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([O-])CCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S ZINC000001133371 203985729 /nfs/dbraw/zinc/98/57/29/203985729.db2.gz DNUZUNZFMUTTFG-TWGQIWQCSA-N -1 0 362.259 3.669 50 10 FHCARM O=C([O-])CCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S ZINC000001870944 204020701 /nfs/dbraw/zinc/02/07/01/204020701.db2.gz ZHHOJDLWKZTHKF-UXBLZVDNSA-N -1 0 362.259 3.669 50 10 FHCARM Cc1ccsc1/C=C1/SC(=S)N([N-]C(=O)c2cccs2)C1=O ZINC000003766098 204110436 /nfs/dbraw/zinc/11/04/36/204110436.db2.gz SMPQIXUSZSIWBA-YRNVUSSQSA-N -1 0 366.514 3.664 50 10 FHCARM COC(=O)c1ccc([C@@H]2Nc3ccc(CC(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 ZINC000004623491 204150091 /nfs/dbraw/zinc/15/00/91/204150091.db2.gz BMYSBHIBTWFUFS-FVJLSDCUSA-N -1 0 363.413 3.927 50 10 FHCARM Cc1cccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccccc4F)o3)C2=O)c1 ZINC000004470683 204139855 /nfs/dbraw/zinc/13/98/55/204139855.db2.gz BMWSFCOIWKFNTM-ATVHPVEESA-N -1 0 362.360 3.856 50 10 FHCARM CC[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)OC(C)C)C1 ZINC000005954117 204232398 /nfs/dbraw/zinc/23/23/98/204232398.db2.gz AOYPCACRACGRSF-NSHDSACASA-N -1 0 367.467 3.632 50 10 FHCARM CC(C)c1ccc(N2C(=O)/C(=C\c3cccs3)C(=O)[N-]C2=S)cc1 ZINC000009262618 204360864 /nfs/dbraw/zinc/36/08/64/204360864.db2.gz JCWJFASWCYOXJK-GDNBJRDFSA-N -1 0 356.472 3.703 50 10 FHCARM O=C([O-])CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1O ZINC000079060695 205636126 /nfs/dbraw/zinc/63/61/26/205636126.db2.gz CKWMIRVZHIOSHP-INIZCTEOSA-N -1 0 372.808 3.588 50 10 FHCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S ZINC000004745750 206180556 /nfs/dbraw/zinc/18/05/56/206180556.db2.gz FVRPNLYYZVAICT-QNVZYDPPSA-N -1 0 371.439 3.863 50 10 FHCARM COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000004341288 206238772 /nfs/dbraw/zinc/23/87/72/206238772.db2.gz YODDOVXWAXEELX-OQLLNIDSSA-N -1 0 371.439 3.799 50 10 FHCARM Cc1ccsc1/C=C1\SC(=S)N(CCCCCC(=O)[O-])C1=O ZINC000021271658 206355769 /nfs/dbraw/zinc/35/57/69/206355769.db2.gz MNQNFEJMDZGICU-XFXZXTDPSA-N -1 0 355.506 3.903 50 10 FHCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cl)s2)C1=O ZINC000005903409 132258479 /nfs/dbraw/zinc/25/84/79/132258479.db2.gz ZOEAOSGDDYWPJO-XFXZXTDPSA-N -1 0 360.822 3.630 50 10 FHCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cnn(-c4ccccc4)c3)C2=O)c1 ZINC000001180665 132380799 /nfs/dbraw/zinc/38/07/99/132380799.db2.gz IZYLJRRYKPUHJW-WOJGMQOQSA-N -1 0 372.384 3.687 50 10 FHCARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(N)cc2)c1=O ZINC000100502045 570504719 /nfs/dbraw/zinc/50/47/19/570504719.db2.gz KEQIFXOPGYUOTD-UHFFFAOYSA-N -1 0 365.433 3.732 50 10 FHCARM CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cccnc1 ZINC000013625430 570781250 /nfs/dbraw/zinc/78/12/50/570781250.db2.gz QCIXRQMSOGUAEG-XMHGGMMESA-N -1 0 350.422 3.979 50 10 FHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1c[nH]nc1-c1ccccc1 ZINC000018182870 570814416 /nfs/dbraw/zinc/81/44/16/570814416.db2.gz YSSTXNAOMMMIKU-LFIBNONCSA-N -1 0 358.357 3.583 50 10 FHCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccccc1O ZINC000019119315 570880380 /nfs/dbraw/zinc/88/03/80/570880380.db2.gz PQMJSXYZUGGGHT-JYRVWZFOSA-N -1 0 356.765 3.550 50 10 FHCARM O=C1c2ccccc2N[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2[O-])N1C1CC1 ZINC000038364316 571039765 /nfs/dbraw/zinc/03/97/65/571039765.db2.gz QNJCEZBEXAOKQN-MRXNPFEDSA-N -1 0 359.769 3.683 50 10 FHCARM CN1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000009015886 571091653 /nfs/dbraw/zinc/09/16/53/571091653.db2.gz DIVBRVULNGTEDM-BOPFTXTBSA-N -1 0 359.385 3.622 50 10 FHCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000033342697 571236521 /nfs/dbraw/zinc/23/65/21/571236521.db2.gz VIEZHKFBZLEPLD-BOPFTXTBSA-N -1 0 350.374 3.819 50 10 FHCARM COc1cccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)c1 ZINC000004499172 204141879 /nfs/dbraw/zinc/14/18/79/204141879.db2.gz GKOZPXNSVSDMLQ-DHDCSXOGSA-N -1 0 370.792 3.853 50 10 FHCARM CCCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@H](CC)C2 ZINC000005952050 204232864 /nfs/dbraw/zinc/23/28/64/204232864.db2.gz GJQPHNWDOYPKTM-NSHDSACASA-N -1 0 367.467 3.633 50 10 FHCARM O=C([O-])Cc1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1 ZINC000004291546 206171745 /nfs/dbraw/zinc/17/17/45/206171745.db2.gz YFWSCMUZSHKEPU-UKTHLTGXSA-N -1 0 361.469 3.781 50 10 FHCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S ZINC000004745747 206180607 /nfs/dbraw/zinc/18/06/07/206180607.db2.gz FVRPNLYYZVAICT-QGLQHOKYSA-N -1 0 371.439 3.863 50 10 FHCARM O=C([O-])CCCCCN1C(=O)/C(=C/C=C/c2ccco2)SC1=S ZINC000004745745 206180722 /nfs/dbraw/zinc/18/07/22/206180722.db2.gz GRSATFQZCHTSEB-GVVZRPPFSA-N -1 0 351.449 3.682 50 10 FHCARM COc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)cc1O ZINC000217825719 206366545 /nfs/dbraw/zinc/36/65/45/206366545.db2.gz OLXHHBMFBAJJLZ-UHFFFAOYSA-N -1 0 363.329 3.650 50 10 FHCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1C ZINC000001181816 132380906 /nfs/dbraw/zinc/38/09/06/132380906.db2.gz NUAKOVUZHMBGQW-OQLLNIDSSA-N -1 0 373.865 3.967 50 10 FHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(SC)cc3)C2=O)cc1 ZINC000004845718 536184143 /nfs/dbraw/zinc/18/41/43/536184143.db2.gz GDKXZYPYYXRAGD-ATVHPVEESA-N -1 0 366.442 3.637 50 10 FHCARM O=C([O-])c1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000001160543 570485977 /nfs/dbraw/zinc/48/59/77/570485977.db2.gz QTXNFWOBONZVGT-ZROIWOOFSA-N -1 0 359.403 3.930 50 10 FHCARM CCCOc1ccccc1/C=C1/C(=O)[N-]N(c2ccc(Cl)cc2)C1=O ZINC000013562079 570779430 /nfs/dbraw/zinc/77/94/30/570779430.db2.gz BIRCYRMEZWVRHH-VBKFSLOCSA-N -1 0 356.809 3.590 50 10 FHCARM Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C1=NN[C@@H](c2ccc(O)cc2)C1 ZINC000013722413 570786828 /nfs/dbraw/zinc/78/68/28/570786828.db2.gz JFMYBNIKKRNSGV-OAHLLOKOSA-N -1 0 364.401 3.568 50 10 FHCARM COC(=O)c1ccc(Cl)cc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000101484778 570820760 /nfs/dbraw/zinc/82/07/60/570820760.db2.gz ZGJFGSXKYGBVRZ-LFIBNONCSA-N -1 0 369.808 3.845 50 10 FHCARM CC(=O)N[C@@H](c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000000869298 571106257 /nfs/dbraw/zinc/10/62/57/571106257.db2.gz NCQVPAKISSFTKX-INIZCTEOSA-N -1 0 371.780 3.728 50 10 FHCARM Cc1ccc(/C=C2\C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)s1 ZINC000001209736 571166090 /nfs/dbraw/zinc/16/60/90/571166090.db2.gz GESVGTIZNIGVOH-YRNVUSSQSA-N -1 0 353.230 3.825 50 10 FHCARM O=C1c2ccccc2-c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c21 ZINC000003997649 204116777 /nfs/dbraw/zinc/11/67/77/204116777.db2.gz PQOKCFGUWMJLHK-UHFFFAOYSA-N -1 0 353.374 3.838 50 10 FHCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccccc3F)SC2=S)c1 ZINC000001777313 206150837 /nfs/dbraw/zinc/15/08/37/206150837.db2.gz GWFWZCMKFUNLOB-ZROIWOOFSA-N -1 0 359.403 3.930 50 10 FHCARM COc1ccc(N=C(C)c2c(C)[n-]n(-c3ccccc3)c2=O)c(OC)c1 ZINC000103864226 206236553 /nfs/dbraw/zinc/23/65/53/206236553.db2.gz LDHHPWBQYKMBAR-CPNJWEJPSA-N -1 0 351.406 3.812 50 10 FHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CC=Cc1cccc([N+](=O)[O-])c1 ZINC000001201900 132380975 /nfs/dbraw/zinc/38/09/75/132380975.db2.gz LBAFSUHUCQGWCP-LLPGWTFISA-N -1 0 363.329 3.658 50 10 FHCARM CCn1c(C)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)c1C ZINC000001238730 535963951 /nfs/dbraw/zinc/96/39/51/535963951.db2.gz KAEJZDCMKCOSRP-GZTJUZNOSA-N -1 0 367.405 3.640 50 10 FHCARM COc1ccc(N2C(=O)C(=CC=Cc3ccco3)C(=O)[N-]C2=S)cc1 ZINC000001197673 536656767 /nfs/dbraw/zinc/65/67/67/536656767.db2.gz KEBBVAUQERDWIL-XEXQVEHGSA-N -1 0 354.387 3.516 50 10 FHCARM COc1cccc(N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)c1 ZINC000000978012 570467509 /nfs/dbraw/zinc/46/75/09/570467509.db2.gz LVZPRINBVQKZKA-DHDCSXOGSA-N -1 0 371.439 3.799 50 10 FHCARM O=C([O-])CCCN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S ZINC000002224429 570517273 /nfs/dbraw/zinc/51/72/73/570517273.db2.gz DVBNDYCWYQBTRZ-XFFZJAGNSA-N -1 0 359.831 3.545 50 10 FHCARM CCCN1C(=O)C(=CNc2cc(C(=O)[O-])ccc2Cl)SC1=S ZINC000102480539 570832629 /nfs/dbraw/zinc/83/26/29/570832629.db2.gz IBSQTZPJRGMLSK-YRNVUSSQSA-N -1 0 356.856 3.562 50 10 FHCARM O=C([O-])C1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000023114640 571216222 /nfs/dbraw/zinc/21/62/22/571216222.db2.gz QJBXEOJTMYCTTF-JYRVWZFOSA-N -1 0 361.184 3.864 50 10 FHCARM O=C([O-])Cc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000006901845 571254011 /nfs/dbraw/zinc/25/40/11/571254011.db2.gz FLHHUODHMNUJNJ-UHFFFAOYSA-N -1 0 371.392 3.700 50 10 FHCARM Cc1cc(/C=C2/SC(=S)N(C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000007499980 219807149 /nfs/dbraw/zinc/80/71/49/219807149.db2.gz KSNAKZYLLKOHAS-OQLLNIDSSA-N -1 0 372.471 3.623 50 10 FHCARM COc1ccccc1N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S ZINC000002834237 204061129 /nfs/dbraw/zinc/06/11/29/204061129.db2.gz YYZYXABBFPZMGA-GDNBJRDFSA-N -1 0 371.439 3.799 50 10 FHCARM CC(C)C(=O)N[C@H](c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004171968 204125558 /nfs/dbraw/zinc/12/55/58/204125558.db2.gz UGVXTILPQFDWHE-HNNXBMFYSA-N -1 0 371.418 3.772 50 10 FHCARM COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[n-]n(-c2ccccc2C)c1=O ZINC000004180599 204126622 /nfs/dbraw/zinc/12/66/22/204126622.db2.gz QTYVWYAWJWQHMC-RVDMUPIBSA-N -1 0 366.377 3.630 50 10 FHCARM CCC(=O)N[C@H](c1ccc(C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684866 204156032 /nfs/dbraw/zinc/15/60/32/204156032.db2.gz SOOZZAWHFOKELH-GOSISDBHSA-N -1 0 365.389 3.773 50 10 FHCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3cccc(Br)c3)C2=O)cc1C ZINC000004460739 204140316 /nfs/dbraw/zinc/14/03/16/204140316.db2.gz LCTYFISFRSQCJU-YBEGLDIGSA-N -1 0 371.234 3.527 50 10 FHCARM Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)o2)cc1 ZINC000005032405 204186488 /nfs/dbraw/zinc/18/64/88/204186488.db2.gz YVLXKDCTGJPZQT-GDNBJRDFSA-N -1 0 373.455 3.931 50 10 FHCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000006133311 204238125 /nfs/dbraw/zinc/23/81/25/204238125.db2.gz VGIFXQDHKSESDU-XYGUXCPDSA-N -1 0 369.467 3.584 50 10 FHCARM O=C([O-])c1cc2c3c(cc(Br)c2oc1=O)oc1c3CCCC1 ZINC000004028102 206163245 /nfs/dbraw/zinc/16/32/45/206163245.db2.gz TXCVYMQEQUELOD-UHFFFAOYSA-N -1 0 363.163 3.879 50 10 biogenic FHCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=S ZINC000005214698 206191499 /nfs/dbraw/zinc/19/14/99/206191499.db2.gz FUUSZLZWYHVRQP-RDQDRAATSA-N -1 0 366.420 3.541 50 10 FHCARM Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](C)C(=O)[O-])C3=O)o2)cc1 ZINC000005429196 206193716 /nfs/dbraw/zinc/19/37/16/206193716.db2.gz IFUPSQQVIUOHCB-BTAWCLGRSA-N -1 0 373.455 3.929 50 10 FHCARM CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000013939752 206307532 /nfs/dbraw/zinc/30/75/32/206307532.db2.gz JCUWDKHAHUMILI-DHDCSXOGSA-N -1 0 370.792 3.610 50 10 FHCARM COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)ccc1O ZINC000217842735 206365519 /nfs/dbraw/zinc/36/55/19/206365519.db2.gz RHPKVKRGCRQQNN-UHFFFAOYSA-N -1 0 363.329 3.650 50 10 FHCARM [O-]c1c2oc3c(nc4n[nH]cc4c3-c3ccc4c(c3)OCO4)c2ccc1O ZINC000217833065 206366316 /nfs/dbraw/zinc/36/63/16/206366316.db2.gz WWZOYJJBFODWIY-UHFFFAOYSA-N -1 0 361.313 3.664 50 10 FHCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000004456206 132304136 /nfs/dbraw/zinc/30/41/36/132304136.db2.gz HGYRLQAVCZEEJC-AQTBWJFISA-N -1 0 358.422 3.671 50 10 FHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc4ccccc34)C2=O)cc1 ZINC000001192493 132380772 /nfs/dbraw/zinc/38/07/72/132380772.db2.gz BGLRTVISRBTCOA-CPNJWEJPSA-N -1 0 372.380 3.515 50 10 FHCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000001302116 132381578 /nfs/dbraw/zinc/38/15/78/132381578.db2.gz NSPMFUSNPMGNDC-LCYFTJDESA-N -1 0 365.389 3.979 50 10 FHCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccccc2)N=C1C ZINC000100147697 570499985 /nfs/dbraw/zinc/49/99/85/570499985.db2.gz PHCPNSHHXUOXSD-CPNJWEJPSA-N -1 0 358.401 3.692 50 10 FHCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1Cl ZINC000100148631 570500197 /nfs/dbraw/zinc/50/01/97/570500197.db2.gz AYTWVQSPJDUZIA-UVTDQMKNSA-N -1 0 356.769 3.967 50 10 FHCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000033414379 570526747 /nfs/dbraw/zinc/52/67/47/570526747.db2.gz ZVPRDFDOMJFREM-BOPFTXTBSA-N -1 0 350.374 3.819 50 10 FHCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)[nH]1 ZINC000034221865 570658089 /nfs/dbraw/zinc/65/80/89/570658089.db2.gz SMGLVRMRUNCMGK-SXGWCWSVSA-N -1 0 353.447 3.920 50 10 FHCARM O=C1c2c(O)c(Cl)c(Cl)c([O-])c2C(=O)[C@H]2Cc3ccccc3C[C@@H]12 ZINC000013407624 570777557 /nfs/dbraw/zinc/77/75/57/570777557.db2.gz AWHCYSWQJIHNOH-AOOOYVTPSA-N -1 0 363.196 3.815 50 10 FHCARM Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000013590186 570779836 /nfs/dbraw/zinc/77/98/36/570779836.db2.gz BNQLKYDIKIDOTN-UVTDQMKNSA-N -1 0 354.391 3.820 50 10 FHCARM Cn1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000013765350 570789870 /nfs/dbraw/zinc/78/98/70/570789870.db2.gz SFMBBSWJZWZYHB-WJDWOHSUSA-N -1 0 351.406 3.813 50 10 FHCARM CCOC(=O)c1ccc(-n2c(C)cc(C=C3SC(=O)NC3=O)c2C)cc1 ZINC000015723600 570843045 /nfs/dbraw/zinc/84/30/45/570843045.db2.gz SBRHXUZVAYQNAS-YBEGLDIGSA-N -1 0 370.430 3.595 50 10 FHCARM Cc1ccc(N2[N-]C(=O)/C(=C\c3ccccc3OC(C)C)C2=O)cc1Cl ZINC000207341881 570863786 /nfs/dbraw/zinc/86/37/86/570863786.db2.gz NETSHMJZESJOMG-MHWRWJLKSA-N -1 0 370.836 3.897 50 10 FHCARM Cc1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c(C)n1C1CC1 ZINC000013264748 571270429 /nfs/dbraw/zinc/27/04/29/571270429.db2.gz VZCUCEWALALVMW-ZROIWOOFSA-N -1 0 364.492 