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(COc1ccccc1)N[C@@H](c1ccco1)c1c([O-])ccc2ccccc21 ZINC000002921379 204067680 /nfs/dbraw/zinc/06/76/80/204067680.db2.gz XTQQOXQMSXHJKA-QHCPKHFHSA-N -1 3 373.408 4.423 50 10 FICAHM CSc1nnc2c(n1)O[C@@H](c1cc(Cl)ccc1[O-])Nc1ccccc1-2 ZINC000000675677 570447030 /nfs/dbraw/zinc/44/70/30/570447030.db2.gz AEUPKCLKGCMUIM-HNNXBMFYSA-N -1 3 372.837 4.123 50 10 FICAHM CCCC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])ccc2ccccc21 ZINC000000855793 570461171 /nfs/dbraw/zinc/46/11/71/570461171.db2.gz FMXVMBNLDNNXGX-NRFANRHFSA-N -1 3 364.401 4.459 50 10 FICAHM [O-]c1cc(O)ccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000013465506 570777781 /nfs/dbraw/zinc/77/77/81/570777781.db2.gz YTFJVBNKQOIEKG-OXJNMPFZSA-N -1 3 364.426 4.402 50 10 FICAHM CC(C)(C)OC(=O)N1CCN([C@H](c2ccccc2)c2ccccc2[O-])CC1 ZINC000025759800 570999639 /nfs/dbraw/zinc/99/96/39/570999639.db2.gz WFSYGBQBDFJAIJ-HXUWFJFHSA-N -1 3 368.477 4.034 50 10 FICAHM O=C(N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1ccncc1 ZINC000005775210 204224356 /nfs/dbraw/zinc/22/43/56/204224356.db2.gz LTXZTMNEMDYBTF-QFIPXVFZSA-N -1 3 354.409 4.460 50 10 FICAHM O=C(N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1ccncc1 ZINC000005775382 204224594 /nfs/dbraw/zinc/22/45/94/204224594.db2.gz LTXZTMNEMDYBTF-JOCHJYFZSA-N -1 3 354.409 4.460 50 10 FICAHM COc1cccc2c1OC(C)(C)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21 ZINC000006721846 204263080 /nfs/dbraw/zinc/26/30/80/204263080.db2.gz CVLRIRMKOUJVLA-OAHLLOKOSA-N -1 3 358.825 4.334 50 10 FICAHM Cc1cc(C)c2c(n1)sc1c2N[C@@H](c2cc(Cl)ccc2[O-])NC1=O ZINC000012633041 570754883 /nfs/dbraw/zinc/75/48/83/570754883.db2.gz PSUICWNQSPDQTP-OAHLLOKOSA-N -1 3 359.838 4.126 50 10 FICAHM COc1ccc(OC)c(-c2ccc([O-])c(CN(C)[C@H](C)c3ccon3)c2)c1 ZINC000015003863 570828816 /nfs/dbraw/zinc/82/88/16/570828816.db2.gz AEESSBXNYSEXJI-CQSZACIVSA-N -1 3 368.433 4.257 50 10 FICAHM O=[N+]([O-])c1cccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])c1 ZINC000018847056 570878931 /nfs/dbraw/zinc/87/89/31/570878931.db2.gz XJJKLJHRSWOKPT-IBGZPJMESA-N -1 3 372.384 4.445 50 10 FICAHM CCc1cc([C@@H]2CCCN2Cc2cc(Br)ccc2[O-])on1 ZINC000035511259 571076737 /nfs/dbraw/zinc/07/67/37/571076737.db2.gz FQOSEHNRGRCORN-AWEZNQCLSA-N -1 3 351.244 4.042 50 10 FICAHM O=[N+]([O-])c1ccccc1[C@@H](Nc1ccccn1)c1ccc2cccnc2c1[O-] ZINC000004164559 204124546 /nfs/dbraw/zinc/12/45/46/204124546.db2.gz MGFHRDKEEYAVJX-HXUWFJFHSA-N -1 3 372.384 4.445 50 10 FICAHM CCCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1[O-] ZINC000004903373 204174627 /nfs/dbraw/zinc/17/46/27/204174627.db2.gz HANQQPWMPODWNH-FQEVSTJZSA-N -1 3 363.461 4.012 50 10 FICAHM Cc1nc2cc(N=Cc3c(C)[n-]n(-c4cccc(Cl)c4)c3=O)ccc2[nH]1 ZINC000006300087 204243821 /nfs/dbraw/zinc/24/38/21/204243821.db2.gz KZNKNYYQDRCCPZ-YBEGLDIGSA-N -1 3 365.824 4.243 50 10 FICAHM Cc1nc2ccc(N=Cc3c(C)[n-]n(-c4cccc(Cl)c4)c3=O)cc2[nH]1 ZINC000006300087 204243825 /nfs/dbraw/zinc/24/38/25/204243825.db2.gz KZNKNYYQDRCCPZ-YBEGLDIGSA-N -1 3 365.824 4.243 50 10 FICAHM O=C1c2ccccc2N[C@@H](c2cc(Cl)ccc2[O-])N1CC(F)(F)F ZINC000007113456 204289392 /nfs/dbraw/zinc/28/93/92/204289392.db2.gz QXLRBHUXXQRHKT-CQSZACIVSA-N -1 3 356.731 4.174 50 10 FICAHM COc1cccc2c1O[C@@H](CC(C)C)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000006721704 204263815 /nfs/dbraw/zinc/26/38/15/204263815.db2.gz LYLZAEARVQCLCB-PXNSSMCTSA-N -1 3 352.434 4.317 50 10 FICAHM [O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccc(O)cc1 ZINC000006721607 204263912 /nfs/dbraw/zinc/26/39/12/204263912.db2.gz YJSYETDDNGRBCA-UGKGYDQZSA-N -1 3 358.397 4.340 50 10 FICAHM Cc1cc(C(=O)N[C@H](c2ccccc2)c2c([O-])ccc3ccccc32)on1 ZINC000010912946 204402562 /nfs/dbraw/zinc/40/25/62/204402562.db2.gz QMBZJKYWKMKEPP-OAQYLSRUSA-N -1 3 358.397 4.361 50 10 FICAHM [O-]c1ccccc1CN1CCOc2c(O)cc(-c3cccs3)cc2C1 ZINC000055165813 205207719 /nfs/dbraw/zinc/20/77/19/205207719.db2.gz ZVBGSYBENTVYQI-UHFFFAOYSA-N -1 3 353.443 4.221 50 10 FICAHM O=C1N[C@@H](c2ccc3ccccc3c2[O-])Nc2sc3c(c21)CCCC3 ZINC000001221553 206144923 /nfs/dbraw/zinc/14/49/23/206144923.db2.gz HNFHIHKNIXIAOP-GOSISDBHSA-N -1 3 350.443 4.340 50 10 FICAHM CN(Cc1ccccc1)Cc1c([O-])ccc2oc(-c3ccco3)cc(=O)c21 ZINC000004387305 206174929 /nfs/dbraw/zinc/17/49/29/206174929.db2.gz KXWMQSOQPUQDRO-UHFFFAOYSA-N -1 3 361.397 4.391 50 10 FICAHM CC(C)(C)c1ccc(-c2nnc3n2N=C(c2ccccc2[O-])CS3)cc1 ZINC000015017246 570829506 /nfs/dbraw/zinc/82/95/06/570829506.db2.gz UHVBYFBRGMJCHS-UHFFFAOYSA-N -1 3 364.474 4.306 50 10 FICAHM COc1ccc(C(=O)c2coc3ccc([O-])c(CN4CCCCC4)c23)cc1 ZINC000001075152 571145587 /nfs/dbraw/zinc/14/55/87/571145587.db2.gz IIMARUZOQMCQCP-UHFFFAOYSA-N -1 3 365.429 4.364 50 10 biogenic FICAHM COc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000010215840 204001485 /nfs/dbraw/zinc/00/14/85/204001485.db2.gz OAFCRLVMYWIQAY-GCJKJVERSA-N -1 3 373.412 4.038 50 10 FICAHM CC(C)C(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])ccc2ccccc21 ZINC000002872986 204064378 /nfs/dbraw/zinc/06/43/78/204064378.db2.gz PHIORMIWMSGPNH-FQEVSTJZSA-N -1 3 364.401 4.315 50 10 FICAHM O=C(c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[N-]c1ccccc1 ZINC000004433396 204138611 /nfs/dbraw/zinc/13/86/11/204138611.db2.gz DTKVLRBRYZCLBY-UHFFFAOYSA-N -1 3 363.329 4.478 50 10 FICAHM Cc1cnc(C(=O)N[C@@H](c2ccccc2)c2c([O-])ccc3ccccc32)cn1 ZINC000041905057 205093439 /nfs/dbraw/zinc/09/34/39/205093439.db2.gz MTXXAEYUHDPTRP-QFIPXVFZSA-N -1 3 369.424 4.163 50 10 FICAHM O=C1/C(=C/c2cc(Cl)ccc2[O-])SC(=S)N1Cc1ccccc1 ZINC000000986252 206144635 /nfs/dbraw/zinc/14/46/35/206144635.db2.gz NTHSOWKVBRZUIB-DHDCSXOGSA-N -1 3 361.875 4.447 50 10 FICAHM Cc1cc2n(n1)[C@@H](c1cc(Br)ccc1[O-])Nc1ccccc1-2 ZINC000000627847 570440118 /nfs/dbraw/zinc/44/01/18/570440118.db2.gz UMKYCAWCRFXCNS-KRWDZBQOSA-N -1 3 356.223 4.299 50 10 FICAHM [O-]c1c([C@H](c2ccc(Cl)cc2)N2CCOCC2)ccc2cccnc21 ZINC000019681924 570898230 /nfs/dbraw/zinc/89/82/30/570898230.db2.gz KNDLUQLXEIOXLJ-IBGZPJMESA-N -1 3 354.837 4.015 50 10 FICAHM C[C@@H]1CCCN(Cc2c([O-])c(Cl)cc3c4c(c(=O)oc32)CCCC4)C1 ZINC000019912152 570906273 /nfs/dbraw/zinc/90/62/73/570906273.db2.gz UUEGAQAXSCEANP-GFCCVEGCSA-N -1 3 361.869 4.263 50 10 FICAHM O=C(c1coc2ccc([O-])c(CN3CCCCC3)c12)c1ccc(F)cc1 ZINC000253410887 571319959 /nfs/dbraw/zinc/31/99/59/571319959.db2.gz NXGRYSCDCXEIKX-UHFFFAOYSA-N -1 3 353.393 4.494 50 10 FICAHM [O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccc(O)cc1 ZINC000020070645 571327928 /nfs/dbraw/zinc/32/79/28/571327928.db2.gz