3.506 50 10 FHCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccc4ccccc34)C2=O)c1 ZINC000005061400 947927745 /nfs/dbraw/zinc/92/77/45/947927745.db2.gz PJIBFZZCQSMDMB-UYRXBGFRSA-N -1 0 356.381 3.815 50 10 FHCARM O=C([O-])c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000002124225 204026877 /nfs/dbraw/zinc/02/68/77/204026877.db2.gz LAVHHMWKUVBWIF-GDNBJRDFSA-N -1 0 355.440 3.786 50 10 FHCARM O=C([O-])c1ccc(N2N=C(C(F)(F)F)/C(=C/c3cccs3)C2=O)cc1 ZINC000002996280 204073291 /nfs/dbraw/zinc/07/32/91/204073291.db2.gz BKJZTAWQONHJFX-WQLSENKSSA-N -1 0 366.320 3.795 50 10 FHCARM Cc1[n-]n(-c2ccccc2C)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1C ZINC000004180584 204125687 /nfs/dbraw/zinc/12/56/87/204125687.db2.gz HCTNOZXQQIKGCY-LFIBNONCSA-N -1 0 350.378 3.930 50 10 FHCARM CC1=CN2C(=NC(=O)/C(=C\c3cc(Cl)c([O-])c(Cl)c3)C2=N)S1 ZINC000004656119 204152090 /nfs/dbraw/zinc/15/20/90/204152090.db2.gz CPPDQBTUSACKFF-DXRIKFKRSA-N -1 0 354.218 3.866 50 10 FHCARM CCC(=O)N[C@@H](c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004844909 204168992 /nfs/dbraw/zinc/16/89/92/204168992.db2.gz DEXNORPUTBBNSC-OAHLLOKOSA-N -1 0 357.391 3.526 50 10 FHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3C)C2=O)cc1Cl ZINC000001160860 132380493 /nfs/dbraw/zinc/38/04/93/132380493.db2.gz SBDYXSPCWRZMFW-DHDCSXOGSA-N -1 0 354.793 3.623 50 10 FHCARM COc1cccc(N=Nc2c(N)[n-]n3c2nc(-c2ccccc2)cc3=O)c1 ZINC000103674503 222341281 /nfs/dbraw/zinc/34/12/81/222341281.db2.gz LSNWURCEOSPTHY-GHVJWSGMSA-N -1 0 360.377 3.696 50 10 FHCARM COc1ccccc1[C@H]1CC(c2c(C)cc3oc(=O)cc(C)c3c2[O-])=NN1 ZINC000012322679 568161743 /nfs/dbraw/zinc/16/17/43/568161743.db2.gz LVBZUYITPZOMBN-CQSZACIVSA-N -1 0 364.401 3.563 50 10 FHCARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O ZINC000000629812 570440438 /nfs/dbraw/zinc/44/04/38/570440438.db2.gz QTHWHQRIDHRQNT-UHFFFAOYSA-N -1 0 359.337 3.978 50 10 FHCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000000966970 570466972 /nfs/dbraw/zinc/46/69/72/570466972.db2.gz VGIFXQDHKSESDU-JORMNFRLSA-N -1 0 369.467 3.584 50 10 FHCARM COc1cccc(N2C(=O)/C(=C/c3ccccc3C(=O)[O-])SC2=S)c1 ZINC000001220071 570494814 /nfs/dbraw/zinc/49/48/14/570494814.db2.gz HOBFBLVXGPEOEK-DHDCSXOGSA-N -1 0 371.439 3.799 50 10 FHCARM O=C([O-])c1ccccc1/C=C1\SC(=S)N(Nc2ccccc2)C1=O ZINC000002981254 570546371 /nfs/dbraw/zinc/54/63/71/570546371.db2.gz KBKIMUVVVVJMHM-UVTDQMKNSA-N -1 0 356.428 3.613 50 10 FHCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc4ccccc4[nH]3)C2=O)c1 ZINC000034138211 570651296 /nfs/dbraw/zinc/65/12/96/570651296.db2.gz FLRGNXMHYGMGRB-YBEGLDIGSA-N -1 0 361.357 3.683 50 10 FHCARM CCCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1 ZINC000013942681 570798348 /nfs/dbraw/zinc/79/83/48/570798348.db2.gz PGAXFOJPISWOAN-KAMYIIQDSA-N -1 0 365.476 3.541 50 10 FHCARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1 ZINC000101114196 570816751 /nfs/dbraw/zinc/81/67/51/570816751.db2.gz NIEATQVKRHEWAZ-MHWRWJLKSA-N -1 0 356.769 3.967 50 10 FHCARM O=C([O-])c1cccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)c1 ZINC000016669676 570860025 /nfs/dbraw/zinc/86/00/25/570860025.db2.gz XJEKWKFUSDGFHZ-BOAPOFAJSA-N -1 0 357.412 3.940 50 10 FHCARM CC(C)CCCN1C(=O)[N-]C(=O)/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC000000756225 571068908 /nfs/dbraw/zinc/06/89/08/571068908.db2.gz KGYIATSZHJSOKK-MDWZMJQESA-N -1 0 369.248 3.891 50 10 FHCARM O=C([O-])c1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000000969618 571140959 /nfs/dbraw/zinc/14/09/59/571140959.db2.gz LAAVTSLLBOSOTO-NTEUORMPSA-N -1 0 359.403 3.930 50 10 FHCARM COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000033342699 571236591 /nfs/dbraw/zinc/23/65/91/571236591.db2.gz CAFKTKVXPDRIMF-WJDWOHSUSA-N -1 0 350.374 3.819 50 10 FHCARM COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1 ZINC000001907717 204021953 /nfs/dbraw/zinc/02/19/53/204021953.db2.gz VRMAQEDFRXMZMG-SDNWHVSQSA-N -1 0 365.476 3.541 50 10 FHCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000001916910 204022841 /nfs/dbraw/zinc/02/28/41/204022841.db2.gz RUIWSEPECAXYLH-RAXLEYEMSA-N -1 0 353.440 3.672 50 10 FHCARM CCCCCCN1C(=O)[N-]C(=O)C(=S(CCCC)CCCC)C1=O ZINC000013751528 206306003 /nfs/dbraw/zinc/30/60/03/206306003.db2.gz MOXFGXPEEZNAMC-UHFFFAOYSA-N -1 0 356.532 3.687 50 10 FHCARM COc1cccc(N2C(=O)C(=CC=Cc3ccco3)C(=O)[N-]C2=S)c1 ZINC000001197553 132252374 /nfs/dbraw/zinc/25/23/74/132252374.db2.gz MKHHXEBLYKQVOL-AYRRQIOMSA-N -1 0 354.387 3.516 50 10 FHCARM Cc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)s1 ZINC000008556708 132260306 /nfs/dbraw/zinc/26/03/06/132260306.db2.gz IAIAMGPIIQDIPP-ZROIWOOFSA-N -1 0 356.472 3.505 50 10 FHCARM CC(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000009317381 132378449 /nfs/dbraw/zinc/37/84/49/132378449.db2.gz RFACVFKUTANMDI-PTNGSMBKSA-N -1 0 352.365 3.616 50 10 FHCARM CCn1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c2ccccc21 ZINC000001278429 132381423 /nfs/dbraw/zinc/38/14/23/132381423.db2.gz CJHIDPIDHYYPQK-LDADJPATSA-N -1 0 373.412 3.840 50 10 FHCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1O ZINC000038168255 136118545 /nfs/dbraw/zinc/11/85/45/136118545.db2.gz GFJJNSLCJQVABG-FLIBITNWSA-N -1 0 372.764 3.561 50 10 FHCARM CC(/C=C1/SC(=S)N([C@H](C(=O)[O-])C(C)C)C1=O)=C/c1ccccc1 ZINC000033403208 568509201 /nfs/dbraw/zinc/50/92/01/568509201.db2.gz WZSFHXDLBDYXPF-WXKXABAUSA-N -1 0 361.488 3.943 50 10 FHCARM CC(=C\c1ccccc1)/C=C1\SC(=S)N([C@H](C(=O)[O-])C(C)C)C1=O ZINC000001209544 570492901 /nfs/dbraw/zinc/49/29/01/570492901.db2.gz WZSFHXDLBDYXPF-WAGUNMSTSA-N -1 0 361.488 3.943 50 10 FHCARM Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C1=NN[C@H](c2ccc(O)cc2)C1 ZINC000013722416 570786747 /nfs/dbraw/zinc/78/67/47/570786747.db2.gz JFMYBNIKKRNSGV-HNNXBMFYSA-N -1 0 364.401 3.568 50 10 FHCARM O=[N+]([O-])c1ccc([O-])c(CNc2ncnc3sc4c(c32)CCCC4)c1 ZINC000034800876 571074609 /nfs/dbraw/zinc/07/46/09/571074609.db2.gz VPWQNYHABCSMRG-UHFFFAOYSA-N -1 0 356.407 3.796 50 10 FHCARM Cc1cccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])s3)C(=O)[N-]C2=S)c1 ZINC000009044338 571093135 /nfs/dbraw/zinc/09/31/35/571093135.db2.gz YAAUTAXFJOGMSQ-XYOKQWHBSA-N -1 0 373.415 3.636 50 10 FHCARM Cn1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000013774882 571114596 /nfs/dbraw/zinc/11/45/96/571114596.db2.gz KWRFGOCWPYFEMH-SXGWCWSVSA-N -1 0 363.348 3.824 50 10 FHCARM Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)c2c1cccc2[N+](=O)[O-] ZINC000245238869 571120563 /nfs/dbraw/zinc/12/05/63/571120563.db2.gz BUBYXHFXKNWXKQ-UHFFFAOYSA-N -1 0 372.362 3.992 50 10 FHCARM O=C([O-])c1ccccc1N=NC1SC(=S)N(c2ccccc2)C1=O ZINC000245241009 571120829 /nfs/dbraw/zinc/12/08/29/571120829.db2.gz WHIBGVLSVNUPGY-CYBMUJFWSA-N -1 0 357.416 3.860 50 10 FHCARM O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=CC=Cc1ccccc1 ZINC000001155678 571148370 /nfs/dbraw/zinc/14/83/70/571148370.db2.gz ZRCCDSAAMJJQCI-FLGOTCTISA-N -1 0 364.376 3.927 50 10 FHCARM O=C([O-])CCCN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S ZINC000001207820 571166052 /nfs/dbraw/zinc/16/60/52/571166052.db2.gz NMYDPSCPARBVHD-RVDMUPIBSA-N -1 0 357.456 3.906 50 10 FHCARM COc1ccc(C2=CC(=C3SC(=S)NC3=O)c3ccccc3O2)cc1 ZINC000002224729 571290082 /nfs/dbraw/zinc/29/00/82/571290082.db2.gz GISUJWNSVSRWFY-VKAVYKQESA-N -1 0 367.451 3.988 50 10 FHCARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cccc2nsnc21 ZINC000019107782 571323450 /nfs/dbraw/zinc/32/34/50/571323450.db2.gz OYQIPJYURXYOSY-UHFFFAOYSA-N -1 0 359.354 3.511 50 10 FHCARM COc1ccc(-c2c3cc(O)c([O-])cc3oc3cc(=O)c(O)cc2-3)cc1C ZINC000004902078 947662608 /nfs/dbraw/zinc/66/26/08/947662608.db2.gz BJGZVMUPMRCZKW-UHFFFAOYSA-N -1 0 364.353 3.999 50 10 FHCARM CC(=O)N[C@@H](/C=C/c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000002470682 204041619 /nfs/dbraw/zinc/04/16/19/204041619.db2.gz XZEYWCXRLQDHJG-FVNWOWOISA-N -1 0 363.373 3.739 50 10 FHCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1 ZINC000001777272 204020034 /nfs/dbraw/zinc/02/00/34/204020034.db2.gz DJYSYHZGEUGFFW-ZROIWOOFSA-N -1 0 359.403 3.930 50 10 FHCARM CCC(=S)/C=C1\Sc2ccc(C)cc2N1CCCS(=O)(=O)[O-] ZINC000002026216 204023284 /nfs/dbraw/zinc/02/32/84/204023284.db2.gz JUGWSQUFWGNGRS-GDNBJRDFSA-N -1 0 357.522 3.806 50 10 FHCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc2c(c1)C[C@@H](C)O2 ZINC000004577524 204147811 /nfs/dbraw/zinc/14/78/11/204147811.db2.gz YDPGPSHUSXQXEG-OTWJJXBCSA-N -1 0 362.385 3.514 50 10 FHCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1O ZINC000004357007 204135064 /nfs/dbraw/zinc/13/50/64/204135064.db2.gz QNNTVIIYWLNDBV-KPKJPENVSA-N -1 0 363.441 3.558 50 10 FHCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(Br)cc3)C2=O)cc1C ZINC000004460734 204139592 /nfs/dbraw/zinc/13/95/92/204139592.db2.gz RDQUBXHMJSELBM-YBEGLDIGSA-N -1 0 371.234 3.527 50 10 FHCARM CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)SC1=S ZINC000005017504 204184826 /nfs/dbraw/zinc/18/48/26/204184826.db2.gz ISAWMFUNLFSUSB-NTEUORMPSA-N -1 0 359.428 3.866 50 10 FHCARM O=C1[N-]C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)C(=O)N1 ZINC000008856617 204347878 /nfs/dbraw/zinc/34/78/78/204347878.db2.gz UBVUILNVPQVKBS-UHFFFAOYSA-N -1 0 356.765 3.509 50 10 FHCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\C=C\c2ccco2)SC1=S ZINC000027533580 204863469 /nfs/dbraw/zinc/86/34/69/204863469.db2.gz FVRPNLYYZVAICT-HCGFWXDMSA-N -1 0 371.439 3.863 50 10 FHCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S ZINC000003532608 206233979 /nfs/dbraw/zinc/23/39/79/206233979.db2.gz MZRQRBAXYNSSEV-GDNBJRDFSA-N -1 0 355.440 3.639 50 10 FHCARM Cc1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000001213609 132381098 /nfs/dbraw/zinc/38/10/98/132381098.db2.gz CJAMDTCIPYUWSR-WOJGMQOQSA-N -1 0 373.412 3.760 50 10 FHCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)c1 ZINC000002279807 132383066 /nfs/dbraw/zinc/38/30/66/132383066.db2.gz PUYXGTCPUGQDOM-CXUHLZMHSA-N -1 0 361.357 3.683 50 10 FHCARM Cc1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])s3)C(=O)[N-]C2=S)cc1 ZINC000002820564 132383993 /nfs/dbraw/zinc/38/39/93/132383993.db2.gz VBXASWUMDTVHOY-XYOKQWHBSA-N -1 0 373.415 3.636 50 10 FHCARM O=S(=O)([N-]c1ccc(O)c2ccccc12)c1cccc2cccnc21 ZINC000001120410 263142822 /nfs/dbraw/zinc/14/28/22/263142822.db2.gz VOLVNBIKBMKQKR-UHFFFAOYSA-N -1 0 350.399 3.894 50 10 FHCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c1 ZINC000000966733 570466977 /nfs/dbraw/zinc/46/69/77/570466977.db2.gz KZPMAUJRJISOLI-ZSOIEALJSA-N -1 0 359.403 3.930 50 10 FHCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000000966721 570467071 /nfs/dbraw/zinc/46/70/71/570467071.db2.gz VOSYPXSHMLLTKA-LTBFUDJGSA-N -1 0 373.430 3.853 50 10 FHCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cc(Br)ccc1O ZINC000100148661 570500207 /nfs/dbraw/zinc/50/02/07/570500207.db2.gz LABASLVTFTWKGL-GXDHUFHOSA-N -1 0 372.222 3.873 50 10 FHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000008741142 570686652 /nfs/dbraw/zinc/68/66/52/570686652.db2.gz RWTNMQHUWYUEGU-AQTBWJFISA-N -1 0 363.417 3.822 50 10 FHCARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000101074659 570804856 /nfs/dbraw/zinc/80/48/56/570804856.db2.gz UNTSBLQYESMNKO-GXDHUFHOSA-N -1 0 356.769 3.967 50 10 FHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000014257499 570816595 /nfs/dbraw/zinc/81/65/95/570816595.db2.gz ADQBSLSEFQRPDM-QNGOZBTKSA-N -1 0 370.408 3.727 50 10 FHCARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000101346634 570819255 /nfs/dbraw/zinc/81/92/55/570819255.db2.gz YQTXITHARXZHAV-UVTDQMKNSA-N -1 0 356.769 3.967 50 10 FHCARM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000101346674 570819363 /nfs/dbraw/zinc/81/93/63/570819363.db2.gz GYVYCODEZRSOIC-PTNGSMBKSA-N -1 0 350.378 3.930 50 10 FHCARM O=c1c2ccc([O-])c(CN3CCCOC3)c2occ1-c1ccc(Cl)cc1 ZINC000032501395 571110074 /nfs/dbraw/zinc/11/00/74/571110074.db2.gz ATBZURGMRYLVCK-UHFFFAOYSA-N -1 0 371.820 3.999 50 10 FHCARM COCCN1C(=O)/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC1=S ZINC000002946687 204070384 /nfs/dbraw/zinc/07/03/84/204070384.db2.gz USTJJMCGHNYTMV-POHAHGRESA-N -1 0 364.275 3.547 50 10 FHCARM CCC[C@@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-] ZINC000004025769 204118716 /nfs/dbraw/zinc/11/87/16/204118716.db2.gz JPEGRUWLJUUWFY-QGZVFWFLSA-N -1 0 367.401 3.509 50 10 biogenic FHCARM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000004783824 204163496 /nfs/dbraw/zinc/16/34/96/204163496.db2.gz VOOBMGMFLRZKFB-QFGUUYLXSA-N -1 0 370.449 3.658 50 10 FHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000004471414 204139631 /nfs/dbraw/zinc/13/96/31/204139631.db2.gz LBEGDEHXSIFCSW-GDNBJRDFSA-N -1 0 374.318 3.680 50 10 FHCARM Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)o2)cc1 ZINC000005032399 204185762 /nfs/dbraw/zinc/18/57/62/204185762.db2.gz TWBPWXQEYXKREL-ZSOIEALJSA-N -1 0 359.428 3.541 50 10 FHCARM CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1cc(C(=O)[O-])ccc1C ZINC000005798917 204226364 /nfs/dbraw/zinc/22/63/64/204226364.db2.gz AIOUQDFQFMGFNZ-MHWRWJLKSA-N -1 0 353.353 3.551 50 10 FHCARM CCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)SC1=S ZINC000005952466 204232036 /nfs/dbraw/zinc/23/20/36/204232036.db2.gz HQAYGJYHQOBTFO-NTEUORMPSA-N -1 0 359.428 3.866 50 10 FHCARM CCCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@@H](CC)C2 ZINC000005952048 204232255 /nfs/dbraw/zinc/23/22/55/204232255.db2.gz GJQPHNWDOYPKTM-LLVKDONJSA-N -1 0 367.467 3.633 50 10 FHCARM CCn1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000009087721 204354657 /nfs/dbraw/zinc/35/46/57/204354657.db2.gz DCZURKWRMPPNLY-LDADJPATSA-N -1 0 373.412 3.528 50 10 FHCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000000966949 206144019 /nfs/dbraw/zinc/14/40/19/206144019.db2.gz DZVDOOCKVWUHRD-HPWAZMHGSA-N -1 0 362.259 3.668 50 10 FHCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccc3ccccc23)C1=O ZINC000004785703 132255172 /nfs/dbraw/zinc/25/51/72/132255172.db2.gz SYLJBEULWUJWQL-AQTBWJFISA-N -1 0 356.381 3.815 50 10 FHCARM COc1ccccc1/C=C1/C(=O)N(c2ccc(Cl)c(C(=O)[O-])c2)N=C1C ZINC000033296145 568484418 /nfs/dbraw/zinc/48/44/18/568484418.db2.gz ROLGTJHUTHHXHE-NTEUORMPSA-N -1 0 370.792 3.853 50 10 FHCARM Cn1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000013775544 570790683 /nfs/dbraw/zinc/79/06/83/570790683.db2.gz IWDRLSAIPANVME-UVTDQMKNSA-N -1 0 363.348 3.824 50 10 FHCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1C ZINC000013801304 570791585 /nfs/dbraw/zinc/79/15/85/570791585.db2.gz QJQQMTPOYIGMLI-OVCLIPMQSA-N -1 0 373.865 3.967 50 10 FHCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S ZINC000013804812 570791602 /nfs/dbraw/zinc/79/16/02/570791602.db2.gz PYCZSCOMVZGZHM-WJQTUHTMSA-N -1 0 374.487 3.633 50 10 FHCARM O=C1/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1C1CCCCC1 ZINC000015011626 570829333 /nfs/dbraw/zinc/82/93/33/570829333.db2.gz CTISAVXPYXTUAJ-ZROIWOOFSA-N -1 0 364.448 3.834 50 10 FHCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\C=C\c2ccco2)SC1=S ZINC000027533582 571013354 /nfs/dbraw/zinc/01/33/54/571013354.db2.gz FVRPNLYYZVAICT-HUMHTRESSA-N -1 0 371.439 3.863 50 10 FHCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1 ZINC000032109781 571049651 /nfs/dbraw/zinc/04/96/51/571049651.db2.gz QAVOLHMSUZKUPY-PDGQHHTCSA-N -1 0 369.852 3.648 50 10 FHCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000001176549 571069783 /nfs/dbraw/zinc/06/97/83/571069783.db2.gz ZLWLGDPVSRFLKF-LICLKQGHSA-N -1 0 351.406 3.643 50 10 aggregator FHCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C)c(Cl)c3)C2=O)c1 ZINC000101350276 571076452 /nfs/dbraw/zinc/07/64/52/571076452.db2.gz XLCMSEWEBZJXNJ-XNTDXEJSSA-N -1 0 369.808 3.536 50 10 FHCARM Cc1cc2oc(=O)cc(C)c2c([O-])c1C1=NN[C@H](c2ccc(F)cc2F)C1 ZINC000012389540 571082586 /nfs/dbraw/zinc/08/25/86/571082586.db2.gz SQPSRLKTACMPRO-AWEZNQCLSA-N -1 0 370.355 3.832 50 10 FHCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000002507235 571203911 /nfs/dbraw/zinc/20/39/11/571203911.db2.gz NWQSFOUKECDTIE-IAOKNECISA-N -1 0 360.460 3.622 50 10 biogenic FHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(C)c4ccccc34)C2=O)cc1C ZINC000006898086 571253891 /nfs/dbraw/zinc/25/38/91/571253891.db2.gz AOBRNIQOWVNRKI-WQRHYEAKSA-N -1 0 373.412 3.666 50 10 FHCARM COc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000012032580 571322244 /nfs/dbraw/zinc/32/22/44/571322244.db2.gz YODDOVXWAXEELX-DHDCSXOGSA-N -1 0 371.439 3.799 50 10 FHCARM Cc1ccc(-c2[nH]nc3nc(-c4ccc(O)c(O)c4)cc(C(=O)[O-])c32)cc1 ZINC000020134862 571328067 /nfs/dbraw/zinc/32/80/67/571328067.db2.gz ALHPRVFPBBPNTG-UHFFFAOYSA-N -1 0 361.357 3.710 50 10 FHCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000002996634 945110108 /nfs/dbraw/zinc/11/01/08/945110108.db2.gz FQMDECHUGXFJEX-UNOMPAQXSA-N -1 0 374.371 3.641 50 10 FHCARM CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000100221940 209212143 /nfs/dbraw/zinc/21/21/43/209212143.db2.gz JCUWDKHAHUMILI-OQLLNIDSSA-N -1 0 370.792 3.610 50 10 FHCARM CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000100148716 209210530 /nfs/dbraw/zinc/21/05/30/209210530.db2.gz AHVYYNOBXFUYOX-GDNBJRDFSA-N -1 0 355.781 3.757 50 10 FHCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000001811419 206896520 /nfs/dbraw/zinc/89/65/20/206896520.db2.gz CSIAIHVXCOTWLB-RAXLEYEMSA-N -1 0 353.440 3.672 50 10 FHCARM COc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)[O-])c2)N=C1C ZINC000004477156 207021729 /nfs/dbraw/zinc/02/17/29/207021729.db2.gz ROLGTJHUTHHXHE-ZROIWOOFSA-N -1 0 370.792 3.853 50 10 FHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000004471555 207020737 /nfs/dbraw/zinc/02/07/37/207020737.db2.gz OWXZFQPZSLKYRO-GDNBJRDFSA-N -1 0 374.318 3.680 50 10 FHCARM Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](C)C(=O)[O-])C3=O)o2)cc1 ZINC000005032403 207074440 /nfs/dbraw/zinc/07/44/40/207074440.db2.gz IFUPSQQVIUOHCB-PDICVPPASA-N -1 0 373.455 3.929 50 10 FHCARM CCCCOc1ccc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000005420529 207099538 /nfs/dbraw/zinc/09/95/38/207099538.db2.gz WYRHSRQLOPNMAY-AQTBWJFISA-N -1 0 370.836 3.980 50 10 FHCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000006133305 207130952 /nfs/dbraw/zinc/13/09/52/207130952.db2.gz VGIFXQDHKSESDU-DLEKYWELSA-N -1 0 369.467 3.584 50 10 FHCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000033938827 208103433 /nfs/dbraw/zinc/10/34/33/208103433.db2.gz CAGJRYSRVCDBSE-QGOAFFKASA-N -1 0 369.852 3.648 50 10 FHCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)cc1 ZINC000001201052 132380922 /nfs/dbraw/zinc/38/09/22/132380922.db2.gz XGUXIDPONDOCQT-GZTJUZNOSA-N -1 0 352.365 3.616 50 10 FHCARM CSc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000001214499 132381134 /nfs/dbraw/zinc/38/11/34/132381134.db2.gz GVCWAYQJPHSFPA-GZTJUZNOSA-N -1 0 366.442 3.692 50 10 FHCARM O=C([O-])CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000000966936 570466902 /nfs/dbraw/zinc/46/69/02/570466902.db2.gz ZHHOJDLWKZTHKF-POHAHGRESA-N -1 0 362.259 3.669 50 10 FHCARM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1cccc2nonc21 ZINC000001033399 570472879 /nfs/dbraw/zinc/47/28/79/570472879.db2.gz ACFCAINEFSXQMT-UHFFFAOYSA-N -1 0 367.386 3.816 50 10 FHCARM Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000001176349 570488350 /nfs/dbraw/zinc/48/83/50/570488350.db2.gz LXPWERSRILJZBC-OVCLIPMQSA-N -1 0 372.471 3.590 50 10 FHCARM CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000100148712 570524324 /nfs/dbraw/zinc/52/43/24/570524324.db2.gz JPLXEMSPURQRRE-OQLLNIDSSA-N -1 0 373.771 3.896 50 10 FHCARM CC1=NN(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1OCC(=O)[O-] ZINC000013914567 570796331 /nfs/dbraw/zinc/79/63/31/570796331.db2.gz AAQWNEYVTCIJCO-UVTDQMKNSA-N -1 0 370.792 3.610 50 10 FHCARM CCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c([O-])c(Cl)c3)C2=N)S1 ZINC000101400196 570819303 /nfs/dbraw/zinc/81/93/03/570819303.db2.gz DNJPEVXZGAPYLR-HAJJKWBBSA-N -1 0 369.233 3.728 50 10 FHCARM Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000016116019 570850592 /nfs/dbraw/zinc/85/05/92/570850592.db2.gz WBWDKBFGHJVMFE-NSIKDUERSA-N -1 0 350.205 3.581 50 10 FHCARM CN(C)c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1 ZINC000017163360 570869970 /nfs/dbraw/zinc/86/99/70/570869970.db2.gz MTZOXFWDKHNLEB-SDNWHVSQSA-N -1 0 369.421 3.563 50 10 FHCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000001300968 571048235 /nfs/dbraw/zinc/04/82/35/571048235.db2.gz KMGMFRUEPBZCGG-RDQDRAATSA-N -1 0 355.868 3.650 50 10 FHCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O ZINC000009059136 571094326 /nfs/dbraw/zinc/09/43/26/571094326.db2.gz NKACYUJRPBJWPM-JYRVWZFOSA-N -1 0 372.764 3.561 50 10 FHCARM Cc1oc2c(ccc([O-])c2CN2CCCOC2)c(=O)c1-c1ccccc1F ZINC000032501405 571109971 /nfs/dbraw/zinc/10/99/71/571109971.db2.gz PABCRPHPIMCWFX-UHFFFAOYSA-N -1 0 369.392 3.793 50 10 FHCARM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000001167020 571149089 /nfs/dbraw/zinc/14/90/89/571149089.db2.gz WBWDKBFGHJVMFE-MKMNVTDBSA-N -1 0 350.205 3.581 50 10 FHCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001831030 571197381 /nfs/dbraw/zinc/19/73/81/571197381.db2.gz GAVXWEDWPSEUAS-SUIFULHWSA-N -1 0 361.469 3.775 50 10 FHCARM CCCCC(=O)N[C@@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000002470727 931829735 /nfs/dbraw/zinc/82/97/35/931829735.db2.gz WOPMNHIPUZXLPC-QGZVFWFLSA-N -1 0 369.377 3.837 50 10 FHCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)cc1 ZINC000005061532 947927712 /nfs/dbraw/zinc/92/77/12/947927712.db2.gz XGUXIDPONDOCQT-BOPFTXTBSA-N -1 0 352.365 3.616 50 10 FHCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000000966951 209384558 /nfs/dbraw/zinc/38/45/58/209384558.db2.gz DZVDOOCKVWUHRD-XJTUIXCYSA-N -1 0 362.259 3.668 50 10 FHCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc3cccnc23)SC1=S ZINC000013682323 220084652 /nfs/dbraw/zinc/08/46/52/220084652.db2.gz ZJACWKAPJMQFHV-UZGISAJGSA-N -1 0 372.471 3.545 50 10 FHCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)cc1 ZINC000002260996 206907104 /nfs/dbraw/zinc/90/71/04/206907104.db2.gz BNDFMCCUPVWZIW-ZROIWOOFSA-N -1 0 359.403 3.930 50 10 FHCARM COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc1 ZINC000004524180 207025175 /nfs/dbraw/zinc/02/51/75/207025175.db2.gz MJRJPJADHWIEBX-DHDCSXOGSA-N -1 0 370.792 3.853 50 10 FHCARM CCCN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O ZINC000004739671 207044724 /nfs/dbraw/zinc/04/47/24/207044724.db2.gz JWIVKCZBWJYDSZ-NTEUORMPSA-N -1 0 374.780 3.601 50 10 FHCARM O=c1c2ccc3c(c2[n-]n1-c1ccccc1Cl)C(=O)c1ccccc1C3=O ZINC000005119054 207082397 /nfs/dbraw/zinc/08/23/97/207082397.db2.gz HPFJHZGTCSCKMA-UHFFFAOYSA-N -1 0 374.783 3.748 50 10 FHCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000006112204 207129675 /nfs/dbraw/zinc/12/96/75/207129675.db2.gz VOSYPXSHMLLTKA-YVGNARHYSA-N -1 0 373.430 3.853 50 10 FHCARM CCc1cccc2c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c[nH]c21 ZINC000007166626 207190353 /nfs/dbraw/zinc/19/03/53/207190353.db2.gz XZNPZBSLXNHUQA-ZROIWOOFSA-N -1 0 374.487 3.796 50 10 FHCARM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=S)NC3=O)o2)c1 ZINC000012428459 207373418 /nfs/dbraw/zinc/37/34/18/207373418.db2.gz KGMMIKDTDKZXDL-SDQBBNPISA-N -1 0 365.819 3.787 50 10 FHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cl)C2=O)cc1C ZINC000001180276 132380727 /nfs/dbraw/zinc/38/07/27/132380727.db2.gz JYROGZXVFQGFQL-XNTDXEJSSA-N -1 0 354.793 3.623 50 10 FHCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(Cl)c1 ZINC000001214213 132381082 /nfs/dbraw/zinc/38/10/82/132381082.db2.gz FPUNLASCYRHLJA-NTEUORMPSA-N -1 0 361.184 3.660 50 10 FHCARM CCn1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c2ccccc21 ZINC000002245450 132382768 /nfs/dbraw/zinc/38/27/68/132382768.db2.gz PHASITRWOXZAEA-SFQUDFHCSA-N -1 0 373.412 3.840 50 10 FHCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1C ZINC000008769944 132843907 /nfs/dbraw/zinc/84/39/07/132843907.db2.gz GPEHVQMXTUXNGC-MHWRWJLKSA-N -1 0 367.474 3.930 50 10 FHCARM COc1ccc(Cl)cc1/C=C1/C(=O)N(c2cccc(C(=O)[O-])c2)N=C1C ZINC000033342639 568497896 /nfs/dbraw/zinc/49/78/96/568497896.db2.gz BKTLVJWAZRMPEC-MHWRWJLKSA-N -1 0 370.792 3.853 50 10 FHCARM O=C1[N-]N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000000713520 570452082 /nfs/dbraw/zinc/45/20/82/570452082.db2.gz MRWVTIDOFNZVLZ-PJQLUOCWSA-N -1 0 372.211 3.936 50 10 FHCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000001190696 570491268 /nfs/dbraw/zinc/49/12/68/570491268.db2.gz NYFNZROPRHZBME-DKLDRGHMSA-N -1 0 362.259 3.668 50 10 FHCARM O=C([O-])c1cc(/C=C\c2ccc(N3CCOCC3)cc2)nc2ccccc21 ZINC000033527913 570558508 /nfs/dbraw/zinc/55/85/08/570558508.db2.gz AIZKGCWIXTVRGO-YVMONPNESA-N -1 0 360.413 3.940 50 10 FHCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cl)C2=O)c1 ZINC000004704551 570602224 /nfs/dbraw/zinc/60/22/24/570602224.db2.gz ICJVYNFFKBKAMN-XNTDXEJSSA-N -1 0 354.793 3.623 50 10 FHCARM CCC(=S)/C=C1\Sc2ccc(OC)cc2N1CCCS(=O)(=O)[O-] ZINC000002913687 570676000 /nfs/dbraw/zinc/67/60/00/570676000.db2.gz XCCQFFXWHDHDCN-GDNBJRDFSA-N -1 0 373.521 3.507 50 10 FHCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C)c(Cl)c3)C2=O)c1 ZINC000005602880 570680197 /nfs/dbraw/zinc/68/01/97/570680197.db2.gz XLCMSEWEBZJXNJ-GDNBJRDFSA-N -1 0 369.808 3.536 50 10 FHCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccco3)C2=O)cc1 ZINC000008914163 570690128 /nfs/dbraw/zinc/69/01/28/570690128.db2.gz CJOKZQXLSSIEPY-GOBGXLLKSA-N -1 0 350.374 3.830 50 10 FHCARM O=C1/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 ZINC000013841708 570792801 /nfs/dbraw/zinc/79/28/01/570792801.db2.gz YLKOCKIMSAOAIF-NTEUORMPSA-N -1 0 358.400 3.706 50 10 FHCARM O=C([O-])c1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000015012039 570829254 /nfs/dbraw/zinc/82/92/54/570829254.db2.gz ZRQFNDIQVSXCCC-XNTDXEJSSA-N -1 0 355.440 3.786 50 10 FHCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Br)cn1 ZINC000022023084 570937820 /nfs/dbraw/zinc/93/78/20/570937820.db2.gz RMZFCFXRXZNCCX-UVTDQMKNSA-N -1 0 357.211 3.563 50 10 FHCARM Cc1ccc(C=C2C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)s1 ZINC000001306743 571048606 /nfs/dbraw/zinc/04/86/06/571048606.db2.gz OQQCEJZJBGRXMD-XNTDXEJSSA-N -1 0 358.394 3.740 50 10 FHCARM Cc1oc2c(ccc([O-])c2CN2CCCOC2)c(=O)c1-c1ccc(F)cc1 ZINC000032501404 571110012 /nfs/dbraw/zinc/11/00/12/571110012.db2.gz HYWIKEACBWJBQQ-UHFFFAOYSA-N -1 0 369.392 3.793 50 10 FHCARM O=C([O-])c1ccc(N2C(=O)/C(=C/C=C/c3ccco3)SC2=S)cc1 ZINC000013804274 571121266 /nfs/dbraw/zinc/12/12/66/571121266.db2.gz BLVZVIDXAYKHEY-NQDFZQDQSA-N -1 0 357.412 3.940 50 10 FHCARM Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(Br)cc3)C2=O)cc1C ZINC000001055755 571144383 /nfs/dbraw/zinc/14/43/83/571144383.db2.gz RDQUBXHMJSELBM-MHWRWJLKSA-N -1 0 371.234 3.527 50 10 FHCARM O=C(CCc1cccc(F)c1F)NCc1cc(Br)ccc1O ZINC000253417754 571312620 /nfs/dbraw/zinc/31/26/20/571312620.db2.gz FTXBJPZMXBGLQS-UHFFFAOYSA-N -1 0 370.193 3.682 50 10 FHCARM Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](C)C(=O)[O-])C3=O)o2)cc1 ZINC000005429193 219678035 /nfs/dbraw/zinc/67/80/35/219678035.db2.gz IFUPSQQVIUOHCB-ZRRZQRFHSA-N -1 0 373.455 3.929 50 10 FHCARM COc1cccc(N=C(C)c2c(C)[n-]n(-c3ccccc3)c2=O)c1OC ZINC000100423138 209213025 /nfs/dbraw/zinc/21/30/25/209213025.db2.gz HSOKWGDTKWUTOF-AQTBWJFISA-N -1 0 351.406 3.812 50 10 FHCARM CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCC(=O)[O-] ZINC000100316677 209211770 /nfs/dbraw/zinc/21/17/70/209211770.db2.gz DJFOZOULCBVXPX-GHRIWEEISA-N -1 0 364.401 3.736 50 10 FHCARM O=S(=O)([N-]c1nc(-c2ccc(F)c(F)c2)cs1)c1cccs1 ZINC000004297061 207011578 /nfs/dbraw/zinc/01/15/78/207011578.db2.gz XYNAZVCYZMLOLG-UHFFFAOYSA-N -1 0 358.416 3.951 50 10 FHCARM O=c1c2ccc3c(c2[n-]n1-c1ccc(Cl)cc1)C(=O)c1ccccc1C3=O ZINC000004309881 207012687 /nfs/dbraw/zinc/01/26/87/207012687.db2.gz SRNXZDOELWBLAV-UHFFFAOYSA-N -1 0 374.783 3.748 50 10 FHCARM CC(=O)Nc1sc(C)c(C)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1 ZINC000004322882 207013377 /nfs/dbraw/zinc/01/33/77/207013377.db2.gz UWOGLBOIVXEWRS-WUKNDPDISA-N -1 0 353.425 3.985 50 10 FHCARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc([N+](=O)[O-])c1 ZINC000004545046 207026865 /nfs/dbraw/zinc/02/68/65/207026865.db2.gz YQYHAYXXCMXDCT-FMQUCBEESA-N -1 0 366.337 3.860 50 10 FHCARM O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)cc1Cl ZINC000004739901 207045501 /nfs/dbraw/zinc/04/55/01/207045501.db2.gz BPDXJSGRBJYKDO-WUXMJOGZSA-N -1 0 365.819 3.787 50 10 FHCARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c1 ZINC000005214682 207087543 /nfs/dbraw/zinc/08/75/43/207087543.db2.gz KZPMAUJRJISOLI-RIYZIHGNSA-N -1 0 359.403 3.930 50 10 FHCARM NC(=O)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1 ZINC000006804473 207167284 /nfs/dbraw/zinc/16/72/84/207167284.db2.gz KAGCCQGHXLBBBU-UHFFFAOYSA-N -1 0 368.820 3.914 50 10 FHCARM CSc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000001184179 132380821 /nfs/dbraw/zinc/38/08/21/132380821.db2.gz WSPDGHJKBIBSNB-GZTJUZNOSA-N -1 0 366.442 3.692 50 10 FHCARM O=C1[N-]N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000000713522 570452088 /nfs/dbraw/zinc/45/20/88/570452088.db2.gz MRWVTIDOFNZVLZ-WCSRMQSCSA-N -1 0 372.211 3.936 50 10 FHCARM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000017906387 570767163 /nfs/dbraw/zinc/76/71/63/570767163.db2.gz DSRKFQAECDZCIC-SNVBAGLBSA-N -1 0 366.826 3.751 50 10 FHCARM O=C1/C(=C\c2cccc([N+](=O)[O-])c2[O-])SC(=S)N1c1ccccc1 ZINC000013476997 570778448 /nfs/dbraw/zinc/77/84/48/570778448.db2.gz YIDLGHGPBRDDHS-UKTHLTGXSA-N -1 0 358.400 3.706 50 10 FHCARM CC(C)(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1 ZINC000014010854 570801614 /nfs/dbraw/zinc/80/16/14/570801614.db2.gz AHJUOXATJYIYBJ-BOPFTXTBSA-N -1 0 366.392 3.790 50 10 FHCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)o1 ZINC000004690466 571161775 /nfs/dbraw/zinc/16/17/75/571161775.db2.gz SKEJGIRIFPOIRA-MHWRWJLKSA-N -1 0 354.431 3.543 50 10 FHCARM CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000006210125 571166608 /nfs/dbraw/zinc/16/66/08/571166608.db2.gz BAPFYFDTKSEOOR-DHDCSXOGSA-N -1 0 373.455 3.524 50 10 FHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000019335044 571324332 /nfs/dbraw/zinc/32/43/32/571324332.db2.gz GFIIXPMEWGTEQK-YBEGLDIGSA-N -1 0 361.357 3.683 50 10 FHCARM CC(C)[C@@H]1CC(=O)Oc2c(O)c([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096114874 571334476 /nfs/dbraw/zinc/33/44/76/571334476.db2.gz RWOIKNLTSBNMMX-LBPRGKRZSA-N -1 0 366.369 3.920 50 10 FHCARM COC(=O)c1ccccc1N=C(C)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O ZINC000100423116 209213128 /nfs/dbraw/zinc/21/31/28/209213128.db2.gz FPKDXDRKQXJCQR-PDGQHHTCSA-N -1 0 367.380 3.721 50 10 FHCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000002700212 206799014 /nfs/dbraw/zinc/79/90/14/206799014.db2.gz NWQSFOUKECDTIE-HRYODUOUSA-N -1 0 360.460 3.622 50 10 biogenic FHCARM CN1C(=O)/C(=C/c2cc(Cl)cc(Br)c2[O-])SC1=S ZINC000001204813 206868868 /nfs/dbraw/zinc/86/88/68/206868868.db2.gz LWIMCHAMXAGRRN-BAQGIRSFSA-N -1 0 364.673 3.639 50 10 FHCARM O=S(=O)([O-])c1cccc(NN=Nc2ccc(Br)cc2)c1 ZINC000004996363 207070979 /nfs/dbraw/zinc/07/09/79/207070979.db2.gz DSPGYPPAGHWCCL-UHFFFAOYSA-N -1 0 356.201 3.807 50 10 FHCARM O=S(=O)([N-]c1nc(-c2ccccc2)cs1)c1c(F)cccc1F ZINC000007052449 207185211 /nfs/dbraw/zinc/18/52/11/207185211.db2.gz FGTIAOKKRRFCDX-UHFFFAOYSA-N -1 0 352.387 3.889 50 10 FHCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S ZINC000008993562 207253898 /nfs/dbraw/zinc/25/38/98/207253898.db2.gz AVHQZCQEUPWHLL-AAWPKVBNSA-N -1 0 372.471 3.545 50 10 FHCARM CCOc1ccc(N2C(=O)C(=Cc3ccc(C)o3)C(=O)[N-]C2=S)cc1 ZINC000000753701 132378315 /nfs/dbraw/zinc/37/83/15/132378315.db2.gz STMMESPXOHBTOU-XNTDXEJSSA-N -1 0 356.403 3.658 50 10 FHCARM O=C(c1sc2ccccc2c1[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000000984231 132379467 /nfs/dbraw/zinc/37/94/67/132379467.db2.gz LDXXVZOTBSTXDE-UHFFFAOYSA-N -1 0 356.422 3.708 50 10 FHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3)C2=O)cc1Cl ZINC000001163178 132380545 /nfs/dbraw/zinc/38/05/45/132380545.db2.gz PCFVJWZLYSNAGT-ZCPHBQKFSA-N -1 0 366.804 3.871 50 10 FHCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cnn(-c3ccccc3)c2)C1=O ZINC000001183428 132380828 /nfs/dbraw/zinc/38/08/28/132380828.db2.gz UISFLEPIOGYTGN-GZTJUZNOSA-N -1 0 372.384 3.687 50 10 FHCARM Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)C(=O)[N-]C2=S)cc1 ZINC000001195549 132381039 /nfs/dbraw/zinc/38/10/39/132381039.db2.gz MBGQRUDEWCXOEU-LDADJPATSA-N -1 0 364.470 3.950 50 10 FHCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)cc3)C2=O)c1 ZINC000001205084 132381140 /nfs/dbraw/zinc/38/11/40/132381140.db2.gz WNRZKMSQCSKVAL-MHWRWJLKSA-N -1 0 354.793 3.623 50 10 FHCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/C=C/c1ccccc1 ZINC000001206659 132381207 /nfs/dbraw/zinc/38/12/07/132381207.db2.gz BLDHQAMNZPHZNF-LHQXNBGVSA-N -1 0 368.845 3.728 50 10 FHCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000000966972 570467078 /nfs/dbraw/zinc/46/70/78/570467078.db2.gz VGIFXQDHKSESDU-WMJYUBJYSA-N -1 0 369.467 3.584 50 10 FHCARM COc1ccc(N=C(C)c2c(C)[n-]n(-c3ccccc3)c2=O)c(OC)c1 ZINC000013549957 570779165 /nfs/dbraw/zinc/77/91/65/570779165.db2.gz LDHHPWBQYKMBAR-UYRXBGFRSA-N -1 0 351.406 3.812 50 10 FHCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000001281981 571046404 /nfs/dbraw/zinc/04/64/04/571046404.db2.gz FXHZVTDPWXTFHN-XJTUIXCYSA-N -1 0 362.259 3.668 50 10 FHCARM O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2F)o1 ZINC000001185917 571165601 /nfs/dbraw/zinc/16/56/01/571165601.db2.gz IMKIKVZZZQJSPH-WJDWOHSUSA-N -1 0 366.323 3.686 50 10 FHCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc3cccnc23)SC1=S ZINC000013682320 220083795 /nfs/dbraw/zinc/08/37/95/220083795.db2.gz ZJACWKAPJMQFHV-CTXBLAANSA-N -1 0 372.471 3.545 50 10 FHCARM O=C([O-])c1ccccc1N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000000974431 206850821 /nfs/dbraw/zinc/85/08/21/206850821.db2.gz FQWNPUTZDSORJH-ZROIWOOFSA-N -1 0 359.403 3.930 50 10 FHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)cc3)C2=O)cc1C ZINC000004460735 207020479 /nfs/dbraw/zinc/02/04/79/207020479.db2.gz XNPSSNKIOBAXAB-YBEGLDIGSA-N -1 0 354.793 3.623 50 10 FHCARM CCc1ccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)o2)cc1 ZINC000005032694 207074278 /nfs/dbraw/zinc/07/42/78/207074278.db2.gz WDEYZLUUFDIGOF-OQLLNIDSSA-N -1 0 373.455 3.795 50 10 FHCARM COc1ccc2c3ccc(OCc4ccc(C(=O)[O-])o4)cc3oc(=O)c2c1 ZINC000005543668 207105461 /nfs/dbraw/zinc/10/54/61/207105461.db2.gz DKZHFDVDZFOJDF-UHFFFAOYSA-N -1 0 366.325 3.825 50 10 FHCARM COc1cc(NCc2cc(Br)ccc2O)cc(OC)c1OC ZINC000040477094 208255623 /nfs/dbraw/zinc/25/56/23/208255623.db2.gz LRKWUDZGWNWPBT-UHFFFAOYSA-N -1 0 368.227 3.793 50 10 FHCARM CSc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000001214785 132381147 /nfs/dbraw/zinc/38/11/47/132381147.db2.gz KYXMCXXETANAIO-XNTDXEJSSA-N -1 0 372.833 3.728 50 10 FHCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000001214214 132381211 /nfs/dbraw/zinc/38/12/11/132381211.db2.gz FPUNLASCYRHLJA-ZROIWOOFSA-N -1 0 361.184 3.660 50 10 FHCARM COc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000001200061 570491956 /nfs/dbraw/zinc/49/19/56/570491956.db2.gz VOACMIPOWXSUKS-UHFFFAOYSA-N -1 0 364.423 3.759 50 10 FHCARM CC(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000004825756 570518299 /nfs/dbraw/zinc/51/82/99/570518299.db2.gz RFACVFKUTANMDI-RVDMUPIBSA-N -1 0 352.365 3.616 50 10 FHCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1O ZINC000034234734 570658995 /nfs/dbraw/zinc/65/89/95/570658995.db2.gz LYZCMFMJGJQSAS-DHDCSXOGSA-N -1 0 366.373 3.524 50 10 FHCARM Cc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)o1 ZINC000009323519 570694355 /nfs/dbraw/zinc/69/43/55/570694355.db2.gz SKEJGIRIFPOIRA-YBEGLDIGSA-N -1 0 354.431 3.543 50 10 FHCARM CCCCS(CCCC)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000016662456 570860139 /nfs/dbraw/zinc/86/01/39/570860139.db2.gz ULWBCSQDCANYMH-UHFFFAOYSA-N -1 0 362.495 3.619 50 10 FHCARM CC(C)[C@H](C(=O)[O-])N1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=S ZINC000005214699 570969335 /nfs/dbraw/zinc/96/93/35/570969335.db2.gz FUUSZLZWYHVRQP-SEVUFMINSA-N -1 0 366.420 3.541 50 10 FHCARM O=C([O-])C1=C([N+](=O)[O-])C(=O)C(Cl)=CC1=NNc1ccc([N+](=O)[O-])cc1 ZINC000110459649 571144260 /nfs/dbraw/zinc/14/42/60/571144260.db2.gz WHPBKLJQQYWORM-FOCLMDBBSA-N -1 0 366.673 3.976 50 10 FHCARM CC(C)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1 ZINC000007366939 571264920 /nfs/dbraw/zinc/26/49/20/571264920.db2.gz YAFZEBSMARRTKD-SFQUDFHCSA-N -1 0 365.458 3.554 50 10 FHCARM O=C([O-])CCc1ccc(-c2cccs2)n1CC(=O)Nc1ccccc1 ZINC000004516924 207023505 /nfs/dbraw/zinc/02/35/05/207023505.db2.gz PDSVVZAXOVQTKH-UHFFFAOYSA-N -1 0 354.431 3.873 50 10 FHCARM O=C([O-])c1ccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)cc1 ZINC000005371025 207097680 /nfs/dbraw/zinc/09/76/80/207097680.db2.gz BLVZVIDXAYKHEY-GSPDUGTFSA-N -1 0 357.412 3.940 50 10 FHCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000006112162 207129829 /nfs/dbraw/zinc/12/98/29/207129829.db2.gz VOSYPXSHMLLTKA-IPJDOKCGSA-N -1 0 373.430 3.853 50 10 FHCARM O=c1cc(-c2ccccc2)c2cc(Cl)c([O-])c(CN3CCOCC3)c2o1 ZINC000019789550 220297371 /nfs/dbraw/zinc/29/73/71/220297371.db2.gz ARQUTBBVTIITLU-UHFFFAOYSA-N -1 0 371.820 3.651 50 10 FHCARM CC(C)c1ccc(S(=O)(=O)Nc2c(F)c(F)c([O-])c(F)c2F)cc1 ZINC000095426627 209048991 /nfs/dbraw/zinc/04/89/91/209048991.db2.gz WMQAAWPVELYABN-UHFFFAOYSA-N -1 0 363.332 3.873 50 10 FHCARM CCn1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000001869670 132382496 /nfs/dbraw/zinc/38/24/96/132382496.db2.gz DSGBXFGEOQFETP-SFQUDFHCSA-N -1 0 359.385 3.532 50 10 FHCARM CCCn1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000002246137 132382762 /nfs/dbraw/zinc/38/27/62/132382762.db2.gz ZGYRHYUWUWNCSG-QGOAFFKASA-N -1 0 373.412 3.922 50 10 FHCARM CC(C)(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000002801946 132384083 /nfs/dbraw/zinc/38/40/83/132384083.db2.gz KWTKITPUPLGJRJ-SFQUDFHCSA-N -1 0 366.392 3.790 50 10 FHCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)ccc1O ZINC000034234772 570659101 /nfs/dbraw/zinc/65/91/01/570659101.db2.gz NWBXAGWOSDDJHD-ZROIWOOFSA-N -1 0 366.373 3.524 50 10 FHCARM CSc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000014010793 570801342 /nfs/dbraw/zinc/80/13/42/570801342.db2.gz KYXMCXXETANAIO-GDNBJRDFSA-N -1 0 372.833 3.728 50 10 FHCARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1 ZINC000016160779 570851546 /nfs/dbraw/zinc/85/15/46/570851546.db2.gz WGMJZHIZIFYOLJ-YBEGLDIGSA-N -1 0 356.769 3.967 50 10 FHCARM O=C([O-])c1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O ZINC000016769984 570861988 /nfs/dbraw/zinc/86/19/88/570861988.db2.gz BNQMMOVZPNXQMA-ZROIWOOFSA-N -1 0 359.403 3.930 50 10 FHCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)c1 ZINC000001238475 571043412 /nfs/dbraw/zinc/04/34/12/571043412.db2.gz PAPOHQVLEKVRDA-ZSOIEALJSA-N -1 0 359.403 3.930 50 10 FHCARM Cc1ccc(N2C(=O)C(=Cc3c[nH]c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000008913833 571071832 /nfs/dbraw/zinc/07/18/32/571071832.db2.gz RPMZFZCMTZXHFQ-YBEGLDIGSA-N -1 0 361.426 3.719 50 10 FHCARM CC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]N(c4ccccc4)C3=O)o2)cc1 ZINC000000980747 571141530 /nfs/dbraw/zinc/14/15/30/571141530.db2.gz QGWSVJVCMDAZPK-CPNJWEJPSA-N -1 0 372.380 3.611 50 10 FHCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000001191190 571165475 /nfs/dbraw/zinc/16/54/75/571165475.db2.gz OEJAGYZCNREKQG-LCFDYFRESA-N -1 0 355.868 3.795 50 10 FHCARM O=C1/C(=C\c2cc([N+](=O)[O-])ccc2[O-])SC(=S)N1c1ccccc1 ZINC000016488357 571198890 /nfs/dbraw/zinc/19/88/90/571198890.db2.gz GLVNMDQLYINMQS-NTEUORMPSA-N -1 0 358.400 3.706 50 10 FHCARM CCN(CC)c1ccc(-n2c(C)cc(C=C3NC(=O)[N-]C3=O)c2C)cc1 ZINC000033349560 571236950 /nfs/dbraw/zinc/23/69/50/571236950.db2.gz MOYUFPFXOZLGFO-LDADJPATSA-N -1 0 352.438 3.961 50 10 FHCARM CCCC(=O)N[C@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004124028 571355815 /nfs/dbraw/zinc/35/58/15/571355815.db2.gz QGEZGQTZWHZCIM-GOSISDBHSA-N -1 0 365.389 3.854 50 10 FHCARM CC(=C/c1ccccc1)/C=C1\SC(=S)N([C@H](C(=O)[O-])C(C)C)C1=O ZINC000033403206 209858380 /nfs/dbraw/zinc/85/83/80/209858380.db2.gz WZSFHXDLBDYXPF-AXHZUSAPSA-N -1 0 361.488 3.943 50 10 FHCARM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000100922831 209219321 /nfs/dbraw/zinc/21/93/21/209219321.db2.gz UUHWSZZFKJSUKX-WJDWOHSUSA-N -1 0 350.378 3.930 50 10 FHCARM CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000100148720 209210232 /nfs/dbraw/zinc/21/02/32/209210232.db2.gz AHVYYNOBXFUYOX-XNTDXEJSSA-N -1 0 355.781 3.757 50 10 FHCARM Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](C)C(=O)[O-])C3=O)o2)cc1 ZINC000005032402 207073521 /nfs/dbraw/zinc/07/35/21/207073521.db2.gz IFUPSQQVIUOHCB-GPILYODUSA-N -1 0 373.455 3.929 50 10 FHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000012376560 