YJSYETDDNGRBCA-SIKLNZKXSA-N -1 3 358.397 4.340 50 10 FICAHM CCCCC(=O)N[C@@H](c1ccccc1OC)c1ccc2cccnc2c1[O-] ZINC000003894227 204113139 /nfs/dbraw/zinc/11/31/39/204113139.db2.gz PMTOJOBSFYBPBL-NRFANRHFSA-N -1 3 364.445 4.345 50 10 biogenic FICAHM COc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000006721744 204263460 /nfs/dbraw/zinc/26/34/60/204263460.db2.gz HGZPCIWKNALYOI-GCJKJVERSA-N -1 3 373.412 4.038 50 10 FICAHM COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000006721741 204263489 /nfs/dbraw/zinc/26/34/89/204263489.db2.gz IHRLUCBMROBEDS-XMSQKQJNSA-N -1 3 373.412 4.038 50 10 FICAHM Cc1cc(Br)cnc1NCc1cc(Br)ccc1[O-] ZINC000019800864 204708825 /nfs/dbraw/zinc/70/88/25/204708825.db2.gz OLLUNRPGAWJBQA-UHFFFAOYSA-N -1 3 372.060 4.233 50 10 FICAHM [O-]c1ccccc1CN1CCc2nc[nH]c2[C@@H]1c1c(F)cccc1Cl ZINC000067473192 205373753 /nfs/dbraw/zinc/37/37/53/205373753.db2.gz DSQAQHOOEZYUHF-IBGZPJMESA-N -1 3 357.816 4.056 50 10 FICAHM COc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000169681530 206254766 /nfs/dbraw/zinc/25/47/66/206254766.db2.gz IHRLUCBMROBEDS-AVRDEDQJSA-N -1 3 373.412 4.038 50 10 FICAHM COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccccc3)C2)c([O-])c1 ZINC000013122067 570773788 /nfs/dbraw/zinc/77/37/88/570773788.db2.gz CRMIOFQKULWUAD-NRFANRHFSA-N -1 3 372.424 4.392 50 10 FICAHM CCN(CC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)coc21 ZINC000019790383 570902927 /nfs/dbraw/zinc/90/29/27/570902927.db2.gz RJVTWANGWOBKQF-UHFFFAOYSA-N -1 3 353.418 4.016 50 10 biogenic FICAHM CC(C)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1c([O-])ccc2ccccc21 ZINC000000855801 571069400 /nfs/dbraw/zinc/06/94/00/571069400.db2.gz XDKCWAFOHBGELE-QFIPXVFZSA-N -1 3 362.473 4.473 50 10 FICAHM Cc1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c([O-])c1O ZINC000095409304 571329429 /nfs/dbraw/zinc/32/94/29/571329429.db2.gz VTTNWXPWUCKWOM-UHFFFAOYSA-N -1 3 365.351 4.230 50 10 FICAHM CCN(CC)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3OC)coc21 ZINC000020444389 571329509 /nfs/dbraw/zinc/32/95/09/571329509.db2.gz QNCAPCBNURQAKB-UHFFFAOYSA-N -1 3 369.417 4.141 50 10 biogenic FICAHM CCC(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])ccc2ccccc21 ZINC000002873342 204065336 /nfs/dbraw/zinc/06/53/36/204065336.db2.gz VBQKUPPYJZSZNJ-HXUWFJFHSA-N -1 3 350.374 4.069 50 10 FICAHM [O-]c1cc(O)ccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000004349497 204134669 /nfs/dbraw/zinc/13/46/69/204134669.db2.gz YTFJVBNKQOIEKG-JXFKEZNVSA-N -1 3 364.426 4.402 50 10 FICAHM O=C1c2ccccc2N[C@H](c2cc(Cl)ccc2[O-])N1CC(F)(F)F ZINC000007113458 204289628 /nfs/dbraw/zinc/28/96/28/204289628.db2.gz QXLRBHUXXQRHKT-AWEZNQCLSA-N -1 3 356.731 4.174 50 10 FICAHM CCC(=O)N[C@H](c1ccc(OC)cc1)c1cc(Cl)c2cccnc2c1[O-] ZINC000039708023 205047692 /nfs/dbraw/zinc/04/76/92/205047692.db2.gz ARGIYISFLFVNKG-GOSISDBHSA-N -1 3 370.836 4.218 50 10 FICAHM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cccc(Br)c1 ZINC000100148706 206222804 /nfs/dbraw/zinc/22/28/04/206222804.db2.gz LLQHAIPFJVCPNT-MHWRWJLKSA-N -1 3 374.213 4.307 50 10 FICAHM [O-]c1c(CN2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12 ZINC000054104453 136125214 /nfs/dbraw/zinc/12/52/14/136125214.db2.gz KYJSUKDFCORLNT-UHFFFAOYSA-N -1 3 371.843 4.055 50 10 FICAHM CCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1c([O-])ccc2ccccc21 ZINC000000855788 570461151 /nfs/dbraw/zinc/46/11/51/570461151.db2.gz NDJSWWKHGHJKBU-HXUWFJFHSA-N -1 3 350.374 4.069 50 10 FICAHM CCCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1c([O-])ccc2ccccc21 ZINC000000855792 570461241 /nfs/dbraw/zinc/46/12/41/570461241.db2.gz FPZGTODTOZETQY-OAQYLSRUSA-N -1 3 364.401 4.459 50 10 FICAHM O=c1oc2c(cc(Cl)c([O-])c2CNCc2ccccc2F)c2c1CCC2 ZINC000020588485 570920583 /nfs/dbraw/zinc/92/05/83/570920583.db2.gz FLXRQHTZARYBPK-UHFFFAOYSA-N -1 3 373.811 4.070 50 10 FICAHM CCCCC(=O)N[C@H](c1ccccc1OC)c1ccc2cccnc2c1[O-] ZINC000003894228 204113579 /nfs/dbraw/zinc/11/35/79/204113579.db2.gz PMTOJOBSFYBPBL-OAQYLSRUSA-N -1 3 364.445 4.345 50 10 biogenic FICAHM CC(=O)N(c1ccc(C)cc1)c1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC000004016159 204118548 /nfs/dbraw/zinc/11/85/48/204118548.db2.gz HIKHSKOKYCKIMI-UHFFFAOYSA-N -1 3 371.392 4.161 50 10 FICAHM COc1cccc2c1O[C@H](CCSC)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000006721715 204263894 /nfs/dbraw/zinc/26/38/94/204263894.db2.gz PIUNIOGUGVIICW-VQIMIIECSA-N -1 3 370.474 4.024 50 10 FICAHM CCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1c([O-])ccc2ccccc21 ZINC000000855790 206136021 /nfs/dbraw/zinc/13/60/21/206136021.db2.gz YFSKCIHTYVXXLV-JOCHJYFZSA-N -1 3 365.429 4.178 50 10 FICAHM CCC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c([O-])ccc2ccccc21 ZINC000000855787 570461073 /nfs/dbraw/zinc/46/10/73/570461073.db2.gz NDJSWWKHGHJKBU-FQEVSTJZSA-N -1 3 350.374 4.069 50 10 FICAHM Cc1ccnc(NCc2cc(Br)cc(Br)c2[O-])c1 ZINC000018324455 570837428 /nfs/dbraw/zinc/83/74/28/570837428.db2.gz QOMRGHWYXOIFSW-UHFFFAOYSA-N -1 3 372.060 4.233 50 10 FICAHM [O-]c1c([C@@H](c2ccccc2Cl)N2CCOCC2)ccc2cccnc21 ZINC000019681914 570898258 /nfs/dbraw/zinc/89/82/58/570898258.db2.gz TWFDNMVGHYWJHC-LJQANCHMSA-N -1 3 354.837 4.015 50 10 FICAHM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Br)cc1C ZINC000044965556 570904191 /nfs/dbraw/zinc/90/41/91/570904191.db2.gz ZBBPJSPSOOCDSX-WJDWOHSUSA-N -1 3 370.250 4.476 50 10 FICAHM Cc1noc(C)c1[C@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000021720200 570933345 /nfs/dbraw/zinc/93/33/45/570933345.db2.gz AKDDFPNKKLVULS-CQSZACIVSA-N -1 3 351.244 4.097 50 10 FICAHM Cc1c(N[C@@H](C)c2cc(Cl)ccc2[O-])c(=O)n(-c2ccccc2)n1C ZINC000001306470 203998907 /nfs/dbraw/zinc/99/89/07/203998907.db2.gz MLDSDLUHNPQCFG-LBPRGKRZSA-N -1 3 357.841 4.017 50 10 FICAHM CC(=O)Nc1ccc(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)cc1 ZINC000006933223 204282544 /nfs/dbraw/zinc/28/25/44/204282544.db2.gz ACHLJIYMSPMBLD-WQRHYEAKSA-N -1 3 368.824 4.017 50 10 FICAHM COc1cc(OC)c(NCc2cc(Br)ccc2[O-])cc1Cl ZINC000044836265 205111284 /nfs/dbraw/zinc/11/12/84/205111284.db2.gz QCLLEKLYXBESOP-UHFFFAOYSA-N -1 3 372.646 4.437 50 10 FICAHM O=C1N[C@H](c2ccc3ccccc3c2[O-])Nc2sc3c(c21)CCCC3 ZINC000001221554 206145909 /nfs/dbraw/zinc/14/59/09/206145909.db2.gz HNFHIHKNIXIAOP-SFHVURJKSA-N -1 3 350.443 4.340 50 10 FICAHM CCOC(=O)c1c(NCc2cc(Cl)ccc2[O-])sc2c1CCC2 ZINC000000708892 570451646 /nfs/dbraw/zinc/45/16/46/570451646.db2.gz OTEVROLOXLACRV-UHFFFAOYSA-N -1 3 351.855 4.385 50 10 FICAHM CC(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1[O-] ZINC000001197179 570491487 /nfs/dbraw/zinc/49/14/87/570491487.db2.gz HSKCIELZJRQAQU-QGZVFWFLSA-N -1 3 354.837 4.455 50 10 biogenic FICAHM CCOC(=O)[C@@H]1CCCCN1Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC000012078920 570717092 /nfs/dbraw/zinc/71/70/92/570717092.db2.gz DKDBRQAEHVSRBV-IBGZPJMESA-N -1 3 357.425 4.116 50 10 FICAHM COc1ccc([C@H]2CC(c3ccc4ccccc4c3[O-])=NN2C(C)=O)cc1 ZINC000001242630 571044190 /nfs/dbraw/zinc/04/41/90/571044190.db2.gz WXDUZXQBTWUOJS-OAQYLSRUSA-N -1 3 360.413 4.252 50 10 FICAHM O=C(c1ccco1)N1N=C(c2ccccc2[O-])C[C@H]1c1cccc(F)c1 ZINC000089813387 571273437 /nfs/dbraw/zinc/27/34/37/571273437.db2.gz OKLFXMSKXZXZLD-KRWDZBQOSA-N -1 3 350.349 4.116 50 10 FICAHM CC(C)C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c([O-])ccc2ccccc21 ZINC000000855799 570461238 /nfs/dbraw/zinc/46/12/38/570461238.db2.gz MROBCDLTWRYMBK-FQEVSTJZSA-N -1 3 364.401 4.315 50 10 FICAHM O=[N+]([O-])c1ccc([C@@H](Nc2ccccn2)c2c([O-])ccc3ncccc32)cc1 ZINC000015017105 570829655 /nfs/dbraw/zinc/82/96/55/570829655.db2.gz QFNKHPRSUQFBGA-OAQYLSRUSA-N -1 3 372.384 4.445 50 10 FICAHM Cc1c2cc(Cl)c([O-])c(CN(C)C)c2oc(=O)c1Cc1ccccc1 ZINC000019911599 570906449 /nfs/dbraw/zinc/90/64/49/570906449.db2.gz PLWJFQJDRUWHGM-UHFFFAOYSA-N -1 3 357.837 4.113 50 10 aggregator FICAHM Cc1noc(C)c1[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000021720198 570933324 /nfs/dbraw/zinc/93/33/24/570933324.db2.gz AKDDFPNKKLVULS-AWEZNQCLSA-N -1 3 351.244 4.097 50 10 FICAHM COc1ccc(N=Nc2nc[n-]c2C(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000006565349 571209814 /nfs/dbraw/zinc/20/98/14/571209814.db2.gz DTEYVOUVJNVSRL-WCWDXBQESA-N -1 3 365.393 4.403 50 10 FICAHM COc1ccc(N=Nc2[n-]cnc2C(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000006565349 571209815 /nfs/dbraw/zinc/20/98/15/571209815.db2.gz DTEYVOUVJNVSRL-WCWDXBQESA-N -1 3 365.393 4.403 50 10 FICAHM [O-]c1ccccc1[C@@H]1CC(c2ccccc2O)=N[C@@H](c2cccs2)N1 ZINC000080324970 571328920 /nfs/dbraw/zinc/32/89/20/571328920.db2.gz CPBKICZPANHCEX-YWZLYKJASA-N -1 3 350.443 4.382 50 10 FICAHM [O-]c1ccccc1CN1CCCn2cccc2[C@H]1c1cccc(F)c1F ZINC000037523205 208179762 /nfs/dbraw/zinc/17/97/62/208179762.db2.gz VSGVWENQNDCAJR-OAQYLSRUSA-N -1 3 354.400 4.467 50 10 FICAHM [O-]c1ccccc1CN1CCCn2cccc2[C@@H]1c1cccc(F)c1F ZINC000037523204 208179959 /nfs/dbraw/zinc/17/99/59/208179959.db2.gz VSGVWENQNDCAJR-NRFANRHFSA-N -1 3 354.400 4.467 50 10 FICAHM COc1ccccc1[C@@H](NC(=O)CC(C)C)c1ccc2cccnc2c1[O-] ZINC000000801010 568253034 /nfs/dbraw/zinc/25/30/34/568253034.db2.gz LOSBXSIGLJBCRK-OAQYLSRUSA-N -1 3 364.445 4.201 50 10 FICAHM CC(=O)N[C@@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1[O-] ZINC000000869266 570461923 /nfs/dbraw/zinc/46/19/23/570461923.db2.gz MWOGDLJTXTYVOT-INIZCTEOSA-N -1 3 361.228 4.473 50 10 FICAHM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccccc1 ZINC000013549121 570833134 /nfs/dbraw/zinc/83/31/34/570833134.db2.gz ZECOPAYZIUKCCG-WJDWOHSUSA-N -1 3 356.223 4.168 50 10 FICAHM COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1cc(Cl)cc(Cl)c1[O-] ZINC000019874962 570905461 /nfs/dbraw/zinc/90/54/61/570905461.db2.gz LJMWUTCOZPWNMC-MRXNPFEDSA-N -1 3 363.244 4.424 50 10 FICAHM [O-]c1ccc(Br)cc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1 ZINC000020390591 570915143 /nfs/dbraw/zinc/91/51/43/570915143.db2.gz YKZJYNVUIGHAQL-AWEZNQCLSA-N -1 3 351.631 4.247 50 10 FICAHM COc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000227486518 571344694 /nfs/dbraw/zinc/34/46/94/571344694.db2.gz OAFCRLVMYWIQAY-AVRDEDQJSA-N -1 3 373.412 4.038 50 10 FICAHM CC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1[O-] ZINC000000869234 209378180 /nfs/dbraw/zinc/37/81/80/209378180.db2.gz IQDLCSKSBHSKHI-KRWDZBQOSA-N -1 3 361.228 4.473 50 10 FICAHM COc1cccc2c1O[C@@H](CCSC)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000103562956 209254561 /nfs/dbraw/zinc/25/45/61/209254561.db2.gz PIUNIOGUGVIICW-LPHOPBHVSA-N -1 3 370.474 4.024 50 10 FICAHM Cc1cc2n(n1)[C@H](c1cc(Br)ccc1[O-])Nc1ccccc1-2 ZINC000000627849 570439869 /nfs/dbraw/zinc/43/98/69/570439869.db2.gz UMKYCAWCRFXCNS-QGZVFWFLSA-N -1 3 356.223 4.299 50 10 FICAHM CCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1[O-] ZINC000000855576 570461052 /nfs/dbraw/zinc/46/10/52/570461052.db2.gz HANQQPWMPODWNH-HXUWFJFHSA-N -1 3 363.461 4.012 50 10 FICAHM Cc1nc2cc(N=Cc3c(C)[n-]n(-c4ccc(Cl)cc4)c3=O)ccc2[nH]1 ZINC000101128602 570817265 /nfs/dbraw/zinc/81/72/65/570817265.db2.gz SMVWWSHENOXEKT-MHWRWJLKSA-N -1 3 365.824 4.243 50 10 FICAHM Cc1nc2ccc(N=Cc3c(C)[n-]n(-c4ccc(Cl)cc4)c3=O)cc2[nH]1 ZINC000101128602 570817268 /nfs/dbraw/zinc/81/72/68/570817268.db2.gz SMVWWSHENOXEKT-MHWRWJLKSA-N -1 3 365.824 4.243 50 10 FICAHM O=[N+]([O-])c1ccc([C@H](Nc2ccccn2)c2c([O-])ccc3ncccc32)cc1 ZINC000015017104 570829612 /nfs/dbraw/zinc/82/96/12/570829612.db2.gz QFNKHPRSUQFBGA-NRFANRHFSA-N -1 3 372.384 4.445 50 10 FICAHM O=[N+]([O-])c1cccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])c1 ZINC000018847057 570878903 /nfs/dbraw/zinc/87/89/03/570878903.db2.gz XJJKLJHRSWOKPT-LJQANCHMSA-N -1 3 372.384 4.445 50 10 FICAHM [O-]c1c([C@H](c2ccccc2Cl)N2CCOCC2)ccc2cccnc21 ZINC000019681911 570898410 /nfs/dbraw/zinc/89/84/10/570898410.db2.gz TWFDNMVGHYWJHC-IBGZPJMESA-N -1 3 354.837 4.015 50 10 FICAHM O=[N+]([O-])c1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000004138545 207002338 /nfs/dbraw/zinc/00/23/38/207002338.db2.gz MFOMKLVEVRNVMF-LJQANCHMSA-N -1 3 372.384 4.445 50 10 FICAHM COc1cccc2c1O[C@H](CC(C)C)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000006721703 207157560 /nfs/dbraw/zinc/15/75/60/207157560.db2.gz LYLZAEARVQCLCB-FXAWDEMLSA-N -1 3 352.434 4.317 50 10 FICAHM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Br)cc1 ZINC000012547104 207391339 /nfs/dbraw/zinc/39/13/39/207391339.db2.gz VBWRGJHWXLIEHH-WJDWOHSUSA-N -1 3 356.223 4.168 50 10 FICAHM O=C1/C(=C/c2cc(Cl)ccc2[O-])SC(=S)N1Cc1ccco1 ZINC000002816253 570534089 /nfs/dbraw/zinc/53/40/89/570534089.db2.gz BRDLBJNRPWTUSQ-QPEQYQDCSA-N -1 3 351.836 4.040 50 10 FICAHM CC(C)C(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])ccc2ccccc21 ZINC000002872987 570541167 /nfs/dbraw/zinc/54/11/67/570541167.db2.gz PHIORMIWMSGPNH-HXUWFJFHSA-N -1 3 364.401 4.315 50 10 FICAHM Cc1nc2cc(N=Cc3c(C)[n-]n(-c4ccc(Cl)cc4)c3=O)ccc2[nH]1 ZINC000018032868 570806278 /nfs/dbraw/zinc/80/62/78/570806278.db2.gz SMVWWSHENOXEKT-YBEGLDIGSA-N -1 3 365.824 4.243 50 10 FICAHM Cc1nc2ccc(N=Cc3c(C)[n-]n(-c4ccc(Cl)cc4)c3=O)cc2[nH]1 ZINC000018032868 