207367288 /nfs/dbraw/zinc/36/72/88/207367288.db2.gz NDWMSBYUWXNXGT-HKWRFOASSA-N -1 0 370.408 3.727 50 10 in-vivo FHCARM O=C([O-])c1ccccc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000015011475 207540069 /nfs/dbraw/zinc/54/00/69/207540069.db2.gz CRHQFJBLIPEBLK-XNTDXEJSSA-N -1 0 355.440 3.786 50 10 FHCARM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1cccc2nsnc21 ZINC000040150881 208236732 /nfs/dbraw/zinc/23/67/32/208236732.db2.gz VDTRKWYYGGAJLJ-UHFFFAOYSA-N -1 0 374.472 3.616 50 10 FHCARM Cc1ccsc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C)c2C)C1=O ZINC000004742993 132824352 /nfs/dbraw/zinc/82/43/52/132824352.db2.gz XCJZJTNOYYEQFW-UKTHLTGXSA-N -1 0 356.472 3.505 50 10 FHCARM CCn1c(C)cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1C ZINC000001129403 535963625 /nfs/dbraw/zinc/96/36/25/535963625.db2.gz AFLPLDYQJDPQNN-LFIBNONCSA-N -1 0 351.406 3.940 50 10 FHCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccco1 ZINC000017028336 570864946 /nfs/dbraw/zinc/86/49/46/570864946.db2.gz PNQXUDBQKZDLRB-XYOKQWHBSA-N -1 0 361.151 3.549 50 10 FHCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000001281979 571046386 /nfs/dbraw/zinc/04/63/86/571046386.db2.gz FXHZVTDPWXTFHN-HPWAZMHGSA-N -1 0 362.259 3.668 50 10 FHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cccn1-c1ccccc1 ZINC000009013482 571091216 /nfs/dbraw/zinc/09/12/16/571091216.db2.gz HURFLEWOPQUPAH-NBVRZTHBSA-N -1 0 357.369 3.984 50 10 FHCARM O=C([O-])COc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000001581285 206887599 /nfs/dbraw/zinc/88/75/99/206887599.db2.gz VBAIBVDIIFQUDM-GDNBJRDFSA-N -1 0 371.439 3.556 50 10 FHCARM O=C([O-])COc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000016909790 207600941 /nfs/dbraw/zinc/60/09/41/207600941.db2.gz VBAIBVDIIFQUDM-XNTDXEJSSA-N -1 0 371.439 3.556 50 10 FHCARM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000034872648 208114217 /nfs/dbraw/zinc/11/42/17/208114217.db2.gz FXIDJTWHAGDADY-UHFFFAOYSA-N -1 0 369.421 3.563 50 10 FHCARM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)c(C)c1 ZINC000001182010 132380886 /nfs/dbraw/zinc/38/08/86/132380886.db2.gz CAYKQGHCIWZHGN-MDWZMJQESA-N -1 0 369.333 3.620 50 10 FHCARM COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1 ZINC000012504560 263370859 /nfs/dbraw/zinc/37/08/59/263370859.db2.gz VRMAQEDFRXMZMG-KAMYIIQDSA-N -1 0 365.476 3.541 50 10 FHCARM CCn1c(C)cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1C ZINC000001880842 535963336 /nfs/dbraw/zinc/96/33/36/535963336.db2.gz HETRWHOKKMXVCO-CXUHLZMHSA-N -1 0 371.824 3.649 50 10 FHCARM CC(C)=CCc1cc(-c2coc3cc([O-])cc(O)c3c2=O)cc(O)c1O ZINC000014762993 560225846 /nfs/dbraw/zinc/22/58/46/560225846.db2.gz JOQWUUJQWPZLAT-UHFFFAOYSA-N -1 0 354.358 3.791 50 10 biogenic,in-vitro FHCARM O=S(=O)(Nc1cc(Cl)c([O-])c(Br)c1)c1ccccc1 ZINC000001234492 570496209 /nfs/dbraw/zinc/49/62/09/570496209.db2.gz FVBXGZVMKYRZFG-UHFFFAOYSA-N -1 0 362.632 3.609 50 10 FHCARM CCC[C@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-] ZINC000002106115 570514524 /nfs/dbraw/zinc/51/45/24/570514524.db2.gz JPEGRUWLJUUWFY-KRWDZBQOSA-N -1 0 367.401 3.509 50 10 biogenic FHCARM O=c1cc2oc3cc([O-])c(O)cc3c(-c3ccccc3[N+](=O)[O-])c-2cc1O ZINC000004016936 570572685 /nfs/dbraw/zinc/57/26/85/570572685.db2.gz ZULBKXYQNMBEJG-UHFFFAOYSA-N -1 0 365.297 3.590 50 10 FHCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1C ZINC000008738566 570686726 /nfs/dbraw/zinc/68/67/26/570686726.db2.gz PWKHLUGNOGCSFX-MHWRWJLKSA-N -1 0 353.447 3.622 50 10 FHCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N(C)C)cc2)C1=O ZINC000008741259 570686750 /nfs/dbraw/zinc/68/67/50/570686750.db2.gz KZMFPHKKTCYAPY-LGMDPLHJSA-N -1 0 363.417 3.822 50 10 FHCARM CCOc1ccc(C=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000013774060 570790678 /nfs/dbraw/zinc/79/06/78/570790678.db2.gz ONSWWEYRXJCPJJ-GZTJUZNOSA-N -1 0 368.364 3.727 50 10 FHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000014011142 570801654 /nfs/dbraw/zinc/80/16/54/570801654.db2.gz XDITWUFHWLJCQZ-WQLSENKSSA-N -1 0 361.184 3.660 50 10 FHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3)C2=O)cc1Cl ZINC000015013100 570829288 /nfs/dbraw/zinc/82/92/88/570829288.db2.gz PCFVJWZLYSNAGT-FJGPGAONSA-N -1 0 366.804 3.871 50 10 FHCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1nnc(-c2ccccc2)s1 ZINC000103995178 570855768 /nfs/dbraw/zinc/85/57/68/570855768.db2.gz AYYSWTMPRCWCTK-FOWTUZBSSA-N -1 0 361.430 3.924 50 10 FHCARM COc1ccccc1N1C(=O)C(=CC=Cc2ccco2)C(=O)[N-]C1=S ZINC000017124641 570869254 /nfs/dbraw/zinc/86/92/54/570869254.db2.gz QBRKNCNOPOWDMA-GVVZRPPFSA-N -1 0 354.387 3.516 50 10 FHCARM O=C1c2ccccc2N[C@H](c2cc(Cl)cc([N+](=O)[O-])c2[O-])N1C1CC1 ZINC000038364317 571039875 /nfs/dbraw/zinc/03/98/75/571039875.db2.gz QNJCEZBEXAOKQN-INIZCTEOSA-N -1 0 359.769 3.683 50 10 FHCARM O=C([O-])CCCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000001207822 571166054 /nfs/dbraw/zinc/16/60/54/571166054.db2.gz NMYDPSCPARBVHD-PTNGSMBKSA-N -1 0 357.456 3.906 50 10 FHCARM O=C1c2nc(-c3c(F)c(F)c(F)c(F)c3F)[n-]c2C(=O)c2ccccc21 ZINC000002907165 935965092 /nfs/dbraw/zinc/96/50/92/935965092.db2.gz VEDVYFSKPKXOQU-UHFFFAOYSA-N -1 0 364.229 3.548 50 10 FHCARM CCC(=S)/C=C1/Sc2ccc(OC)cc2N1CCCS(=O)(=O)[O-] ZINC000106837428 945410424 /nfs/dbraw/zinc/41/04/24/945410424.db2.gz XCCQFFXWHDHDCN-XNTDXEJSSA-N -1 0 373.521 3.507 50 10 FHCARM C[C@@H]1CN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4)coc32)C[C@@H](C)O1 ZINC000019497513 210236556 /nfs/dbraw/zinc/23/65/56/210236556.db2.gz CGKRXLVATORLPE-HUUCEWRRSA-N -1 0 365.429 3.775 50 10 FHCARM O=S(=O)([N-]c1nc(-c2ccccc2)cs1)c1ccc(Cl)nc1 ZINC000000703773 219314131 /nfs/dbraw/zinc/31/41/31/219314131.db2.gz SPKMKFGDOGADPO-UHFFFAOYSA-N -1 0 351.840 3.659 50 10 FHCARM CN(C)c1ccc(-c2c3c(=O)[nH]nc-3[n-]c3c2C(=O)c2ccccc2-3)cc1 ZINC000018196162 211193225 /nfs/dbraw/zinc/19/32/25/211193225.db2.gz ZUTSPVTWZIYDAQ-UHFFFAOYSA-N -1 0 356.385 3.608 50 10 FHCARM CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cccc(C(=O)[O-])c1 ZINC000016160822 211156925 /nfs/dbraw/zinc/15/69/25/211156925.db2.gz DDLISHIUGJYMHR-YBEGLDIGSA-N -1 0 355.781 3.757 50 10 FHCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccccc3)cc2)SC1=S ZINC000003532607 210486007 /nfs/dbraw/zinc/48/60/07/210486007.db2.gz MZRQRBAXYNSSEV-XNTDXEJSSA-N -1 0 355.440 3.639 50 10 FHCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000001177559 210330818 /nfs/dbraw/zinc/33/08/18/210330818.db2.gz UEIQGLGPUCOYPS-LICLKQGHSA-N -1 0 351.406 3.643 50 10 FHCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccc3ccccc23)C1=O ZINC000001067011 132379850 /nfs/dbraw/zinc/37/98/50/132379850.db2.gz SYLJBEULWUJWQL-QGOAFFKASA-N -1 0 356.381 3.815 50 10 FHCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccc4ccccc34)C2=O)c1 ZINC000001199454 132381031 /nfs/dbraw/zinc/38/10/31/132381031.db2.gz PJIBFZZCQSMDMB-CPNJWEJPSA-N -1 0 356.381 3.815 50 10 FHCARM Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)s1 ZINC000002287005 132382999 /nfs/dbraw/zinc/38/29/99/132382999.db2.gz RVTPKKBZHHLRAS-DHDCSXOGSA-N -1 0 354.431 3.648 50 10 FHCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1nnc(-c2ccccc2)s1 ZINC000100501317 222245393 /nfs/dbraw/zinc/24/53/93/222245393.db2.gz AYYSWTMPRCWCTK-VBKFSLOCSA-N -1 0 361.430 3.924 50 10 FHCARM Cc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3O)C2)cc1 ZINC000005043653 570579046 /nfs/dbraw/zinc/57/90/46/570579046.db2.gz VNIAZSLLACPKAA-SFHVURJKSA-N -1 0 366.417 3.633 50 10 FHCARM CCCc1nnc(N=Cc2c(C)[n-]n(-c3ccc(Cl)cc3)c2=O)s1 ZINC000101141910 570817173 /nfs/dbraw/zinc/81/71/73/570817173.db2.gz YVYJROWMGFFOHT-UKTHLTGXSA-N -1 0 361.858 3.863 50 10 FHCARM O=C1/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1 ZINC000036385991 571080152 /nfs/dbraw/zinc/08/01/52/571080152.db2.gz KSNBAPVKBUESBE-DHDCSXOGSA-N -1 0 372.427 3.702 50 10 FHCARM Cn1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000013774515 571114559 /nfs/dbraw/zinc/11/45/59/571114559.db2.gz OPPKIZVINNCWDV-YBEGLDIGSA-N -1 0 363.348 3.824 50 10 FHCARM O=C([O-])CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1O ZINC000079060700 571326808 /nfs/dbraw/zinc/32/68/08/571326808.db2.gz CKWMIRVZHIOSHP-MRXNPFEDSA-N -1 0 372.808 3.588 50 10 FHCARM O=C([O-])CCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000002824659 571341277 /nfs/dbraw/zinc/34/12/77/571341277.db2.gz ZUPWWCFFFPOUJN-POHAHGRESA-N -1 0 362.259 3.669 50 10 FHCARM CC(C)C(=O)N[C@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000002814377 571341293 /nfs/dbraw/zinc/34/12/93/571341293.db2.gz OBRFLLNCMPSLCI-QGZVFWFLSA-N -1 0 365.389 3.710 50 10 FHCARM O=C([O-])c1ccccc1/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000016192779 211156710 /nfs/dbraw/zinc/15/67/10/211156710.db2.gz TZGZNMXZQZTQMQ-ZROIWOOFSA-N -1 0 359.403 3.930 50 10 FHCARM CCCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000015229535 211125193 /nfs/dbraw/zinc/12/51/93/211125193.db2.gz WSFHFOOTEXUSST-KAMYIIQDSA-N -1 0 365.476 3.541 50 10 FHCARM COC(=O)c1ccc([C@@H]2Nc3ccc(CC(=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000014944223 211103541 /nfs/dbraw/zinc/10/35/41/211103541.db2.gz BMYSBHIBTWFUFS-LZJOCLMNSA-N -1 0 363.413 3.927 50 10 FHCARM Cn1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000013775288 211057976 /nfs/dbraw/zinc/05/79/76/211057976.db2.gz NQXOGHWQMQBOFD-BOPFTXTBSA-N -1 0 359.385 3.681 50 10 FHCARM CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000001805105 210371530 /nfs/dbraw/zinc/37/15/30/210371530.db2.gz CWGFMGDLCSEMEU-QVTJDRNWSA-N -1 0 374.487 3.868 50 10 FHCARM O=C([O-])CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000000966931 210296766 /nfs/dbraw/zinc/29/67/66/210296766.db2.gz CNGJMAUHDZUGMC-YHYXMXQVSA-N -1 0 362.259 3.669 50 10 FHCARM CCOc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000002276918 132253367 /nfs/dbraw/zinc/25/33/67/132253367.db2.gz YSAMXAMNISAMKE-LFIBNONCSA-N -1 0 370.405 3.896 50 10 FHCARM Cc1ccsc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000000980369 132379384 /nfs/dbraw/zinc/37/93/84/132379384.db2.gz HOTIQEVENVZZOO-NTEUORMPSA-N -1 0 356.472 3.505 50 10 FHCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000002892792 570543141 /nfs/dbraw/zinc/54/31/41/570543141.db2.gz RKEBXMZJVRZVJX-VBKFSLOCSA-N -1 0 373.840 3.605 50 10 FHCARM COc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)SC2=S)cc1 ZINC000004950043 570614839 /nfs/dbraw/zinc/61/48/39/570614839.db2.gz KPOFUOVEENBTTQ-XNTDXEJSSA-N -1 0 371.439 3.799 50 10 FHCARM CCCc1nnc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3C)c2=O)s1 ZINC000101350312 571076405 /nfs/dbraw/zinc/07/64/05/571076405.db2.gz BTRNCVIXSLATAS-UVTDQMKNSA-N -1 0 355.467 3.826 50 10 FHCARM Cc1cc2oc(=O)c3c(c2c([O-])c1C1=NN[C@@H](c2ccccc2)C1)CCC3 ZINC000012388914 571077576 /nfs/dbraw/zinc/07/75/76/571077576.db2.gz LOIATTBTKJARJH-MRXNPFEDSA-N -1 0 360.413 3.734 50 10 FHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3nc4ccccc4[nH]3)C2=O)cc1 ZINC000006785475 571246415 /nfs/dbraw/zinc/24/64/15/571246415.db2.gz QNYFUAWNXPOSSU-KAMYIIQDSA-N -1 0 360.373 3.632 50 10 FHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cccc(Br)c1 ZINC000017113166 571275156 /nfs/dbraw/zinc/27/51/56/571275156.db2.gz ULLUSRLWUGLJBY-GXDHUFHOSA-N -1 0 371.190 3.956 50 10 FHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3coc4ccccc4c3=O)C2=O)cc1 ZINC000020332173 571328734 /nfs/dbraw/zinc/32/87/34/571328734.db2.gz XNVIJVSFTRNELP-YBEGLDIGSA-N -1 0 374.352 3.608 50 10 FHCARM CCCCC(=O)N[C@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000002470730 931829966 /nfs/dbraw/zinc/82/99/66/931829966.db2.gz WOPMNHIPUZXLPC-KRWDZBQOSA-N -1 0 369.377 3.837 50 10 FHCARM CCc1oc2ccccc2c1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O ZINC000097999041 941316666 /nfs/dbraw/zinc/31/66/66/941316666.db2.gz XAGJEZPGGHMXOF-NTEUORMPSA-N -1 0 361.444 3.671 50 10 FHCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccc3ccccc23)C1=O ZINC000005043590 947901091 /nfs/dbraw/zinc/90/10/91/947901091.db2.gz OQWJNTWULOONCP-LGMDPLHJSA-N -1 0 372.380 3.515 50 10 FHCARM O=C([O-])c1ccccc1/C=C1/SC(=S)N(c2ccc(F)cc2)C1=O ZINC000001236524 210338601 /nfs/dbraw/zinc/33/86/01/210338601.db2.gz BNQMMOVZPNXQMA-NTEUORMPSA-N -1 0 359.403 3.930 50 10 FHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000001200805 132380973 /nfs/dbraw/zinc/38/09/73/132380973.db2.gz LBEGDEHXSIFCSW-XNTDXEJSSA-N -1 0 374.318 3.680 50 10 FHCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c[nH]c3ccccc23)C1=O ZINC000001302417 132381499 /nfs/dbraw/zinc/38/14/99/132381499.db2.gz MKCZKJRFDCYZPU-GXDHUFHOSA-N -1 0 361.357 3.683 50 10 FHCARM CC(C)[C@H]1CC(=O)Oc2c(O)c([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096114875 222031312 /nfs/dbraw/zinc/03/13/12/222031312.db2.gz RWOIKNLTSBNMMX-GFCCVEGCSA-N -1 0 366.369 3.920 50 10 FHCARM O=C1c2c([O-])c(Cl)c(Cl)c(O)c2C(=O)[C@H]2Cc3ccccc3C[C@H]12 ZINC000100356744 222241728 /nfs/dbraw/zinc/24/17/28/222241728.db2.gz AWHCYSWQJIHNOH-UWVGGRQHSA-N -1 0 363.196 3.815 50 10 FHCARM CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cccnc1 ZINC000100423157 222244248 /nfs/dbraw/zinc/24/42/48/222244248.db2.gz QCIXRQMSOGUAEG-RGEXLXHISA-N -1 0 350.422 3.979 50 10 FHCARM Cc1ccc(C)c(-n2[n-]c3c(ccc4c3C(=O)c3ccccc3C4=O)c2=O)c1 ZINC000100432906 222244271 /nfs/dbraw/zinc/24/42/71/222244271.db2.gz YLEZXSKABRLMNO-UHFFFAOYSA-N -1 0 368.392 3.711 50 10 FHCARM COc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)[O-])C1=O ZINC000012504559 263370738 /nfs/dbraw/zinc/37/07/38/263370738.db2.gz BFXVGOWNUZLOQR-KAMYIIQDSA-N -1 0 365.476 3.541 50 10 FHCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cl)s2)C1=O ZINC000000634927 