570806281 /nfs/dbraw/zinc/80/62/81/570806281.db2.gz SMVWWSHENOXEKT-YBEGLDIGSA-N -1 3 365.824 4.243 50 10 FICAHM CC(=Nc1ccc(C)cc1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000018250792 570877146 /nfs/dbraw/zinc/87/71/46/570877146.db2.gz GTMXYEXRHVYCNK-QGOAFFKASA-N -1 3 350.378 4.012 50 10 FICAHM CCc1c[nH]nc1C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000067722935 571148991 /nfs/dbraw/zinc/14/89/91/571148991.db2.gz AZWWBAPKIDRUIH-UHFFFAOYSA-N -1 3 354.281 4.364 50 10 FICAHM O=[N+]([O-])c1ccccc1[C@H](Nc1ccccn1)c1ccc2cccnc2c1[O-] ZINC000004164558 207004032 /nfs/dbraw/zinc/00/40/32/207004032.db2.gz MGFHRDKEEYAVJX-FQEVSTJZSA-N -1 3 372.384 4.445 50 10 FICAHM O=C1c2ccccc2C(=O)c2c3nc(-c4c(F)cccc4F)[n-]c3ccc21 ZINC000006315860 207137943 /nfs/dbraw/zinc/13/79/43/207137943.db2.gz HOUAPCILGHMLFD-UHFFFAOYSA-N -1 3 360.319 4.284 50 10 FICAHM [O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccc(O)cc1 ZINC000006721608 207157174 /nfs/dbraw/zinc/15/71/74/207157174.db2.gz YJSYETDDNGRBCA-KNQAVFIVSA-N -1 3 358.397 4.340 50 10 FICAHM [O-]c1ccc(Cl)cc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000053199651 136124768 /nfs/dbraw/zinc/12/47/68/136124768.db2.gz YKZYXYXWCSUFHS-UHFFFAOYSA-N -1 3 370.802 4.387 50 10 FICAHM [O-]c1ccc(Cl)cc1C1=NN[C@@H](c2ccc(Br)cc2)C1 ZINC000001183006 570489960 /nfs/dbraw/zinc/48/99/60/570489960.db2.gz JBAJCNIIEZQOCL-CYBMUJFWSA-N -1 3 351.631 4.247 50 10 FICAHM COc1ccc(OC)c(-c2ccc([O-])c(CN(C)[C@@H](C)c3ccon3)c2)c1 ZINC000015003860 570828946 /nfs/dbraw/zinc/82/89/46/570828946.db2.gz AEESSBXNYSEXJI-AWEZNQCLSA-N -1 3 368.433 4.257 50 10 FICAHM COc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000100950476 209220458 /nfs/dbraw/zinc/22/04/58/209220458.db2.gz IHRLUCBMROBEDS-GCJKJVERSA-N -1 3 373.412 4.038 50 10 FICAHM CSc1nnc2c(n1)O[C@H](c1cc(Cl)ccc1[O-])Nc1ccccc1-2 ZINC000000675675 206824190 /nfs/dbraw/zinc/82/41/90/206824190.db2.gz AEUPKCLKGCMUIM-OAHLLOKOSA-N -1 3 372.837 4.123 50 10 FICAHM CC(C)C(=O)N[C@@H](c1ccccc1Cl)c1ccc2cccnc2c1[O-] ZINC000000855785 570461222 /nfs/dbraw/zinc/46/12/22/570461222.db2.gz FPISIVZHARXNRT-SFHVURJKSA-N -1 3 354.837 4.455 50 10 biogenic FICAHM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc(Br)c1 ZINC000013282652 570776035 /nfs/dbraw/zinc/77/60/35/570776035.db2.gz LPJKFZQZJHGZFR-LFIBNONCSA-N -1 3 356.223 4.168 50 10 FICAHM Cc1cccc(NCc2cc(Br)cc(Br)c2[O-])n1 ZINC000018137905 570812939 /nfs/dbraw/zinc/81/29/39/570812939.db2.gz KWAUINMDFHNEGU-UHFFFAOYSA-N -1 3 372.060 4.233 50 10 FICAHM CC[C@H]1CCCCN1Cc1c([O-])c(Cl)cc2c3c(c(=O)oc21)CCC3 ZINC000019800090 570903317 /nfs/dbraw/zinc/90/33/17/570903317.db2.gz VCXSXTMYAMILCR-LBPRGKRZSA-N -1 3 361.869 4.405 50 10 FICAHM CCOc1ccc([C@H](NC(C)=O)c2cc(Cl)c3cccnc3c2[O-])cc1 ZINC000000890475 571123882 /nfs/dbraw/zinc/12/38/82/571123882.db2.gz NUBJPBXOELHIDI-SFHVURJKSA-N -1 3 370.836 4.218 50 10 FICAHM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cccc(C)c1 ZINC000004596793 207031314 /nfs/dbraw/zinc/03/13/14/207031314.db2.gz XOJTUYIMDOKXQS-GZTJUZNOSA-N -1 3 370.250 4.476 50 10 FICAHM O=C(c1ccco1)N1N=C(c2ccccc2[O-])C[C@@H]1c1ccc(F)cc1 ZINC000004942486 207065808 /nfs/dbraw/zinc/06/58/08/207065808.db2.gz OGPLPYFKRGUHSF-QGZVFWFLSA-N -1 3 350.349 4.116 50 10 FICAHM O=C(c1cc(F)ccc1F)[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000012094500 207338214 /nfs/dbraw/zinc/33/82/14/207338214.db2.gz YIKXTQDHQZHFCC-GFCCVEGCSA-N -1 3 365.807 4.419 50 10 FICAHM CC(=O)N[C@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1[O-] ZINC000000869267 570461942 /nfs/dbraw/zinc/46/19/42/570461942.db2.gz MWOGDLJTXTYVOT-MRXNPFEDSA-N -1 3 361.228 4.473 50 10 FICAHM O=C1Nc2ccccc2[C@@H]1N1N=C(c2ccccc2)C[C@@H]1c1ccccc1[O-] ZINC000109795008 571073581 /nfs/dbraw/zinc/07/35/81/571073581.db2.gz KCDJZJWQYXQECB-IRLDBZIGSA-N -1 3 369.424 4.237 50 10 FICAHM CC[C@H](c1cc(Br)ccc1[O-])N(C)Cc1c(C)noc1C ZINC000170601052 571266923 /nfs/dbraw/zinc/26/69/23/571266923.db2.gz QBPBSZFAOMBDIW-OAHLLOKOSA-N -1 3 353.260 4.343 50 10 FICAHM O=c1c(C=Nc2cccc(C(F)(F)F)c2)c[n-]n1-c1cccc(Cl)n1 ZINC000100408035 209213428 /nfs/dbraw/zinc/21/34/28/209213428.db2.gz QYLKJUWLDZNZML-NTMALXAHSA-N -1 3 366.730 4.082 50 10 FICAHM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cccc(Br)c1 ZINC000100040919 209206966 /nfs/dbraw/zinc/20/69/66/209206966.db2.gz XTUVLXJHROHSBH-BOPFTXTBSA-N -1 3 370.250 4.476 50 10 FICAHM CCC(=O)N[C@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1[O-] ZINC000000869275 570462438 /nfs/dbraw/zinc/46/24/38/570462438.db2.gz HLJCTESVUQYBST-GOSISDBHSA-N -1 3 370.836 4.218 50 10 FICAHM CCC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])ccc2ccccc21 ZINC000002873341 570541336 /nfs/dbraw/zinc/54/13/36/570541336.db2.gz VBQKUPPYJZSZNJ-FQEVSTJZSA-N -1 3 350.374 4.069 50 10 FICAHM Cc1cc(C)c2c(n1)sc1c2N[C@H](c2cc(Cl)ccc2[O-])NC1=O ZINC000012633043 570755070 /nfs/dbraw/zinc/75/50/70/570755070.db2.gz PSUICWNQSPDQTP-HNNXBMFYSA-N -1 3 359.838 4.126 50 10 FICAHM [O-]c1c([C@H](Nc2ccccn2)c2ccc3c(c2)OCO3)ccc2cccnc21 ZINC000013062699 570772938 /nfs/dbraw/zinc/77/29/38/570772938.db2.gz FLMWXEBHNKXLCZ-HXUWFJFHSA-N -1 3 371.396 4.266 50 10 FICAHM [O-]c1cc2[nH]c3ccccc3c2cc1CN1CCN(Cc2ccccc2)CC1 ZINC000022788000 570950038 /nfs/dbraw/zinc/95/00/38/570950038.db2.gz HYDLNCSXKHUSGC-UHFFFAOYSA-N -1 3 371.484 4.345 50 10 FICAHM [O-]c1c([C@H](Nc2ncccc2O)c2ccc(F)cc2)ccc2cccnc12 ZINC000049691375 570965303 /nfs/dbraw/zinc/96/53/03/570965303.db2.gz KEVPETOESFEUOT-GOSISDBHSA-N -1 3 361.376 4.382 50 10 FICAHM [O-]c1c([C@H](Nc2ncccc2O)c2ccccc2F)ccc2cccnc12 ZINC000049672792 570965465 /nfs/dbraw/zinc/96/54/65/570965465.db2.gz VKJFUARZCMVVPG-LJQANCHMSA-N -1 3 361.376 4.382 50 10 FICAHM Cc1ccc([N-]C(=S)NC(=O)c2ccccc2)c(C(=O)c2ccccc2)c1 ZINC000004058856 571209910 /nfs/dbraw/zinc/20/99/10/571209910.db2.gz TXMRQXMDQGXLOB-UHFFFAOYSA-N -1 3 374.465 4.353 50 10 FICAHM CCN(CC)Cc1c([O-])ccc2c(=O)c(-c3ccc(OC)cc3)coc21 ZINC000020412045 210235112 /nfs/dbraw/zinc/23/51/12/210235112.db2.gz KNRXSTDMMKZVFR-UHFFFAOYSA-N -1 3 353.418 4.016 50 10 biogenic FICAHM [O-]c1ccc(Br)cc1C1=NN[C@@H](c2ccc(Cl)cc2)C1 ZINC000001463803 210227917 /nfs/dbraw/zinc/22/79/17/210227917.db2.gz QCGIKSHXQFUAIB-CYBMUJFWSA-N -1 3 351.631 4.247 50 10 FICAHM [O-]c1ccc(Br)cc1C1=NN[C@@H](c2ccccc2Cl)C1 ZINC000001454638 210224454 /nfs/dbraw/zinc/22/44/54/210224454.db2.gz GNZYPZHXJPPMIJ-CYBMUJFWSA-N -1 3 351.631 4.247 50 10 FICAHM CC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1[O-] ZINC000000869235 219334782 /nfs/dbraw/zinc/33/47/82/219334782.db2.gz