521851872 /nfs/dbraw/zinc/85/18/72/521851872.db2.gz ZOEAOSGDDYWPJO-FMIVXFBMSA-N -1 0 360.822 3.630 50 10 FHCARM COc1ccccc1[C@@H]1CC(c2c(C)cc3oc(=O)cc(C)c3c2[O-])=NN1 ZINC000012322678 568161758 /nfs/dbraw/zinc/16/17/58/568161758.db2.gz LVBZUYITPZOMBN-AWEZNQCLSA-N -1 0 364.401 3.563 50 10 FHCARM COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)cc1 ZINC000004942490 570564785 /nfs/dbraw/zinc/56/47/85/570564785.db2.gz KEOHLVNGZDMKRO-GOSISDBHSA-N -1 0 362.385 3.985 50 10 FHCARM Cc1ccc(NC(=O)c2ccc3c(c2[O-])C(=O)c2ccccc2C3=O)cc1 ZINC000004891435 570612272 /nfs/dbraw/zinc/61/22/72/570612272.db2.gz RKOJXKDFSRUBHR-UHFFFAOYSA-N -1 0 357.365 3.728 50 10 FHCARM Cc1ccccc1NC(=O)c1ccc2c(c1[O-])C(=O)c1ccccc1C2=O ZINC000005044362 570619221 /nfs/dbraw/zinc/61/92/21/570619221.db2.gz VTEFJVLOAAFXCX-UHFFFAOYSA-N -1 0 357.365 3.728 50 10 FHCARM O=C([O-])CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S ZINC000002698200 570664069 /nfs/dbraw/zinc/66/40/69/570664069.db2.gz KYPPPNJVSYMDJB-GXDHUFHOSA-N -1 0 359.428 3.623 50 10 FHCARM COc1ccc(N2C(=O)C(=CC=Cc3ccco3)C(=O)[N-]C2=S)cc1 ZINC000017146413 570869391 /nfs/dbraw/zinc/86/93/91/570869391.db2.gz KEBBVAUQERDWIL-RPGBBNPCSA-N -1 0 354.387 3.516 50 10 FHCARM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1 ZINC000017160005 570869681 /nfs/dbraw/zinc/86/96/81/570869681.db2.gz RJYVWFORINJJIE-JLHYYAGUSA-N -1 0 356.378 3.506 50 10 FHCARM Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C1=NN[C@@H](c2cccs2)C1 ZINC000012389704 571082530 /nfs/dbraw/zinc/08/25/30/571082530.db2.gz BEFVQFZUQGIWTD-GFCCVEGCSA-N -1 0 354.431 3.924 50 10 FHCARM Cc1cc2oc(=O)cc(C)c2c([O-])c1C1=NN[C@@H](c2ccc(F)cc2F)C1 ZINC000012389539 571082611 /nfs/dbraw/zinc/08/26/11/571082611.db2.gz SQPSRLKTACMPRO-CQSZACIVSA-N -1 0 370.355 3.832 50 10 FHCARM CC(C)Cc1c2oc3c(ccc(O)c3[O-])c2nc2c1c(=O)[nH]n2C(C)C ZINC000085876437 571127119 /nfs/dbraw/zinc/12/71/19/571127119.db2.gz OMOBBCNGEHTXPB-UHFFFAOYSA-N -1 0 355.394 3.815 50 10 FHCARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cccc([N+](=O)[O-])c1 ZINC000095471560 571330616 /nfs/dbraw/zinc/33/06/16/571330616.db2.gz SJQSZICOZRJLSP-YBEGLDIGSA-N -1 0 356.769 3.967 50 10 FHCARM Cc1ccc(/C=C2/SC(=S)N(c3ccc(CC(=O)[O-])cc3)C2=O)o1 ZINC000004291538 571357743 /nfs/dbraw/zinc/35/77/43/571357743.db2.gz YDMWNFFTIVPPLN-NTEUORMPSA-N -1 0 359.428 3.621 50 10 FHCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000000686936 219313619 /nfs/dbraw/zinc/31/36/19/219313619.db2.gz DBMRTLUHQZNXMI-QPEQYQDCSA-N -1 0 372.211 3.936 50 10 FHCARM Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000013955746 211065637 /nfs/dbraw/zinc/06/56/37/211065637.db2.gz FVXIXEVGQBNVLL-MOSHPQCFSA-N -1 0 357.413 3.941 50 10 FHCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2F)SC1=S ZINC000004514822 210536007 /nfs/dbraw/zinc/53/60/07/210536007.db2.gz JQQIPSOHTKILFK-IPJDOKCGSA-N -1 0 373.430 3.853 50 10 FHCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000002261543 210387065 /nfs/dbraw/zinc/38/70/65/210387065.db2.gz PAJIHUXJPPIHCZ-BAAYTWLHSA-N -1 0 373.430 3.853 50 10 FHCARM COc1ccccc1/C=C1/SC(=S)N(CCCCCC(=O)[O-])C1=O ZINC000001916885 210374308 /nfs/dbraw/zinc/37/43/08/210374308.db2.gz BFXVGOWNUZLOQR-SDNWHVSQSA-N -1 0 365.476 3.541 50 10 FHCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000001301980 210340814 /nfs/dbraw/zinc/34/08/14/210340814.db2.gz VOQZYTSAXLDQQZ-CXUHLZMHSA-N -1 0 363.348 3.809 50 10 FHCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000001296446 132252783 /nfs/dbraw/zinc/25/27/83/132252783.db2.gz CFAFLTPUPWSUOH-OQLLNIDSSA-N -1 0 365.389 3.979 50 10 FHCARM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cn(C)c4ccccc34)C2=O)c1 ZINC000002200841 132382662 /nfs/dbraw/zinc/38/26/62/132382662.db2.gz WFPUUJQOZNTZFX-GZTJUZNOSA-N -1 0 373.412 3.666 50 10 FHCARM O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)/C1=C/C=C/c1ccco1 ZINC000002292463 132383093 /nfs/dbraw/zinc/38/30/93/132383093.db2.gz CSYQYMDPRNTYLY-BAGULLTOSA-N -1 0 358.353 3.655 50 10 FHCARM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cccc([N+](=O)[O-])c1 ZINC000100148694 222236870 /nfs/dbraw/zinc/23/68/70/222236870.db2.gz KBCGMYNLVDKYHT-WQRHYEAKSA-N -1 0 350.378 3.930 50 10 FHCARM O=C([O-])CCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S ZINC000002672543 570527551 /nfs/dbraw/zinc/52/75/51/570527551.db2.gz ZUPWWCFFFPOUJN-UXBLZVDNSA-N -1 0 362.259 3.669 50 10 FHCARM CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O ZINC000004599062 570597100 /nfs/dbraw/zinc/59/71/00/570597100.db2.gz CTJCEFNFCHGOJR-NTUHNPAUSA-N -1 0 363.778 3.964 50 10 FHCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1O ZINC000034222086 570657980 /nfs/dbraw/zinc/65/79/80/570657980.db2.gz CAEPRXUWJYEGMF-DHDCSXOGSA-N -1 0 366.373 3.524 50 10 FHCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)cc1 ZINC000008995880 570690969 /nfs/dbraw/zinc/69/09/69/570690969.db2.gz NRXZPOSFQVNJJJ-WJDWOHSUSA-N -1 0 354.337 3.731 50 10 FHCARM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc(Cl)cc1 ZINC000004819498 570775142 /nfs/dbraw/zinc/77/51/42/570775142.db2.gz PKOZJOLYJKPKOL-NTEUORMPSA-N -1 0 371.736 3.755 50 10 FHCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cn(C)c3ccccc23)SC1=S ZINC000004482977 570866316 /nfs/dbraw/zinc/86/63/16/570866316.db2.gz PYCZSCOMVZGZHM-UWZYDCLUSA-N -1 0 374.487 3.633 50 10 FHCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(C)c3ccccc23)C1=O ZINC000008974696 571085782 /nfs/dbraw/zinc/08/57/82/571085782.db2.gz PBQBRCZQEZICCW-WJDWOHSUSA-N -1 0 359.385 3.993 50 10 FHCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3sccc3C)C2=O)c1 ZINC000009043233 571093043 /nfs/dbraw/zinc/09/30/43/571093043.db2.gz MIVMDACRKQIOPF-XFXZXTDPSA-N -1 0 372.402 3.580 50 10 FHCARM Cc1[n-]n(-c2ccccc2C)c(=O)c1C=Nc1ccc(Br)cn1 ZINC000095470885 571330684 /nfs/dbraw/zinc/33/06/84/571330684.db2.gz NKFAOQHNXJUUBE-GXDHUFHOSA-N -1 0 371.238 3.871 50 10 FHCARM COc1ccccc1C=C1C(=O)[N-]C(=S)N(c2ccccc2C)C1=O ZINC000022780867 934519138 /nfs/dbraw/zinc/51/91/38/934519138.db2.gz OWIWJTSPXXNYRN-KAMYIIQDSA-N -1 0 352.415 3.675 50 10 FHCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(F)c3)C2=O)cc1 ZINC000005061744 947927836 /nfs/dbraw/zinc/92/78/36/947927836.db2.gz BNIVGPSAOAOPDG-BOPFTXTBSA-N -1 0 352.365 3.616 50 10 FHCARM CCN(C)c1cccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c1 ZINC000058417355 212008893 /nfs/dbraw/zinc/00/88/93/212008893.db2.gz FNATWZRJTGTBCH-UHFFFAOYSA-N -1 0 354.435 3.706 50 10 FHCARM CCc1ccc(-c2ccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)o2)cc1 ZINC000013592212 220077504 /nfs/dbraw/zinc/07/75/04/220077504.db2.gz WDEYZLUUFDIGOF-DHDCSXOGSA-N -1 0 373.455 3.795 50 10 FHCARM O=C1/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1 ZINC000013940092 211065713 /nfs/dbraw/zinc/06/57/13/211065713.db2.gz KSNBAPVKBUESBE-OQLLNIDSSA-N -1 0 372.427 3.702 50 10 FHCARM O=C1/C(=C\c2cc([N+](=O)[O-])ccc2[O-])SC(=S)N1Cc1ccccc1 ZINC000013756783 211057772 /nfs/dbraw/zinc/05/77/72/211057772.db2.gz DWBJPCRWKANQIT-OQLLNIDSSA-N -1 0 372.427 3.702 50 10 FHCARM COc1cccc(N=C(C)c2c(C)[n-]n(-c3ccccc3)c2=O)c1OC ZINC000013532729 211037506 /nfs/dbraw/zinc/03/75/06/211037506.db2.gz HSOKWGDTKWUTOF-QGOAFFKASA-N -1 0 351.406 3.812 50 10 FHCARM COc1ccccc1/C=C1\SC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000013058294 211022781 /nfs/dbraw/zinc/02/27/81/211022781.db2.gz UGYRYTSGNHIHRL-GDNBJRDFSA-N -1 0 371.439 3.799 50 10 FHCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S ZINC000009421954 210833185 /nfs/dbraw/zinc/83/31/85/210833185.db2.gz GANMVSCKKQWQEC-KQGZCTBQSA-N -1 0 372.471 3.545 50 10 FHCARM CCCCCCN1C(=O)[N-]C(=O)C(=Cc2cn(CC)c3ccccc23)C1=O ZINC000002370643 210393659 /nfs/dbraw/zinc/39/36/59/210393659.db2.gz MFAAFPIQUBWCSL-GHRIWEEISA-N -1 0 367.449 3.908 50 10 FHCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2)cc1 ZINC000002198148 210382666 /nfs/dbraw/zinc/38/26/66/210382666.db2.gz VMYHFWXNTZOYRY-QGOAFFKASA-N -1 0 358.353 3.812 50 10 FHCARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(OCc3ccccc3)cc1)C2=O ZINC000001233021 210338617 /nfs/dbraw/zinc/33/86/17/210338617.db2.gz NIEPFFACVBWEKA-UHFFFAOYSA-N -1 0 373.364 3.764 50 10 FHCARM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000002281174 132253396 /nfs/dbraw/zinc/25/33/96/132253396.db2.gz BWJLFYNMEJTJBR-XNTDXEJSSA-N -1 0 356.378 3.506 50 10 FHCARM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)o1 ZINC000001125155 132380296 /nfs/dbraw/zinc/38/02/96/132380296.db2.gz BSBKIOAZWIKCOO-JXMROGBWSA-N -1 0 365.172 3.561 50 10 FHCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(F)c3)C2=O)cc1 ZINC000001202181 132381021 /nfs/dbraw/zinc/38/10/21/132381021.db2.gz BNIVGPSAOAOPDG-GZTJUZNOSA-N -1 0 352.365 3.616 50 10 FHCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000001296447 132381507 /nfs/dbraw/zinc/38/15/07/132381507.db2.gz CFAFLTPUPWSUOH-DHDCSXOGSA-N -1 0 365.389 3.979 50 10 FHCARM CC(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1 ZINC000002854840 132384189 /nfs/dbraw/zinc/38/41/89/132384189.db2.gz VALKNQOOMCLCIP-SFQUDFHCSA-N -1 0 350.443 3.641 50 10 FHCARM CCc1cccc2c(/C=C3/SC(=S)N(CCCC(=O)[O-])C3=O)c[nH]c21 ZINC000096663451 222127351 /nfs/dbraw/zinc/12/73/51/222127351.db2.gz XZNPZBSLXNHUQA-NTEUORMPSA-N -1 0 374.487 3.796 50 10 FHCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1ccccc1F ZINC000100077640 222234485 /nfs/dbraw/zinc/23/44/85/222234485.db2.gz CWULPOPPJRTXKR-MDWZMJQESA-N -1 0 358.756 3.983 50 10 FHCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000001233252 536598136 /nfs/dbraw/zinc/59/81/36/536598136.db2.gz UTDZFRTUOYOBCE-QGOAFFKASA-N -1 0 372.380 3.515 50 10 FHCARM COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3[O-])=NN2)cc1 ZINC000012296308 568097757 /nfs/dbraw/zinc/09/77/57/568097757.db2.gz LGRQVGWHNWCEIE-HNNXBMFYSA-N -1 0 364.401 3.563 50 10 FHCARM COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)cc1 ZINC000004942489 570564609 /nfs/dbraw/zinc/56/46/09/570564609.db2.gz KEOHLVNGZDMKRO-SFHVURJKSA-N -1 0 362.385 3.985 50 10 FHCARM O=C([O-])c1cccc(N2C(=O)/C(=C/C=C/c3ccco3)SC2=S)c1 ZINC000005500556 570665059 /nfs/dbraw/zinc/66/50/59/570665059.db2.gz XJEKWKFUSDGFHZ-NTOUICHMSA-N -1 0 357.412 3.940 50 10 FHCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1C ZINC000008742833 570686645 /nfs/dbraw/zinc/68/66/45/570686645.db2.gz UFPVYIUHTBRFCY-MHWRWJLKSA-N -1 0 353.447 3.622 50 10 FHCARM O=C([O-])c1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000210398927 570874921 /nfs/dbraw/zinc/87/49/21/570874921.db2.gz STKNQJMZZNBXDJ-VBKFSLOCSA-N -1 0 369.467 3.829 50 10 FHCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S ZINC000009421953 571108827 /nfs/dbraw/zinc/10/88/27/571108827.db2.gz GANMVSCKKQWQEC-MZLJFPOFSA-N -1 0 372.471 3.545 50 10 FHCARM O=C([O-])c1ccccc1N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000006192449 571161218 /nfs/dbraw/zinc/16/12/18/571161218.db2.gz FQWNPUTZDSORJH-NTEUORMPSA-N -1 0 359.403 3.930 50 10 FHCARM CC(=O)N[C@H](/C=C/c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000012379470 571180361 /nfs/dbraw/zinc/18/03/61/571180361.db2.gz XZEYWCXRLQDHJG-OAGJVSPASA-N -1 0 363.373 3.739 50 10 FHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2F)o1 ZINC000033298380 571231020 /nfs/dbraw/zinc/23/10/20/571231020.db2.gz JPUKQKUUBYAQBX-WJDWOHSUSA-N -1 0 366.323 3.686 50 10 FHCARM O=S(=O)([N-]c1nc(-c2cc(F)ccc2F)cs1)c1cccs1 ZINC000007718860 571286244 /nfs/dbraw/zinc/28/62/44/571286244.db2.gz MVZGIZASUQUHDL-UHFFFAOYSA-N -1 0 358.416 3.951 50 10 FHCARM O=C1/C(=C/c2cccc([N+](=O)[O-])c2[O-])SC(=S)N1c1ccccc1 ZINC000002892097 571341545 /nfs/dbraw/zinc/34/15/45/571341545.db2.gz YIDLGHGPBRDDHS-LCYFTJDESA-N -1 0 358.400 3.706 50 10 FHCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000003892509 571352945 /nfs/dbraw/zinc/35/29/45/571352945.db2.gz KGXHVHSLPHBMDE-SEVUFMINSA-N -1 0 355.868 3.650 50 10 FHCARM CCOC(=O)c1ccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000253529437 210216100 /nfs/dbraw/zinc/21/61/00/210216100.db2.gz JBMWOJWZSMCBJJ-KRWDZBQOSA-N -1 0 350.378 3.738 50 10 FHCARM Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000013801486 211059830 /nfs/dbraw/zinc/05/98/30/211059830.db2.gz KNICWBHNWTXPJL-NVNXTCNLSA-N -1 0 374.238 3.550 50 10 FHCARM Cc1oc(C(=O)[O-])cc1COc1cc(C)cc2oc(=O)c3c(c12)CCC3 ZINC000002110435 210379548 /nfs/dbraw/zinc/37/95/48/210379548.db2.gz LRZNWIGPBKQJGD-UHFFFAOYSA-N -1 0 354.358 3.769 50 10 biogenic FHCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000001301981 210340621 /nfs/dbraw/zinc/34/06/21/210340621.db2.gz VOQZYTSAXLDQQZ-SXGWCWSVSA-N -1 0 363.348 3.809 50 10 FHCARM O=C([O-])CCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S ZINC000001133370 210323596 /nfs/dbraw/zinc/32/35/96/210323596.db2.gz DNUZUNZFMUTTFG-RMKNXTFCSA-N -1 0 362.259 3.669 50 10 FHCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000001191193 210331263 /nfs/dbraw/zinc/33/12/63/210331263.db2.gz OEJAGYZCNREKQG-HQQGHWSLSA-N -1 0 355.868 3.795 50 10 FHCARM CCc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000001208233 132381149 /nfs/dbraw/zinc/38/11/49/132381149.db2.gz SNESXJKTMJGOCU-LFIBNONCSA-N -1 0 354.793 3.569 50 10 FHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3C(C)(C)C)C2=O)cc1 ZINC000001273970 132381438 /nfs/dbraw/zinc/38/14/38/132381438.db2.gz PJCSZUJFNZDQMR-FOWTUZBSSA-N -1 0 367.405 3.758 50 10 FHCARM CCOc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1 ZINC000002290203 132383123 /nfs/dbraw/zinc/38/31/23/132383123.db2.gz XXGKKCWRBXXDBV-SDNWHVSQSA-N -1 0 370.405 3.896 50 10 FHCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1O ZINC000038185338 136118531 /nfs/dbraw/zinc/11/85/31/136118531.db2.gz IMMACMVFKXSEDE-QPEQYQDCSA-N -1 0 372.764 3.561 50 10 FHCARM COc1ccc(N=Cc2c(C)[n-]n(-c3ccccc3C)c2=O)c([N+](=O)[O-])c1 ZINC000100931034 222257600 /nfs/dbraw/zinc/25/76/00/222257600.db2.gz QKUFATZZGNODQH-RVDMUPIBSA-N -1 0 366.377 3.630 50 10 FHCARM Cc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)s1 ZINC000000711654 525960298 /nfs/dbraw/zinc/96/02/98/525960298.db2.gz BMYMVIVQKFBRAQ-JYRVWZFOSA-N -1 0 362.863 3.541 50 10 FHCARM Cc1nc(Cc2ccccc2)nc2sc(C(=O)N3CCCCC3)c([O-])c21 ZINC000012321985 568153969 /nfs/dbraw/zinc/15/39/69/568153969.db2.gz JNWJSBFDXMEMHI-UHFFFAOYSA-N -1 0 367.474 3.922 50 10 FHCARM CC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1OCC(=O)[O-] ZINC000100147725 570524389 /nfs/dbraw/zinc/52/43/89/570524389.db2.gz AAQWNEYVTCIJCO-GXDHUFHOSA-N -1 0 370.792 3.610 50 10 FHCARM O=C1[N-]C(=O)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1 ZINC000008972230 570690460 /nfs/dbraw/zinc/69/04/60/570690460.db2.gz FNLHCBUWFQQBNG-UHFFFAOYSA-N -1 0 350.252 3.555 50 10 FHCARM CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)SC1=S ZINC000004482176 570797264 /nfs/dbraw/zinc/79/72/64/570797264.db2.gz JCOCDHYTHMMUHD-NTEUORMPSA-N -1 0 359.428 3.866 50 10 FHCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Br)cn1 ZINC000101087229 570807422 /nfs/dbraw/zinc/80/74/22/570807422.db2.gz RMZFCFXRXZNCCX-GXDHUFHOSA-N -1 0 357.211 3.563 50 10 FHCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\C=C\c1ccccc1 ZINC000015012409 570829229 /nfs/dbraw/zinc/82/92/29/570829229.db2.gz BLDHQAMNZPHZNF-QSJINSDNSA-N -1 0 368.845 3.728 50 10 FHCARM CN(C)c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000017180234 570870361 /nfs/dbraw/zinc/87/03/61/570870361.db2.gz PMMAWNXVGIEYCZ-LFIBNONCSA-N -1 0 369.421 3.563 50 10 FHCARM CN(Cc1ccccc1O)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000072311870 571079065 /nfs/dbraw/zinc/07/90/65/571079065.db2.gz FUTSCAQGGQTBQS-UHFFFAOYSA-N -1 0 370.630 3.786 50 10 FHCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S ZINC000008993561 571090253 /nfs/dbraw/zinc/09/02/53/571090253.db2.gz AVHQZCQEUPWHLL-HNRFISLBSA-N -1 0 372.471 3.545 50 10 FHCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000002571702 571339103 /nfs/dbraw/zinc/33/91/03/571339103.db2.gz KGXHVHSLPHBMDE-RDQDRAATSA-N -1 0 355.868 3.650 50 10 FHCARM COc1ccc(N2C(=O)/C(=C/c3cccc(C(=O)[O-])c3)SC2=S)cc1 ZINC000002988579 571343368 /nfs/dbraw/zinc/34/33/68/571343368.db2.gz DIRCMDLFIBRCCB-GDNBJRDFSA-N -1 0 371.439 3.799 50 10 FHCARM COc1cccc(N=Nc2c(N)[n-]n3c2nc(-c2ccccc2)cc3=O)c1 ZINC000334159026 945438453 /nfs/dbraw/zinc/43/84/53/945438453.db2.gz LSNWURCEOSPTHY-UHFFFAOYSA-N -1 0 360.377 3.696 50 10 FHCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccc4ccccc34)C2=O)c1 ZINC000005043821 947902562 /nfs/dbraw/zinc/90/25/62/947902562.db2.gz JDZTYRTVFFMKRX-UNOMPAQXSA-N -1 0 372.380 3.515 50 10 FHCARM Cc1oc(C(=O)[O-])cc1COc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000001150438 210225609 /nfs/dbraw/zinc/22/56/09/210225609.db2.gz JDVGXAWXFUODNG-UHFFFAOYSA-N -1 0 354.358 3.769 50 10 biogenic FHCARM O=C([O-])c1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000012558764 220007198 /nfs/dbraw/zinc/00/71/98/220007198.db2.gz LAAVTSLLBOSOTO-ZROIWOOFSA-N -1 0 359.403 3.930 50 10 FHCARM O=C([O-])CN1C(=O)/C(=C/c2cc(-c3ccccc3)cs2)SC1=S ZINC000055037999 211933285 /nfs/dbraw/zinc/93/32/85/211933285.db2.gz ODZRWSJEMCQYIV-QPEQYQDCSA-N -1 0 361.469 3.701 50 10 FHCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S ZINC000013804809 211060413 /nfs/dbraw/zinc/06/04/13/211060413.db2.gz PYCZSCOMVZGZHM-BUYRESAOSA-N -1 0 374.487 3.633 50 10 FHCARM Cn1cc(C=C2C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)c2ccccc21 ZINC000013686183 211049358 /nfs/dbraw/zinc/04/93/58/211049358.db2.gz QSWQUUJDJUSPKL-AQTBWJFISA-N -1 0 373.412 3.723 50 10 FHCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000002261541 210387383 /nfs/dbraw/zinc/38/73/83/210387383.db2.gz PAJIHUXJPPIHCZ-LTBFUDJGSA-N -1 0 373.430 3.853 50 10 FHCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1C1CC1 ZINC000001100028 210316876 /nfs/dbraw/zinc/31/68/76/210316876.db2.gz NTEWMWDVWNCUSL-WOJGMQOQSA-N -1 0 363.417 3.942 50 10 FHCARM O=C1[N-]NC(c2ccccc2)=N/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000001036608 210304479 /nfs/dbraw/zinc/30/44/79/210304479.db2.gz FHYINIXDXFRRTJ-RCCKNPSSSA-N -1 0 369.424 3.688 50 10 FHCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)s1 ZINC000001004346 132379564 /nfs/dbraw/zinc/37/95/64/132379564.db2.gz IAIAMGPIIQDIPP-NTEUORMPSA-N -1 0 356.472 3.505 50 10 FHCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccc4ccccc34)C2=O)c1 ZINC000001067042 132379834 /nfs/dbraw/zinc/37/98/34/132379834.db2.gz JDZTYRTVFFMKRX-XDHOZWIPSA-N -1 0 372.380 3.515 50 10 FHCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)s1 ZINC000001135344 132380400 /nfs/dbraw/zinc/38/04/00/132380400.db2.gz MJVIOZGNIKOXDN-OQLLNIDSSA-N -1 0 356.472 3.505 50 10 FHCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1Cl ZINC000100039588 222232502 /nfs/dbraw/zinc/23/25/02/222232502.db2.gz AYTWVQSPJDUZIA-GXDHUFHOSA-N -1 0 356.769 3.967 50 10 FHCARM O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(Cl)c([O-])c(Cl)c1 ZINC000000680626 570448581 /nfs/dbraw/zinc/44/85/81/570448581.db2.gz FSVHZBFBOZBJDY-UHFFFAOYSA-N -1 0 365.168 3.881 50 10 FHCARM CCC(=O)N[C@H](c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004844910 570610398 /nfs/dbraw/zinc/61/03/98/570610398.db2.gz DEXNORPUTBBNSC-HNNXBMFYSA-N -1 0 357.391 3.526 50 10 FHCARM COc1ccc(Cl)cc1/C=C1\C(=O)N(c2cccc(C(=O)[O-])c2)N=C1C ZINC000004853186 570610755 /nfs/dbraw/zinc/61/07/55/570610755.db2.gz BKTLVJWAZRMPEC-YBEGLDIGSA-N -1 0 370.792 3.853 50 10 FHCARM CSc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000014011118 570801575 /nfs/dbraw/zinc/80/15/75/570801575.db2.gz GVCWAYQJPHSFPA-BOPFTXTBSA-N -1 0 366.442 3.692 50 10 FHCARM Cn1cccc1C=C1C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000008771732 571061134 /nfs/dbraw/zinc/06/11/34/571061134.db2.gz KDINOYRGBGVXNZ-LCYFTJDESA-N -1 0 363.295 3.551 50 10 FHCARM CCN(CC)c1ccc(NN=C2C=C(S(=O)(=O)[O-])C=CC2=O)c(O)c1 ZINC000254513481 571275452 /nfs/dbraw/zinc/27/54/52/571275452.db2.gz DSZXUTUBVLAYLI-UHFFFAOYSA-N -1 0 365.411 3.606 50 10 FHCARM C[C@H]1CN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4)coc32)C[C@H](C)O1 ZINC000019497514 210237074 /nfs/dbraw/zinc/23/70/74/210237074.db2.gz CGKRXLVATORLPE-GJZGRUSLSA-N -1 0 365.429 3.775 50 10 FHCARM Cc1oc(C(=O)[O-])cc1COc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000004028291 210228552 /nfs/dbraw/zinc/22/85/52/210228552.db2.gz MYLCYXOJPQFBAU-UHFFFAOYSA-N -1 0 354.358 3.850 50 10 biogenic FHCARM CCc1cc2c(-c3ccccc3)cc(=O)oc2c(CN2CCOCC2)c1[O-] ZINC000019926365 211262179 /nfs/dbraw/zinc/26/21/79/211262179.db2.gz HTOGVDLZPALUDT-UHFFFAOYSA-N -1 0 365.429 3.560 50 10 FHCARM Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000013774493 211057486 /nfs/dbraw/zinc/05/74/86/211057486.db2.gz MCLFFRRUMQGNPP-UVTDQMKNSA-N -1 0 354.391 3.820 50 10 FHCARM Cc1cccc(NC(=O)c2ccc3c(c2[O-])C(=O)c2ccccc2C3=O)c1 ZINC000004525430 210537607 /nfs/dbraw/zinc/53/76/07/210537607.db2.gz QZCOMRBVZCSSDI-UHFFFAOYSA-N -1 0 357.365 3.728 50 10 FHCARM O=C([O-])c1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1 ZINC000001221260 210337626 /nfs/dbraw/zinc/33/76/26/210337626.db2.gz LTGJJOLOFIAMQW-UVTDQMKNSA-N -1 0 356.428 3.613 50 10 FHCARM O=C([O-])CN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S ZINC000000966884 210297601 /nfs/dbraw/zinc/29/76/01/210297601.db2.gz NJNBOILPWXEYGR-GDNBJRDFSA-N -1 0 371.439 3.765 50 10 FHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)c(C)c1 ZINC000008997380 132260664 /nfs/dbraw/zinc/26/06/64/132260664.db2.gz NJPHVZRHJPLRMK-ATVHPVEESA-N -1 0 363.417 3.876 50 10 FHCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=CC=CNc1ccccc1 ZINC000002295320 132383082 /nfs/dbraw/zinc/38/30/82/132383082.db2.gz GTGQVKQLJMIVLL-SZMZPSPYSA-N -1 0 367.405 3.966 50 10 FHCARM O=C([O-])c1cc(/C=C/c2ccc(N3CCOCC3)cc2)nc2ccccc21 ZINC000004710050 132824174 /nfs/dbraw/zinc/82/41/74/132824174.db2.gz AIZKGCWIXTVRGO-VMPITWQZSA-N -1 0 360.413 3.940 50 10 FHCARM COC(=O)c1ccc([C@@H]2Nc3ccc(CC(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000103020351 222319280 /nfs/dbraw/zinc/31/92/80/222319280.db2.gz BMYSBHIBTWFUFS-WWMYMODYSA-N -1 0 363.413 3.927 50 10 FHCARM CCc1oc2ccccc2c1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O ZINC000008199212 568275330 /nfs/dbraw/zinc/27/53/30/568275330.db2.gz XAGJEZPGGHMXOF-ZROIWOOFSA-N -1 0 361.444 3.671 50 10 FHCARM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1 ZINC000002981573 570546335 /nfs/dbraw/zinc/54/63/35/570546335.db2.gz DGCSWTQMHJGREL-UHFFFAOYSA-N -1 0 351.145 3.843 50 10 FHCARM O=C([O-])c1ccc(N2N=C(c3ccccc3)/C(=C/c3ccco3)C2=O)cc1 ZINC000004952185 570566176 /nfs/dbraw/zinc/56/61/76/570566176.db2.gz DPRAAWJDYOMXPN-AQTBWJFISA-N -1 0 358.353 3.812 50 10 FHCARM CN1C(=O)/C(=C\c2cc(Br)cc(Cl)c2[O-])SC1=S ZINC000004509564 570593745 /nfs/dbraw/zinc/59/37/45/570593745.db2.gz NQCSIVZUPOZGSJ-FPYGCLRLSA-N -1 0 364.673 3.639 50 10 FHCARM Cc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)s1 ZINC000004746550 570604810 /nfs/dbraw/zinc/60/48/10/570604810.db2.gz SAGSNCCUZRZDTO-DHDCSXOGSA-N -1 0 356.472 3.505 50 10 FHCARM CN(C)c1ccc(-c2c3cc(O)c([O-])cc3oc3cc(=O)c(O)cc2-3)cc1 ZINC000004822213 570608928 /nfs/dbraw/zinc/60/89/28/570608928.db2.gz JLQIGMKUPIXLLP-UHFFFAOYSA-N -1 0 363.369 3.748 50 10 FHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)cc1Cl ZINC000008743032 570686738 /nfs/dbraw/zinc/68/67/38/570686738.db2.gz NKWOXZDMRHMFEQ-ZSOIEALJSA-N -1 0 356.765 3.861 50 10 FHCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000012412731 570743439 /nfs/dbraw/zinc/74/34/39/570743439.db2.gz UPBYBQPTOWSEFO-ZSOIEALJSA-N -1 0 358.756 3.983 50 10 FHCARM O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=CC=Cc1ccco1 ZINC000008971028 571085891 /nfs/dbraw/zinc/08/58/91/571085891.db2.gz JQQHYTPJBXXCFA-QOSQHLEFSA-N -1 0 354.337 3.520 50 10 FHCARM CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@H](C(=O)[O-])C(C)C)C1=O ZINC000006307325 571172157 /nfs/dbraw/zinc/17/21/57/571172157.db2.gz WZSFHXDLBDYXPF-ZBZGIURFSA-N -1 0 361.488 3.943 50 10 FHCARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1C ZINC000095471521 571330667 /nfs/dbraw/zinc/33/06/67/571330667.db2.gz GAKGMCGVJUGLHR-BOPFTXTBSA-N -1 0 350.378 3.930 50 10 FHCARM O=S(=O)([O-])c1ccc(NN=Nc2ccc(Br)cc2)cc1 ZINC000003900068 571353029 /nfs/dbraw/zinc/35/30/29/571353029.db2.gz GYCCKEFEAZDDOY-UHFFFAOYSA-N -1 0 356.201 3.807 50 10 FHCARM CCCC(=O)N[C@@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004124027 571355829 /nfs/dbraw/zinc/35/58/29/571355829.db2.gz QGEZGQTZWHZCIM-SFHVURJKSA-N -1 0 365.389 3.854 50 10 FHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000000686926 219313020 /nfs/dbraw/zinc/31/30/20/219313020.db2.gz ADQBSLSEFQRPDM-RCCKNPSSSA-N -1 0 370.408 3.727 50 10 FHCARM COc1cccc(N=C(C)c2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c1OC ZINC000013532738 220072770 /nfs/dbraw/zinc/07/27/70/220072770.db2.gz LZABZKYAANYHQZ-LDADJPATSA-N -1 0 369.396 3.952 50 10 FHCARM O=C1[N-]C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)[nH]2)C(=O)N1 ZINC000018086228 220223833 /nfs/dbraw/zinc/22/38/33/220223833.db2.gz NLMUDDQWRFLCTF-UHFFFAOYSA-N -1 0 350.161 3.578 50 10 FHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000001192402 132380815 /nfs/dbraw/zinc/38/08/15/132380815.db2.gz MTKNFDCKXYNLDE-KVDBUQHUSA-N -1 0 363.329 3.658 50 10 FHCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000001302115 132381561 /nfs/dbraw/zinc/38/15/61/132381561.db2.gz NSPMFUSNPMGNDC-UKTHLTGXSA-N -1 0 365.389 3.979 50 10 FHCARM COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[n-]n(-c2ccc(C)cc2)c1=O ZINC000100296110 222240237 /nfs/dbraw/zinc/24/02/37/222240237.db2.gz CJGGNTJPTFWCCP-WJDWOHSUSA-N -1 0 366.377 3.630 50 10 FHCARM CC(=O)Nc1sc(C)c(C)c1N=Nc1ccc(S(=O)(=O)[O-])cc1 ZINC000252630171 519754093 /nfs/dbraw/zinc/75/40/93/519754093.db2.gz UWOGLBOIVXEWRS-UHFFFAOYSA-N -1 0 353.425 3.985 50 10 FHCARM COCCCn1c(CCC(=O)[O-])ccc1-c1ccc(Br)cc1 ZINC000003017295 570550270 /nfs/dbraw/zinc/55/02/70/570550270.db2.gz XCSUUELFTWRUIK-UHFFFAOYSA-N -1 0 366.255 3.971 50 10 FHCARM CC(=C\c1ccccc1)/C=C1\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000004192888 570580827 /nfs/dbraw/zinc/58/08/27/570580827.db2.gz WZSFHXDLBDYXPF-KYQAKJIHSA-N -1 0 361.488 3.943 50 10 FHCARM CCCc1nnc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3C)c2=O)s1 ZINC000101114393 570816962 /nfs/dbraw/zinc/81/69/62/570816962.db2.gz BTRNCVIXSLATAS-GXDHUFHOSA-N -1 0 355.467 3.826 50 10 FHCARM CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000008994060 571090233 /nfs/dbraw/zinc/09/02/33/571090233.db2.gz YRGYDMQHZRWFOE-SDNWHVSQSA-N -1 0 354.337 3.731 50 10 FHCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3C(C)C)C2=O)c1 ZINC000009350806 571105915 /nfs/dbraw/zinc/10/59/15/571105915.db2.gz WXAYVIHJIUUEKN-ATVHPVEESA-N -1 0 363.417 3.697 50 10 FHCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001831032 571197736 /nfs/dbraw/zinc/19/77/36/571197736.db2.gz GAVXWEDWPSEUAS-KIWPFMIBSA-N -1 0 361.469 3.775 50 10 FHCARM O=C([O-])c1cccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1 ZINC000006901863 571254032 /nfs/dbraw/zinc/25/40/32/571254032.db2.gz RFPPDSLMKURBQF-UHFFFAOYSA-N -1 0 357.365 3.771 50 10 FHCARM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)NC3=O)o2)c1 ZINC000002292994 571316288 /nfs/dbraw/zinc/31/62/88/571316288.db2.gz KGMMIKDTDKZXDL-WUXMJOGZSA-N -1 0 365.819 3.787 50 10 FHCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 ZINC000000967144 219347381 /nfs/dbraw/zinc/34/73/81/219347381.db2.gz