IQDLCSKSBHSKHI-QGZVFWFLSA-N -1 3 361.228 4.473 50 10 FICAHM CCc1onc(C)c1[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000021720846 211322015 /nfs/dbraw/zinc/32/20/15/211322015.db2.gz YDUIBDIZSJQILL-AWEZNQCLSA-N -1 3 365.271 4.351 50 10 FICAHM CN(Cc1ccon1)Cc1cc(-c2nc3ccccc3s2)ccc1[O-] ZINC000015072708 211119338 /nfs/dbraw/zinc/11/93/38/211119338.db2.gz KGSHTLMUJKULOA-UHFFFAOYSA-N -1 3 351.431 4.289 50 10 FICAHM COc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000013122068 211024212 /nfs/dbraw/zinc/02/42/12/211024212.db2.gz CRMIOFQKULWUAD-OAQYLSRUSA-N -1 3 372.424 4.392 50 10 FICAHM [O-]c1c([C@@H](Nc2ccccn2)c2ccc3c(c2)OCO3)ccc2cccnc21 ZINC000013062698 211022060 /nfs/dbraw/zinc/02/20/60/211022060.db2.gz FLMWXEBHNKXLCZ-FQEVSTJZSA-N -1 3 371.396 4.266 50 10 FICAHM [O-]c1c(O)c(O)ccc1-c1n[nH]c(C(F)(F)F)c1Oc1ccccc1 ZINC000004755668 210561745 /nfs/dbraw/zinc/56/17/45/210561745.db2.gz QFQHMNFORHZWSG-UHFFFAOYSA-N -1 3 352.268 4.005 50 10 FICAHM Cc1c(N[C@H](C)c2cc(Cl)ccc2[O-])c(=O)n(-c2ccccc2)n1C ZINC000001306471 210341227 /nfs/dbraw/zinc/34/12/27/210341227.db2.gz MLDSDLUHNPQCFG-GFCCVEGCSA-N -1 3 357.841 4.017 50 10 FICAHM COc1cc(Cl)cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c1[O-] ZINC000000995184 210300321 /nfs/dbraw/zinc/30/03/21/210300321.db2.gz FUEVYCYBGSCYIY-NVNXTCNLSA-N -1 3 359.834 4.424 50 10 FICAHM COc1cc(NCc2cc(Br)ccc2[O-])c(OC)cc1Cl ZINC000044836267 571102241 /nfs/dbraw/zinc/10/22/41/571102241.db2.gz BNLSXXVKRNDAQM-UHFFFAOYSA-N -1 3 372.646 4.437 50 10 FICAHM O=C1N=C(Nc2cccc(C(F)(F)F)c2)SC1=Cc1ccc([O-])cc1 ZINC000035644267 210245002 /nfs/dbraw/zinc/24/50/02/210245002.db2.gz KKOBRARPHWRVFQ-RIYZIHGNSA-N -1 3 364.348 4.493 50 10 FICAHM CCN(CC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)c(C)oc21 ZINC000006937818 210230372 /nfs/dbraw/zinc/23/03/72/210230372.db2.gz VBGUHEWZVPYVDR-UHFFFAOYSA-N -1 3 367.445 4.324 50 10 biogenic FICAHM CCCc1cc([C@@H]2CCCN2Cc2cc(Br)ccc2[O-])no1 ZINC000021720193 211323465 /nfs/dbraw/zinc/32/34/65/211323465.db2.gz ZFJMXKHSKHVKFY-INIZCTEOSA-N -1 3 365.271 4.432 50 10 FICAHM COc1cccc2c1O[C@H](CCSC)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000020070937 211266736 /nfs/dbraw/zinc/26/67/36/211266736.db2.gz PIUNIOGUGVIICW-QFBILLFUSA-N -1 3 370.474 4.024 50 10 FICAHM Cc1[nH]c2ccccc2c1[C@H](c1cc(Cl)ccc1[O-])N1CCOCC1 ZINC000019581668 211238598 /nfs/dbraw/zinc/23/85/98/211238598.db2.gz GSYUMYRERJFRPI-FQEVSTJZSA-N -1 3 356.853 4.257 50 10 FICAHM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cccc(Br)c1 ZINC000015134051 211123781 /nfs/dbraw/zinc/12/37/81/211123781.db2.gz XTUVLXJHROHSBH-GZTJUZNOSA-N -1 3 370.250 4.476 50 10 FICAHM O=C(Cc1ccccc1)N[C@@H](c1ccccc1)c1ccc2cccnc2c1[O-] ZINC000000970913 210297172 /nfs/dbraw/zinc/29/71/72/210297172.db2.gz UFBVIJHBWGURQK-QFIPXVFZSA-N -1 3 368.436 4.389 50 10 biogenic FICAHM O=C1Nc2ccccc2[C@@H]1N1N=C(c2ccccc2)C[C@H]1c1ccccc1[O-] ZINC000109795004 571073588 /nfs/dbraw/zinc/07/35/88/571073588.db2.gz KCDJZJWQYXQECB-UNMCSNQZSA-N -1 3 369.424 4.237 50 10 FICAHM CC(=O)Nc1cccc(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)c1 ZINC000006796060 571246781 /nfs/dbraw/zinc/24/67/81/571246781.db2.gz BYSYOXMUSZDDKU-WQRHYEAKSA-N -1 3 368.824 4.017 50 10 FICAHM COc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000169681533 571247187 /nfs/dbraw/zinc/24/71/87/571247187.db2.gz HGZPCIWKNALYOI-PGRDOPGGSA-N -1 3 373.412 4.038 50 10 FICAHM O=[N+]([O-])c1ccccc1[C@H]1c2cccn2CCCN1Cc1ccccc1[O-] ZINC000036347815 571249111 /nfs/dbraw/zinc/24/91/11/571249111.db2.gz ZXBGCRLKMOZJTR-NRFANRHFSA-N -1 3 363.417 4.097 50 10 FICAHM O=C1c2ccccc2N[C@H](c2cc(O)c([O-])c(Cl)c2)N1Cc1ccco1 ZINC000007113022 571261101 /nfs/dbraw/zinc/26/11/01/571261101.db2.gz RIJZDGZYWLJQNQ-SFHVURJKSA-N -1 3 370.792 4.111 50 10 FICAHM [O-]c1ccccc1[C@H]1CC(c2ccccc2O)=N[C@H](c2cccs2)N1 ZINC000080324967 571328913 /nfs/dbraw/zinc/32/89/13/571328913.db2.gz CPBKICZPANHCEX-FOIQADDNSA-N -1 3 350.443 4.382 50 10 FICAHM CSc1ccccc1NC(=O)CN(C)Cc1c([O-])ccc2ccccc21 ZINC000003358268 571348306 /nfs/dbraw/zinc/34/83/06/571348306.db2.gz ZAYABVAFTXNSHK-UHFFFAOYSA-N -1 3 366.486 4.338 50 10 FICAHM CN(Cc1nnc(-c2ccccc2)o1)Cc1cc(-c2ccccn2)ccc1[O-] ZINC000011788526 1125112980 /nfs/dbraw/zinc/11/29/80/1125112980.db2.gz RDUNWBUBHCHMLV-UHFFFAOYSA-N -1 3 372.428 4.136 50 10 FICAHM COc1ccccc1-c1c(C)oc2c(ccc([O-])c2CN2CCCC2)c1=O ZINC000020411836 210236187 /nfs/dbraw/zinc/23/61/87/210236187.db2.gz AIBWKMUAMCCHKN-UHFFFAOYSA-N -1 3 365.429 4.078 50 10 biogenic FICAHM CCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1c([O-])ccc2ccccc21 ZINC000000855789 219332392 /nfs/dbraw/zinc/33/23/92/219332392.db2.gz YFSKCIHTYVXXLV-QFIPXVFZSA-N -1 3 365.429 4.178 50 10 FICAHM CCc1cc(=O)oc2c1cc(Cl)c([O-])c2CNCc1ccccc1F ZINC000020573724 211287771 /nfs/dbraw/zinc/28/77/71/211287771.db2.gz XGICBRQJRLPVNY-UHFFFAOYSA-N -1 3 361.800 4.143 50 10 FICAHM CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCCC2)c1[O-] ZINC000011867307 570710205 /nfs/dbraw/zinc/71/02/05/570710205.db2.gz QBYKTMGARPJPIU-UHFFFAOYSA-N -1 3 370.474 4.089 50 10 FICAHM [O-]c1c([C@@H](Nc2ncccc2O)c2ccccc2F)ccc2cccnc12 ZINC000049672790 570965572 /nfs/dbraw/zinc/96/55/72/570965572.db2.gz VKJFUARZCMVVPG-IBGZPJMESA-N -1 3 361.376 4.382 50 10 FICAHM CCN(CC(=O)NC(C)(C)C)Cc1c(C)c(Cl)cc(C(C)C)c1[O-] ZINC000009753211 571118916 /nfs/dbraw/zinc/11/89/16/571118916.db2.gz UNWIUPFLLGMTKJ-UHFFFAOYSA-N -1 3 354.922 4.214 50 10 FICAHM COCCn1c(-c2ccccc2)cnc1NCc1cc(Cl)ccc1[O-] ZINC000004679209 571158884 /nfs/dbraw/zinc/15/88/84/571158884.db2.gz IDCLJNGFRVHFRN-UHFFFAOYSA-N -1 3 357.841 4.168 50 10 FICAHM COc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000006721743 571243587 /nfs/dbraw/zinc/24/35/87/571243587.db2.gz HGZPCIWKNALYOI-XMSQKQJNSA-N -1 3 373.412 4.038 50 10 FICAHM CCCc1cc([C@H]2CCCN2Cc2cc(Br)ccc2[O-])no1 ZINC000021720195 211323024 /nfs/dbraw/zinc/32/30/24/211323024.db2.gz ZFJMXKHSKHVKFY-MRXNPFEDSA-N -1 3 365.271 4.432 50 10 FICAHM CCCCN(C)Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)coc21 ZINC000019790396 211256086 /nfs/dbraw/zinc/25/60/86/211256086.db2.gz IPLVKLGFQZNJFO-UHFFFAOYSA-N -1 3 367.445 4.406 50 10 biogenic FICAHM O=C1Nc2ccccc2[C@H]1N1N=C(c2ccccc2)C[C@H]1c1ccccc1[O-] ZINC000096318991 222115177 /nfs/dbraw/zinc/11/51/77/222115177.db2.gz KCDJZJWQYXQECB-RBBKRZOGSA-N -1 3 369.424 4.237 50 10 FICAHM COc1ccc(OC)c(-c2ccc([O-])c(CN(C)Cc3cscn3)c2)c1 ZINC000011881149 1125412840 /nfs/dbraw/zinc/41/28/40/1125412840.db2.gz CAJBVMBWBCWYNS-UHFFFAOYSA-N -1 3 370.474 4.165 50 10 FICAHM CC1CCN(Cc2c([O-])c(Cl)cc3c4c(c(=O)oc32)CCCC4)CC1 ZINC000019789547 211254874 /nfs/dbraw/zinc/25/48/74/211254874.db2.gz GNAITWMWEIEHJP-UHFFFAOYSA-N -1 3 361.869 4.263 50 10 FICAHM COc1ccccc1[C@H](NC(=O)CC(C)C)c1ccc2cccnc2c1[O-] ZINC000000801009 210272801 /nfs/dbraw/zinc/27/28/01/210272801.db2.gz LOSBXSIGLJBCRK-NRFANRHFSA-N -1 3 364.445 4.201 50 10 FICAHM Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1ccccc1[O-])CCO2 ZINC000067867411 221296846 /nfs/dbraw/zinc/29/68/46/221296846.db2.gz ZEWXCMAPULZHRO-UHFFFAOYSA-N -1 3 361.441 4.468 50 10 FICAHM Cc1nc2cc(N=Cc3c(C)[n-]n(-c4ccc(C)c(C)c4)c3=O)ccc2[nH]1 ZINC000005446345 570656720 /nfs/dbraw/zinc/65/67/20/570656720.db2.gz YKFQAACXEATAEV-WQRHYEAKSA-N -1 3 359.433 4.207 50 10 FICAHM Cc1nc2ccc(N=Cc3c(C)[n-]n(-c4ccc(C)c(C)c4)c3=O)cc2[nH]1 ZINC000005446345 570656724 /nfs/dbraw/zinc/65/67/24/570656724.db2.gz YKFQAACXEATAEV-WQRHYEAKSA-N -1 3 359.433 4.207 50 10 FICAHM CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN(CC)CC)c1[O-] ZINC000005556936 570671818 /nfs/dbraw/zinc/67/18/18/570671818.db2.gz JZBFYFPQCQVBRP-UHFFFAOYSA-N -1 3 372.490 4.335 50 10 FICAHM CCCCC(=O)N[C@H](c1ccc(OC)cc1)c1ccc2cccnc2c1[O-] ZINC000003894231 571188518 /nfs/dbraw/zinc/18/85/18/571188518.db2.gz LKSBKMAJHSOYQS-HXUWFJFHSA-N -1 3 364.445 4.345 50 10 biogenic FICAHM COc1cccc2c1OC1(CCCC1)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000006721830 571243571 /nfs/dbraw/zinc/24/35/71/571243571.db2.gz SOBMXGSAWAPJOI-KRWDZBQOSA-N -1 3 350.418 4.215 50 10 FICAHM COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000169681531 571247121 /nfs/dbraw/zinc/24/71/21/571247121.db2.gz IHRLUCBMROBEDS-PGRDOPGGSA-N -1 3 373.412 4.038 50 10 FICAHM O=c1cc(-c2ccccc2)c2cc(Cl)c([O-])c(CN3CCCC3)c2o1 ZINC000019789545 211255186 /nfs/dbraw/zinc/25/51/86/211255186.db2.gz HGNLVJWTGXQAPW-UHFFFAOYSA-N -1 3 355.821 4.415 50 10 FICAHM COc1ccc([N+](=O)[O-])cc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=S ZINC000013590188 211042334 /nfs/dbraw/zinc/04/23/34/211042334.db2.gz FDRXODQFYSDOMG-PTNGSMBKSA-N -1 3 368.418 4.123 50 10 FICAHM COc1ccc([C@@H]2CC(c3ccc4ccccc4c3[O-])=NN2C(C)=O)cc1 ZINC000001242631 210338784 /nfs/dbraw/zinc/33/87/84/210338784.db2.gz WXDUZXQBTWUOJS-NRFANRHFSA-N -1 3 360.413 4.252 50 10 FICAHM CCOc1ccc([C@@H](NC(C)=O)c2cc(Cl)c3cccnc3c2[O-])cc1 ZINC000000890477 210286682 /nfs/dbraw/zinc/28/66/82/210286682.db2.gz NUBJPBXOELHIDI-GOSISDBHSA-N -1 3 370.836 4.218 50 10 FICAHM O=C(COc1ccccc1)N[C@H](c1ccco1)c1c([O-])ccc2ccccc21 ZINC000002921380 570544525 /nfs/dbraw/zinc/54/45/25/570544525.db2.gz XTQQOXQMSXHJKA-HSZRJFAPSA-N -1 3 373.408 4.423 50 10 FICAHM COc1cccc2c1O[C@@H](CC(C)C)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000103562892 570851364 /nfs/dbraw/zinc/85/13/64/570851364.db2.gz LYLZAEARVQCLCB-XLIONFOSSA-N -1 3 352.434 4.317 50 10 FICAHM COc1cc(Cl)cc(/C=C2/SC(c3ccc(C)cc3)=NC2=O)c1[O-] ZINC000033288700 571230100 /nfs/dbraw/zinc/23/01/00/571230100.db2.gz FUEVYCYBGSCYIY-OVCLIPMQSA-N -1 3 359.834 4.424 50 10 FICAHM COc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000227486524 571344715 /nfs/dbraw/zinc/34/47/15/571344715.db2.gz OAFCRLVMYWIQAY-PGRDOPGGSA-N -1 3 373.412 4.038 50 10 FICAHM [O-]c1ccc(Br)cc1C1=NN[C@H](c2ccccc2Cl)C1 ZINC000001454639 210225754 /nfs/dbraw/zinc/22/57/54/210225754.db2.gz GNZYPZHXJPPMIJ-ZDUSSCGKSA-N -1 3 351.631 4.247 50 10 FICAHM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)c(C(C)C)c2)cc1 ZINC000000947572 219345485 /nfs/dbraw/zinc/34/54/85/219345485.db2.gz BJANVSFKUSJUCI-UHFFFAOYSA-N -1 3 363.479 4.448 50 10 FICAHM COc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000010215833 210344980 /nfs/dbraw/zinc/34/49/80/210344980.db2.gz OAFCRLVMYWIQAY-XMSQKQJNSA-N -1 3 373.412 4.038 50 10 FICAHM COc1cccc(C(=O)c2coc3ccc([O-])c(CN4CCCCC4)c23)c1 ZINC000604419597 568276616 /nfs/dbraw/zinc/27/66/16/568276616.db2.gz NYUUARPOJLMPGB-UHFFFAOYSA-N -1 3 365.429 4.364 50 10 FICAHM COc1cccc2c1O[C@H](CC(C)C)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000020070927 571327873 /nfs/dbraw/zinc/32/78/73/571327873.db2.gz LYLZAEARVQCLCB-YLJYHZDGSA-N -1 3 352.434 4.317 50 10 FICAHM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cccc(Br)c1 ZINC000015930651 211150306 /nfs/dbraw/zinc/15/03/06/211150306.db2.gz LLQHAIPFJVCPNT-YBEGLDIGSA-N -1 3 374.213 4.307 50 10 FICAHM [O-]c1cc(O)ccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000013465508 211033705 /nfs/dbraw/zinc/03/37/05/211033705.db2.gz YTFJVBNKQOIEKG-OXQOHEQNSA-N -1 3 364.426 4.402 50 10 FICAHM CC(C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1[O-] ZINC000001197177 210333603 /nfs/dbraw/zinc/33/36/03/210333603.db2.gz HSKCIELZJRQAQU-KRWDZBQOSA-N -1 3 354.837 4.455 50 10 biogenic FICAHM CC(C)C(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1c([O-])ccc2ccccc21 ZINC000000855800 210282161 /nfs/dbraw/zinc/28/21/61/210282161.db2.gz MROBCDLTWRYMBK-HXUWFJFHSA-N -1 3 364.401 4.315 50 10 FICAHM CCCSc1nnc2c(n1)O[C@@H](c1ccccc1[O-])Nc1ccccc1-2 ZINC000005127935 570621580 /nfs/dbraw/zinc/62/15/80/570621580.db2.gz DUABCPAPKQVPKV-KRWDZBQOSA-N -1 3 366.446 4.249 50 10 FICAHM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccccc1 ZINC000101114258 570816673 /nfs/dbraw/zinc/81/66/73/570816673.db2.gz ZECOPAYZIUKCCG-LFIBNONCSA-N -1 3 356.223 4.168 50 10 FICAHM Cc1nc2cc(N=Cc3c(C)[n-]n(-c4ccc(C)cc4C)c3=O)ccc2[nH]1 ZINC000105486187 570872792 /nfs/dbraw/zinc/87/27/92/570872792.db2.gz LCPPOJRYYICCIE-BOPFTXTBSA-N -1 3 359.433 4.207 50 10 FICAHM Cc1nc2ccc(N=Cc3c(C)[n-]n(-c4ccc(C)cc4C)c3=O)cc2[nH]1 ZINC000105486187 570872795 /nfs/dbraw/zinc/87/27/95/570872795.db2.gz LCPPOJRYYICCIE-BOPFTXTBSA-N -1 3 359.433 4.207 50 10 FICAHM CC(C)(C)OC(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2[O-])CC1 ZINC000025759796 570999657 /nfs/dbraw/zinc/99/96/57/570999657.db2.gz WFSYGBQBDFJAIJ-FQEVSTJZSA-N -1 3 368.477 4.034 50 10 FICAHM O=[N+]([O-])c1cccc([C@H]2c3cccn3CCCN2Cc2ccccc2[O-])c1 ZINC000036347322 571248544 /nfs/dbraw/zinc/24/85/44/571248544.db2.gz XNEGLLIINOFOBU-NRFANRHFSA-N -1 3 363.417 4.097 50 10 FICAHM CCCCC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc2cccnc2c1[O-] ZINC000003894230 571292816 /nfs/dbraw/zinc/29/28/16/571292816.db2.gz LKSBKMAJHSOYQS-FQEVSTJZSA-N -1 3 364.445 4.345 50 10 biogenic FICAHM [O-]c1ccccc1[C@H]1CC(c2ccccc2O)=N[C@@H](c2cccs2)N1 ZINC000080324976 571328909 /nfs/dbraw/zinc/32/89/09/571328909.db2.gz CPBKICZPANHCEX-QRWLVFNGSA-N -1 3 350.443 4.382 50 10 FICAHM COc1ccc2ccc([O-])c(CN3CCc4ccc([N+](=O)[O-])cc43)c2c1 ZINC000095954770 571332874 /nfs/dbraw/zinc/33/28/74/571332874.db2.gz XFSQXLZJMFAHEG-UHFFFAOYSA-N -1 3 350.374 4.025 50 10 FICAHM O=C(Cc1ccccc1)N[C@H](c1ccccc1)c1ccc2cccnc2c1[O-] ZINC000000970914 219347547 /nfs/dbraw/zinc/34/75/47/219347547.db2.gz UFBVIJHBWGURQK-JOCHJYFZSA-N -1 3 368.436 4.389 50 10 biogenic FICAHM CC(=O)Nc1cccc(N=Cc2c(C)[n-]n(-c3ccc(Cl)cc3)c2=O)c1 ZINC000015930253 220172152 /nfs/dbraw/zinc/17/21/52/220172152.db2.gz XROKQRCVFFATQC-WQRHYEAKSA-N -1 3 368.824 4.017 50 10 FICAHM Cc1[nH]c2ccccc2c1[C@@H](c1cc(Cl)ccc1[O-])N1CCOCC1 ZINC000019581671 220276734 /nfs/dbraw/zinc/27/67/34/220276734.db2.gz GSYUMYRERJFRPI-HXUWFJFHSA-N -1 3 356.853 4.257 50 10 FICAHM [O-]c1ccc(Br)cc1[C@H]1CC(c2ccc(Cl)cc2)=NN1 ZINC000020390595 220326120 /nfs/dbraw/zinc/32/61/20/220326120.db2.gz YKZJYNVUIGHAQL-CQSZACIVSA-N -1 3 351.631 4.247 50 10 FICAHM CCc1onc(C)c1[C@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000021720848 220364797 /nfs/dbraw/zinc/36/47/97/220364797.db2.gz YDUIBDIZSJQILL-CQSZACIVSA-N -1 3 365.271 4.351 50 10 FICAHM COc1ccccc1C(C)(C)NCc1cccc(Br)c1[O-] ZINC000097001080 222149748 /nfs/dbraw/zinc/14/97/48/222149748.db2.gz ONBSXDGEHGDQKL-UHFFFAOYSA-N -1 3 350.256 4.188 50 10 FICAHM O=C(NCC(F)(F)F)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000043232079 570664500 /nfs/dbraw/zinc/66/45/00/570664500.db2.gz HFSJQMAYBYAQKL-SFHVURJKSA-N -1 3 374.362 4.496 50 10 FICAHM [O-]c1c(CN2CCN(c3ccccc3O)CC2)cc(Cl)c2ccccc12 ZINC000015250741 570836427 /nfs/dbraw/zinc/83/64/27/570836427.db2.gz VBBHFYJJZZVBSP-UHFFFAOYSA-N -1 3 368.864 4.227 50 10 FICAHM CC(C)(C)OC(=O)N1CCN([C@H](c2cccs2)c2ccccc2[O-])CC1 ZINC000025760493 571000068 /nfs/dbraw/zinc/00/00/68/571000068.db2.gz OTBBWUHOHOVTFB-SFHVURJKSA-N -1 3 374.506 4.096 50 10 FICAHM COc1cccc2c1O[C@@H](CCSC)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000006721716 571243593 /nfs/dbraw/zinc/24/35/93/571243593.db2.gz PIUNIOGUGVIICW-APWZRJJASA-N -1 3 370.474 4.024 50 10 FICAHM CCCC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c([O-])ccc2ccccc21 ZINC000000855791 219331850 /nfs/dbraw/zinc/33/18/50/219331850.db2.gz FPZGTODTOZETQY-NRFANRHFSA-N -1 3 364.401 4.459 50 10 FICAHM CC(=Nc1ccc(Cl)cc1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000018250793 220229453 /nfs/dbraw/zinc/22/94/53/220229453.db2.gz BRBJDXUMSRSMBR-GZTJUZNOSA-N -1 3 370.796 4.357 50 10 FICAHM Cc1oc2c(C)c([O-])c(CN(C)C)cc2c(=O)c1Oc1ccccc1F ZINC000000624127 570439200 /nfs/dbraw/zinc/43/92/00/570439200.db2.gz GYMRJVYZMQNMGS-UHFFFAOYSA-N -1 3 357.381 4.108 50 10 FICAHM [O-]c1ccccc1[C@@H]1CC(c2ccccc2O)=N[C@H](c2cccs2)N1 ZINC000080324962 570634849 /nfs/dbraw/zinc/63/48/49/570634849.db2.gz CPBKICZPANHCEX-MGPUTAFESA-N -1 3 350.443 4.382 50 10 FICAHM Cc1cc(C(=O)N[C@@H](c2ccccc2)c2c([O-])ccc3ccccc32)on1 ZINC000010912943 570965083 /nfs/dbraw/zinc/96/50/83/570965083.db2.gz QMBZJKYWKMKEPP-NRFANRHFSA-N -1 3 358.397 4.361 50 10 FICAHM CCc1cc2c(C)cc(=O)oc2c(CN(C)Cc2ccc(F)cc2)c1[O-] ZINC000007141677 571262519 /nfs/dbraw/zinc/26/25/19/571262519.db2.gz MGNIJWJWLGUNQR-UHFFFAOYSA-N -1 3 355.409 4.141 50 10 FICAHM CCC(=O)N[C@@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1[O-] ZINC000000869274 219334333 /nfs/dbraw/zinc/33/43/33/219334333.db2.gz HLJCTESVUQYBST-SFHVURJKSA-N -1 3 370.836 4.218 50 10 FICAHM CCOC(=O)c1[n-]c2ccc(Cl)cc2c1/N=N/N1CCSCC1 ZINC000013125547 220058651 /nfs/dbraw/zinc/05/86/51/220058651.db2.gz DZIWULKUNIZNMX-VHEBQXMUSA-N -1 3 352.847 4.046 50 10 FICAHM O=[N+]([O-])c1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000004058924 263331090 /nfs/dbraw/zinc/33/10/90/263331090.db2.gz OXSXWEUVCNUZFS-HXUWFJFHSA-N -1 3 372.384 4.445 50 10 FICAHM O=C1c2ccccc2N[C@@H](c2cc(O)c([O-])c(Cl)c2)N1Cc1ccco1 ZINC000007113020 263349225 /nfs/dbraw/zinc/34/92/25/263349225.db2.gz RIJZDGZYWLJQNQ-GOSISDBHSA-N -1 3 370.792 4.111 50 10 FICAHM O=C(NCC(F)(F)F)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000043232082 570930874 /nfs/dbraw/zinc/93/08/74/570930874.db2.gz HFSJQMAYBYAQKL-GOSISDBHSA-N -1 3 374.362 4.496 50 10 FICAHM CCOc1ccc(-c2cnc(NCc3cc(Cl)ccc3[O-])n2C)cc1 ZINC000004678860 571158469 /nfs/dbraw/zinc/15/84/69/571158469.db2.gz ZWJOUFVEYOYGER-UHFFFAOYSA-N -1 3 357.841 4.457 50 10 FICAHM COc1ccc2oc(C(=O)c3coc4ccc([O-])c(CN(C)C)c34)cc2c1 ZINC000075285940 571159972 /nfs/dbraw/zinc/15/99/72/571159972.db2.gz PBKDKIQRDUPLBD-UHFFFAOYSA-N -1 3 365.385 4.186 50 10 FICAHM CC(=O)Nc1ccc(N=Cc2c(C)[n-]n(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000006200269 571162065 /nfs/dbraw/zinc/16/20/65/571162065.db2.gz PUTXTFZOZFXSNA-WQRHYEAKSA-N -1 3 368.824 4.017 50 10 FICAHM COc1cccc2c1OC1(CCCC1)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000006721829 571243557 /nfs/dbraw/zinc/24/35/57/571243557.db2.gz SOBMXGSAWAPJOI-QGZVFWFLSA-N -1 3 350.418 4.215 50 10 FICAHM CC[C@@H]1CCCCN1Cc1c([O-])c(Cl)cc2c3c(c(=O)oc21)CCC3 ZINC000019800088 220298489 /nfs/dbraw/zinc/29/84/89/220298489.db2.gz VCXSXTMYAMILCR-GFCCVEGCSA-N -1 3 361.869 4.405 50 10 FICAHM COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1cc(Cl)cc(Cl)c1[O-] ZINC000019874964 220304216 /nfs/dbraw/zinc/30/42/16/220304216.db2.gz LJMWUTCOZPWNMC-INIZCTEOSA-N -1 3 363.244 4.424 50 10 FICAHM O=c1c2ccc([O-])c(CN3CCCC3)c2occ1-c1ccc(Cl)cc1 ZINC000020394800 220325993 /nfs/dbraw/zinc/32/59/93/220325993.db2.gz RARKRPZJIJNXND-UHFFFAOYSA-N -1 3 355.821 4.415 50 10 FICAHM CCN(CC)Cc1c([O-])ccc2c(=O)c(Oc3ccc(OC)cc3)coc21 ZINC000020572995 220333997 /nfs/dbraw/zinc/33/39/97/220333997.db2.gz AYHQMAXQZWJMRN-UHFFFAOYSA-N -1 3 369.417 4.141 50 10 biogenic FICAHM [O-]c1c([C@@H](Nc2ncccc2O)c2ccc(F)cc2)ccc2cccnc12 ZINC000049691377 221027020 /nfs/dbraw/zinc/02/70/20/221027020.db2.gz KEVPETOESFEUOT-SFHVURJKSA-N -1 3 361.376 4.382 50 10 FICAHM [O-]c1ccccc1CN1CCc2nc[nH]c2[C@H]1c1c(F)cccc1Cl ZINC000067473193 221255268 /nfs/dbraw/zinc/25/52/68/221255268.db2.gz DSQAQHOOEZYUHF-LJQANCHMSA-N -1 3 357.816 4.056 50 10 FICAHM O=C(c1ccco1)N1N=C(c2ccccc2[O-])C[C@@H]1c1cccc(F)c1 ZINC000089813389 571273440 /nfs/dbraw/zinc/27/34/40/571273440.db2.gz OKLFXMSKXZXZLD-QGZVFWFLSA-N -1 3 350.349 4.116 50 10 FICAHM CCCC(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])ccc2ccccc21 ZINC000000855794 219332374 /nfs/dbraw/zinc/33/23/74/219332374.db2.gz FMXVMBNLDNNXGX-OAQYLSRUSA-N -1 3 364.401 4.459 50 10 FICAHM O=C1/C(=C\c2cc(Cl)ccc2[O-])SC(=S)N1Cc1ccccc1 ZINC000015011479 220141609 /nfs/dbraw/zinc/14/16/09/220141609.db2.gz NTHSOWKVBRZUIB-OQLLNIDSSA-N -1 3 361.875 4.447 50 10 FICAHM [O-]c1c([C@@H](c2ccc(Cl)cc2)N2CCOCC2)ccc2cccnc21 ZINC000019681927 220286547 /nfs/dbraw/zinc/28/65/47/220286547.db2.gz KNDLUQLXEIOXLJ-LJQANCHMSA-N -1 3 354.837 4.015 50 10 FICAHM COc1ccccc1-c1coc2c(ccc([O-])c2CN2CCCCC2)c1=O ZINC000019790381 220296793 /nfs/dbraw/zinc/29/67/93/220296793.db2.gz BGJFCGHBDZWWLH-UHFFFAOYSA-N -1 3 365.429 4.160 50 10 biogenic FICAHM C[C@H]1CCCN(Cc2c([O-])c(Cl)cc3c4c(c(=O)oc32)CCCC4)C1 ZINC000019912154 220304958 /nfs/dbraw/zinc/30/49/58/220304958.db2.gz UUEGAQAXSCEANP-LBPRGKRZSA-N -1 3 361.869 4.263 50 10 FICAHM [O-]c1ccc(Cl)cc1C1=NN[C@H](c2ccc(Br)cc2)C1 ZINC000001183007 570490000 /nfs/dbraw/zinc/49/00/00/570490000.db2.gz JBAJCNIIEZQOCL-ZDUSSCGKSA-N -1 3 351.631 4.247 50 10 FICAHM O=C(c1ccco1)N1N=C(c2ccccc2[O-])C[C@H]1c1ccc(F)cc1 ZINC000004942485 570564674 /nfs/dbraw/zinc/56/46/74/570564674.db2.gz OGPLPYFKRGUHSF-KRWDZBQOSA-N -1 3 350.349 4.116 50 10 FICAHM [O-]c1ccc(Br)cc1C1=NN[C@H](c2ccc(Cl)cc2)C1 ZINC000001463804 571115067 /nfs/dbraw/zinc/11/50/67/571115067.db2.gz QCGIKSHXQFUAIB-ZDUSSCGKSA-N -1 3 351.631 4.247 50 10 FICAHM COc1ccc(-c2coc3c(ccc([O-])c3CN3CCCCC3)c2=O)cc1 ZINC000020411524 220326190 /nfs/dbraw/zinc/32/61/90/220326190.db2.gz SSVOWZLFSMINRT-UHFFFAOYSA-N -1 3 365.429 4.160 50 10 biogenic FICAHM O=C1Nc2ccccc2[C@H]1N1N=C(c2ccccc2)C[C@@H]1c1ccccc1[O-] ZINC000096318992 222114691 /nfs/dbraw/zinc/11/46/91/222114691.db2.gz KCDJZJWQYXQECB-IFMALSPDSA-N -1 3 369.424 4.237 50 10 FICAHM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cccc(C)c1 ZINC000100507595 222246246 /nfs/dbraw/zinc/24/62/46/222246246.db2.gz XOJTUYIMDOKXQS-BOPFTXTBSA-N -1 3 370.250 4.476 50 10 FICAHM Cc1ocnc1C(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000129165153 570611913 /nfs/dbraw/zinc/61/19/13/570611913.db2.gz DARCHYLNFWDKIN-NRFANRHFSA-N -1 3 358.397 4.361 50 10 FICAHM Cc1ocnc1C(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000129165403 570612210 /nfs/dbraw/zinc/61/22/10/570612210.db2.gz DARCHYLNFWDKIN-OAQYLSRUSA-N -1 3 358.397 4.361 50 10 FICAHM CC(C)(C)OC(=O)N1CCN([C@@H](c2cccs2)c2ccccc2[O-])CC1 ZINC000025760488 570999984 /nfs/dbraw/zinc/99/99/84/570999984.db2.gz OTBBWUHOHOVTFB-GOSISDBHSA-N -1 3 374.506 4.096 50 10 FICAHM CCC(=O)N[C@@H](c1ccc(OC)cc1)c1cc(Cl)c2cccnc2c1[O-] ZINC000039708022 571065026 /nfs/dbraw/zinc/06/50/26/571065026.db2.gz ARGIYISFLFVNKG-SFHVURJKSA-N -1 3 370.836 4.218 50 10 FICAHM O=[N+]([O-])c1ccccc1[C@@H]1c2cccn2CCCN1Cc1ccccc1[O-] ZINC000036347816 571249118 /nfs/dbraw/zinc/24/91/18/571249118.db2.gz ZXBGCRLKMOZJTR-OAQYLSRUSA-N -1 3 363.417 4.097 50 10 FICAHM CC[C@@H](c1cc(Br)ccc1[O-])N(C)Cc1c(C)noc1C ZINC000170601051 571266957 /nfs/dbraw/zinc/26/69/57/571266957.db2.gz QBPBSZFAOMBDIW-HNNXBMFYSA-N -1 3 353.260 4.343 50 10 FICAHM CC(C)C(=O)N[C@H](c1ccccc1Cl)c1ccc2cccnc2c1[O-] ZINC000000855786 219331609 /nfs/dbraw/zinc/33/16/09/219331609.db2.gz FPISIVZHARXNRT-GOSISDBHSA-N -1 3 354.837 4.455 50 10 biogenic FICAHM [O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccc(O)cc1 ZINC000020070648 220312897 /nfs/dbraw/zinc/31/28/97/220312897.db2.gz YJSYETDDNGRBCA-DENIHFKCSA-N -1 3 358.397 4.340 50 10 FICAHM COc1ccc(-c2c(C)oc3c(ccc([O-])c3CN3CCCC3)c2=O)cc1 ZINC000020411967 220325791 /nfs/dbraw/zinc/32/57/91/220325791.db2.gz JDEHOZSLXZLODI-UHFFFAOYSA-N -1 3 365.429 4.078 50 10 biogenic FICAHM O=c1c2ccc([O-])c(CN3CCCCC3)c2occ1-c1ccc(F)cc1 ZINC000057312218 221085860 /nfs/dbraw/zinc/08/58/60/221085860.db2.gz LMPXPTNHVNDVIY-UHFFFAOYSA-N -1 3 353.393 4.291 50 10 FICAHM CCCSc1nnc2c(n1)O[C@H](c1ccccc1[O-])Nc1ccccc1-2 ZINC000005127938 570621544 /nfs/dbraw/zinc/62/15/44/570621544.db2.gz DUABCPAPKQVPKV-QGZVFWFLSA-N -1 3 366.446 4.249 50 10 FICAHM COc1ccc(OC)c(-c2ccc([O-])c(CN(C)Cc3cc(C)no3)c2)c1 ZINC000012451558 570746988 /nfs/dbraw/zinc/74/69/88/570746988.db2.gz ILQYTJDVYIZZCR-UHFFFAOYSA-N -1 3 368.433 4.005 50 10 FICAHM CCc1cc([C@H]2CCCN2Cc2cc(Br)ccc2[O-])on1 ZINC000035511260 571076714 /nfs/dbraw/zinc/07/67/14/571076714.db2.gz FQOSEHNRGRCORN-CQSZACIVSA-N -1 3 351.244 4.042 50 10 FICAHM COc1cccc2c1OC(C)(C)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000006721845 571243576 /nfs/dbraw/zinc/24/35/76/571243576.db2.gz CVLRIRMKOUJVLA-HNNXBMFYSA-N -1 3 358.825 4.334 50 10 FICAHM [O-]c1c(Br)cccc1CNCc1ncc(-c2ccccc2)o1 ZINC000170621720 571268789 /nfs/dbraw/zinc/26/87/89/571268789.db2.gz VIGNAVSBMDMBJL-UHFFFAOYSA-N -1 3 359.223 4.100 50 10 FICAHM CC(C)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1c([O-])ccc2ccccc21 ZINC000000855802 219332322 /nfs/dbraw/zinc/33/23/22/219332322.db2.gz XDKCWAFOHBGELE-JOCHJYFZSA-N -1 3 362.473 4.473 50 10 FICAHM [O-]c1cc(O)ccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000004349498 219568906 /nfs/dbraw/zinc/56/89/06/219568906.db2.gz YTFJVBNKQOIEKG-UZLBHIALSA-N -1 3 364.426 4.402 50 10 FICAHM CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1[O-] ZINC000015016275 220141628 /nfs/dbraw/zinc/14/16/28/220141628.db2.gz KPKAOQKRHVJBMG-DHDCSXOGSA-N -1 3 356.809 4.250 50 10 FICAHM COc1cccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c1[O-] ZINC000019323974 220249608 /nfs/dbraw/zinc/24/96/08/220249608.db2.gz BRMUEVJUZYWWMG-UHFFFAOYSA-N -1 3 374.484 4.417 50 10 FICAHM O=[N+]([O-])c1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000004058925 263331219 /nfs/dbraw/zinc/33/12/19/263331219.db2.gz OXSXWEUVCNUZFS-FQEVSTJZSA-N -1 3 372.384 4.445 50 10 FICAHM CCN(Cc1ccc(F)c(F)c1)Cc1cc(Br)ccc1[O-] ZINC000072305016 570508861 /nfs/dbraw/zinc/50/88/61/570508861.db2.gz RTVNCQSXHCYBAI-UHFFFAOYSA-N -1 3 356.210 4.455 50 10 FICAHM CCOC(=O)[C@H]1CCCCN1Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC000012078922 570717166 /nfs/dbraw/zinc/71/71/66/570717166.db2.gz DKDBRQAEHVSRBV-LJQANCHMSA-N -1 3 357.425 4.116 50 10 FICAHM Cc1cnc(C(=O)N[C@H](c2ccccc2)c2c([O-])ccc3ccccc32)cn1 ZINC000041905059 571117523 /nfs/dbraw/zinc/11/75/23/571117523.db2.gz MTXXAEYUHDPTRP-JOCHJYFZSA-N -1 3 369.424 4.163 50 10 FICAHM COc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000169681532 571247199 /nfs/dbraw/zinc/24/71/99/571247199.db2.gz HGZPCIWKNALYOI-AVRDEDQJSA-N -1 3 373.412 4.038 50 10 FICAHM O=[N+]([O-])c1cccc([C@@H]2c3cccn3CCCN2Cc2ccccc2[O-])c1 ZINC000036347323 571248550 /nfs/dbraw/zinc/24/85/50/571248550.db2.gz XNEGLLIINOFOBU-OAQYLSRUSA-N -1 3 363.417 4.097 50 10 FICAHM CCN(CC)Cc1c([O-])cc(C)c2c(=O)c(-c3nc(C)cs3)coc12 ZINC000019924473 571308230 /nfs/dbraw/zinc/30/82/30/571308230.db2.gz LHAPAACVCGBGHB-UHFFFAOYSA-N -1 3 358.463 4.081 50 10 FICAHM O=[N+]([O-])c1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000004138544 571356055 /nfs/dbraw/zinc/35/60/55/571356055.db2.gz MFOMKLVEVRNVMF-IBGZPJMESA-N -1 3 372.384 4.445 50 10 FICAHM