DJYSYHZGEUGFFW-NTEUORMPSA-N -1 0 359.403 3.930 50 10 FHCARM O=C([N-]C(=O)C(F)(F)F)N[C@@H](c1ccccc1)c1cc(Cl)ccc1O ZINC000001298026 219393637 /nfs/dbraw/zinc/39/36/37/219393637.db2.gz ZQHKBEQQBFPOGJ-ZDUSSCGKSA-N -1 0 372.730 3.523 50 10 FHCARM Cc1ccsc1/C=C1/SC(=S)N(CCCCCC(=O)[O-])C1=O ZINC000004839414 219612159 /nfs/dbraw/zinc/61/21/59/219612159.db2.gz MNQNFEJMDZGICU-FMIVXFBMSA-N -1 0 355.506 3.903 50 10 FHCARM O=C([O-])COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000015009808 220141773 /nfs/dbraw/zinc/14/17/73/220141773.db2.gz FHJKCRLEDVBTTI-XNTDXEJSSA-N -1 0 371.439 3.556 50 10 FHCARM CCOc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)cc1 ZINC000016156571 220179662 /nfs/dbraw/zinc/17/96/62/220179662.db2.gz FHPDNRZXNNIJIH-LDADJPATSA-N -1 0 350.374 3.590 50 10 FHCARM O=C([O-])c1ccc(NC=C2SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000019880143 220303913 /nfs/dbraw/zinc/30/39/13/220303913.db2.gz UFOSENQUJATCGH-UVTDQMKNSA-N -1 0 356.428 3.703 50 10 FHCARM O=C1[N-]C(=O)C(=Cc2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N1 ZINC000020324474 220321930 /nfs/dbraw/zinc/32/19/30/220321930.db2.gz DBYNZLLTKLHPNU-UHFFFAOYSA-N -1 0 362.794 3.815 50 10 FHCARM CC(C)c1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000100986963 132233333 /nfs/dbraw/zinc/23/33/33/132233333.db2.gz WIDKGALEZXNWDJ-WJDWOHSUSA-N -1 0 367.380 3.528 50 10 FHCARM O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccco1 ZINC000008995883 132260497 /nfs/dbraw/zinc/26/04/97/132260497.db2.gz LFLLHSNVMDWMQV-WQLSENKSSA-N -1 0 350.252 3.805 50 10 FHCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1Cl ZINC000004209189 132386540 /nfs/dbraw/zinc/38/65/40/132386540.db2.gz YOBKJZUSCMWPMN-UKTHLTGXSA-N -1 0 361.184 3.660 50 10 FHCARM CCOC(=O)c1ccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000100066776 222234495 /nfs/dbraw/zinc/23/44/95/222234495.db2.gz JBMWOJWZSMCBJJ-UAFUQJIBSA-N -1 0 350.378 3.738 50 10 FHCARM O=C([O-])c1ccc(NC2=NC(=O)C(=Cc3c[nH]c4ccccc34)S2)cc1 ZINC000101016282 222259169 /nfs/dbraw/zinc/25/91/69/222259169.db2.gz UDECPTQNUKSHLT-SXGWCWSVSA-N -1 0 363.398 3.949 50 10 FHCARM Cc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)o3)C(=O)[N-]C2=S)c(C)c1 ZINC000033333286 568494198 /nfs/dbraw/zinc/49/41/98/568494198.db2.gz QZVNUJQTHTYOHM-UVTDQMKNSA-N -1 0 369.446 3.634 50 10 FHCARM Cc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccccc3O)C2)cc1 ZINC000005043655 570579029 /nfs/dbraw/zinc/57/90/29/570579029.db2.gz VNIAZSLLACPKAA-GOSISDBHSA-N -1 0 366.417 3.633 50 10 FHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4)o3)C2=O)cc1 ZINC000004703330 570601838 /nfs/dbraw/zinc/60/18/38/570601838.db2.gz TUVZSZKZQAVHMH-QGOAFFKASA-N -1 0 372.380 3.921 50 10 FHCARM COc1ccc(C2=NN(C(=O)C(F)(F)F)[C@@H](c3cccs3)C2)c(O)c1 ZINC000253433459 570626055 /nfs/dbraw/zinc/62/60/55/570626055.db2.gz XHTXKCTXBKTAFY-GFCCVEGCSA-N -1 0 370.352 3.702 50 10 FHCARM Cc1ccc2nsnc2c1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000005260187 570640977 /nfs/dbraw/zinc/64/09/77/570640977.db2.gz UWOZTPYRVJWNCT-UHFFFAOYSA-N -1 0 355.444 3.954 50 10 FHCARM COc1ccc(-c2c(C)c3ccc([O-])c(C[NH+](C)C)c3oc2=O)cc1OC ZINC000004353829 570753717 /nfs/dbraw/zinc/75/37/17/570753717.db2.gz VNDOLVPXXSKIDC-UHFFFAOYSA-N -1 0 369.417 3.553 50 10 biogenic FHCARM Cc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)o1 ZINC000004356936 570756057 /nfs/dbraw/zinc/75/60/57/570756057.db2.gz UNIYALBDGSUJFM-SSUFTNFISA-N -1 0 359.428 3.615 50 10 FHCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccs2)SC1=S ZINC000004478803 570795746 /nfs/dbraw/zinc/79/57/46/570795746.db2.gz GAVXWEDWPSEUAS-SRXBQZRASA-N -1 0 361.469 3.775 50 10 FHCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccs2)SC1=S ZINC000004478804 570795928 /nfs/dbraw/zinc/79/59/28/570795928.db2.gz GAVXWEDWPSEUAS-CNELAYHGSA-N -1 0 361.469 3.775 50 10 FHCARM CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1cc(C(=O)[O-])ccc1C ZINC000101350803 570819247 /nfs/dbraw/zinc/81/92/47/570819247.db2.gz AIOUQDFQFMGFNZ-YBEGLDIGSA-N -1 0 353.353 3.551 50 10 FHCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccccc1F ZINC000012412789 571095507 /nfs/dbraw/zinc/09/55/07/571095507.db2.gz CWULPOPPJRTXKR-JYRVWZFOSA-N -1 0 358.756 3.983 50 10 FHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(Cl)ccc3C)C2=O)cc1 ZINC000009329389 571105283 /nfs/dbraw/zinc/10/52/83/571105283.db2.gz QJCXUBREUGRZDH-GDNBJRDFSA-N -1 0 369.808 3.536 50 10 FHCARM O=C([O-])c1ccccc1N=NC1SC(=S)N(c2ccccc2)C1=O ZINC000245241010 571120801 /nfs/dbraw/zinc/12/08/01/571120801.db2.gz WHIBGVLSVNUPGY-ZDUSSCGKSA-N -1 0 357.416 3.860 50 10 FHCARM Cc1c(C)c(=O)oc2c1ccc([O-])c2C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000085878681 571127315 /nfs/dbraw/zinc/12/73/15/571127315.db2.gz MMCKWDBPDYZIFC-HXUWFJFHSA-N -1 0 365.429 3.689 50 10 FHCARM CC(C)C(=O)N[C@@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000002814376 571341272 /nfs/dbraw/zinc/34/12/72/571341272.db2.gz OBRFLLNCMPSLCI-KRWDZBQOSA-N -1 0 365.389 3.710 50 10 FHCARM CC(=O)N[C@H](c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000000869299 219334022 /nfs/dbraw/zinc/33/40/22/219334022.db2.gz NCQVPAKISSFTKX-MRXNPFEDSA-N -1 0 371.780 3.728 50 10 FHCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000001190692 219387269 /nfs/dbraw/zinc/38/72/69/219387269.db2.gz NYFNZROPRHZBME-DZTYSLMWSA-N -1 0 362.259 3.668 50 10 FHCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000001300970 219394042 /nfs/dbraw/zinc/39/40/42/219394042.db2.gz KMGMFRUEPBZCGG-SEVUFMINSA-N -1 0 355.868 3.650 50 10 FHCARM COc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)cc1 ZINC000002831136 219469110 /nfs/dbraw/zinc/46/91/10/219469110.db2.gz KPOFUOVEENBTTQ-GDNBJRDFSA-N -1 0 371.439 3.799 50 10 FHCARM O=C1C=CC(S(=O)(=O)[O-])=CC1=NNc1ccc2c(O)cccc2c1O ZINC000257347407 223072795 /nfs/dbraw/zinc/07/27/95/223072795.db2.gz HETKNRGJVSOOEF-UHFFFAOYSA-N -1 0 360.347 3.619 50 10 FHCARM O=C([O-])c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000013473743 220069544 /nfs/dbraw/zinc/06/95/44/220069544.db2.gz LAVHHMWKUVBWIF-XNTDXEJSSA-N -1 0 355.440 3.786 50 10 FHCARM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)[nH]2)C(=O)N1 ZINC000018086838 220223780 /nfs/dbraw/zinc/22/37/80/220223780.db2.gz ZASXZPNBRCQWEZ-UHFFFAOYSA-N -1 0 350.161 3.578 50 10 FHCARM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1 ZINC000001174300 132380659 /nfs/dbraw/zinc/38/06/59/132380659.db2.gz JHOLPHMMXGBXHS-XYOKQWHBSA-N -1 0 361.184 3.660 50 10 FHCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000100077636 222234196 /nfs/dbraw/zinc/23/41/96/222234196.db2.gz UPBYBQPTOWSEFO-RIYZIHGNSA-N -1 0 358.756 3.983 50 10 FHCARM O=C([O-])c1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000002124220 570514573 /nfs/dbraw/zinc/51/45/73/570514573.db2.gz CRHQFJBLIPEBLK-GDNBJRDFSA-N -1 0 355.440 3.786 50 10 FHCARM COc1ccc(N2C(=O)/C(=C\c3cccc(C(=O)[O-])c3)SC2=S)cc1 ZINC000004819375 570608293 /nfs/dbraw/zinc/60/82/93/570608293.db2.gz DIRCMDLFIBRCCB-XNTDXEJSSA-N -1 0 371.439 3.799 50 10 FHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc2c3c(cccc31)CC2 ZINC000005060537 570620368 /nfs/dbraw/zinc/62/03/68/570620368.db2.gz IWMKIGYWGYFFMA-UYRXBGFRSA-N -1 0 368.392 3.605 50 10 FHCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1cccc(F)c1 ZINC000106444113 570782882 /nfs/dbraw/zinc/78/28/82/570782882.db2.gz VEOLZPJASDKDQI-RIYZIHGNSA-N -1 0 358.756 3.983 50 10 FHCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2F)SC1=S ZINC000004514826 570811302 /nfs/dbraw/zinc/81/13/02/570811302.db2.gz JQQIPSOHTKILFK-YVGNARHYSA-N -1 0 373.430 3.853 50 10 FHCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc2c(c1)C[C@H](C)O2 ZINC000004577525 570843879 /nfs/dbraw/zinc/84/38/79/570843879.db2.gz YDPGPSHUSXQXEG-SJWFJVLYSA-N -1 0 362.385 3.514 50 10 FHCARM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000017159514 570869923 /nfs/dbraw/zinc/86/99/23/570869923.db2.gz BWJLFYNMEJTJBR-GDNBJRDFSA-N -1 0 356.378 3.506 50 10 FHCARM COC(=O)c1c(C)c(C)sc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000044827026 570899822 /nfs/dbraw/zinc/89/98/22/570899822.db2.gz LFFBSZLDXXLFNK-GDNBJRDFSA-N -1 0 369.446 3.870 50 10 FHCARM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)C1=CC=Cc1ccco1 ZINC000008817173 571062401 /nfs/dbraw/zinc/06/24/01/571062401.db2.gz CIMDIXJFAGASGD-FMVMLBDOSA-N -1 0 358.806 3.732 50 10 FHCARM Cc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1 ZINC000001412515 571066351 /nfs/dbraw/zinc/06/63/51/571066351.db2.gz SYTWVDDVYRRJOJ-UKTHLTGXSA-N -1 0 360.485 3.603 50 10 FHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(C)c4ccccc34)C2=O)cc1 ZINC000009009780 571090822 /nfs/dbraw/zinc/09/08/22/571090822.db2.gz NDSICHXFZRJWLE-BOPFTXTBSA-N -1 0 359.385 3.993 50 10 FHCARM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1 ZINC000000831354 219327801 /nfs/dbraw/zinc/32/78/01/219327801.db2.gz ZVIWSYSPOBDBSP-UHFFFAOYSA-N -1 0 361.404 3.519 50 10 FHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2F)o1 ZINC000001072009 219364025 /nfs/dbraw/zinc/36/40/25/219364025.db2.gz JPUKQKUUBYAQBX-LFIBNONCSA-N -1 0 366.323 3.686 50 10 FHCARM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)C(=O)N1 ZINC000008766885 219869497 /nfs/dbraw/zinc/86/94/97/219869497.db2.gz OGGWHCWAOKMSRN-UHFFFAOYSA-N -1 0 356.765 3.509 50 10 FHCARM COc1cccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)c1 ZINC000013343099 220065007 /nfs/dbraw/zinc/06/50/07/220065007.db2.gz HYLQGWNFXDFPBC-KAMYIIQDSA-N -1 0 365.476 3.541 50 10 FHCARM C[C@@H]1CN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4)coc32)C[C@H](C)O1 ZINC000013450982 220068391 /nfs/dbraw/zinc/06/83/91/220068391.db2.gz CGKRXLVATORLPE-GASCZTMLSA-N -1 0 365.429 3.775 50 10 FHCARM Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCCCC3)c([O-])c21 ZINC000013724957 220090270 /nfs/dbraw/zinc/09/02/70/220090270.db2.gz GAEHGLNYCZRVHM-UHFFFAOYSA-N -1 0 353.447 3.998 50 10 FHCARM O=C1/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 ZINC000013810608 220095569 /nfs/dbraw/zinc/09/55/69/220095569.db2.gz YLKOCKIMSAOAIF-ZROIWOOFSA-N -1 0 358.400 3.706 50 10 FHCARM O=C1/C(=C/c2cccc([N+](=O)[O-])c2[O-])SC(=S)N1Cc1ccccc1 ZINC000016479722 220184808 /nfs/dbraw/zinc/18/48/08/220184808.db2.gz ZTWBCEZQPRYIGY-ZROIWOOFSA-N -1 0 372.427 3.702 50 10 in-vivo FHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)cc3)C2=O)cc1C ZINC000001170630 132380697 /nfs/dbraw/zinc/38/06/97/132380697.db2.gz XNPSSNKIOBAXAB-MHWRWJLKSA-N -1 0 354.793 3.623 50 10 FHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000001200505 132380981 /nfs/dbraw/zinc/38/09/81/132380981.db2.gz ZWPSQQHYBPISSV-OQLLNIDSSA-N -1 0 365.345 3.718 50 10 FHCARM CCOC(=O)c1ccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000100066773 222234756 /nfs/dbraw/zinc/23/47/56/222234756.db2.gz JBMWOJWZSMCBJJ-SGRLSNSRSA-N -1 0 350.378 3.738 50 10 FHCARM Cc1cc(=O)n2[n-]c(Nc3ccccc3)c(C(=O)Nc3ccccc3)c2n1 ZINC000101638302 222279757 /nfs/dbraw/zinc/27/97/57/222279757.db2.gz FIKYFHDMFYXOBZ-UHFFFAOYSA-N -1 0 359.389 3.739 50 10 FHCARM Cc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)[N-]C2=S)cc1Cl ZINC000000686739 524916266 /nfs/dbraw/zinc/91/62/66/524916266.db2.gz AYNCXNUUERDREH-FMDPHQNASA-N -1 0 372.833 3.629 50 10 FHCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 ZINC000002024375 570511861 /nfs/dbraw/zinc/51/18/61/570511861.db2.gz SBAWETQNNLKNNE-NTEUORMPSA-N -1 0 359.403 3.930 50 10 FHCARM COCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2[O-])SC1=S ZINC000002980447 570546268 /nfs/dbraw/zinc/54/62/68/570546268.db2.gz HLECFVZZKMSWCR-YHYXMXQVSA-N -1 0 364.275 3.547 50 10 FHCARM CCC(=O)N[C@@H](c1ccc(C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684865 570600502 /nfs/dbraw/zinc/60/05/02/570600502.db2.gz SOOZZAWHFOKELH-SFHVURJKSA-N -1 0 365.389 3.773 50 10 FHCARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=CC=Cc2ccco2)C1=O ZINC000008738571 570686692 /nfs/dbraw/zinc/68/66/92/570686692.db2.gz KRZIFWYMAKKJLC-UHFVGQSGSA-N -1 0 352.346 3.741 50 10 FHCARM CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCC(=O)[O-] ZINC000012378003 570740579 /nfs/dbraw/zinc/74/05/79/570740579.db2.gz OHXNKCCCGFXBBU-YBEGLDIGSA-N -1 0 370.792 3.610 50 10 FHCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccco3)C2=O)cc1 ZINC000012382977 570740828 /nfs/dbraw/zinc/74/08/28/570740828.db2.gz CJOKZQXLSSIEPY-CZMAMTTRSA-N -1 0 350.374 3.626 50 10 FHCARM O=S(=O)([N-]c1cccc(Cl)c1)c1c2nsnc2ccc1Cl ZINC000032579223 570749038 /nfs/dbraw/zinc/74/90/38/570749038.db2.gz WIMHLVFVTKWDTP-UHFFFAOYSA-N -1 0 360.247 3.799 50 10 FHCARM CC1=CN2C(=NC(=O)/C(=C/c3cc(Cl)c([O-])c(Cl)c3)C2=N)S1 ZINC000103750046 570852236 /nfs/dbraw/zinc/85/22/36/570852236.db2.gz CPPDQBTUSACKFF-HSGAOMQKSA-N -1 0 354.218 3.866 50 10 FHCARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000027527775 571013250 /nfs/dbraw/zinc/01/32/50/571013250.db2.gz LFXYKSQAOPFREN-BOPFTXTBSA-N -1 0 364.788 3.660 50 10 FHCARM Cc1cc2oc(=O)c3c(c2c([O-])c1C1=NN[C@H](c2ccccc2)C1)CCC3 ZINC000012388915 571077748 /nfs/dbraw/zinc/07/77/48/571077748.db2.gz LOIATTBTKJARJH-INIZCTEOSA-N -1 0 360.413 3.734 50 10 FHCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=CC=Cc1ccccc1 ZINC000009044737 571092979 /nfs/dbraw/zinc/09/29/79/571092979.db2.gz AFTBRTIJSLPYAY-GUSDSWBTSA-N -1 0 350.349 3.884 50 10 FHCARM COc1cccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000033316246 571232985 /nfs/dbraw/zinc/23/29/85/571232985.db2.gz QEOIFJQTJGDBPI-RAXLEYEMSA-N -1 0 356.765 3.855 50 10 FHCARM O=c1c2ccc([O-])c(O)c2oc(C(F)(F)F)c1-c1ccc([N+](=O)[O-])cc1 ZINC000002311497 571317777 /nfs/dbraw/zinc/31/77/77/571317777.db2.gz LHISJTKTKJNDQR-UHFFFAOYSA-N -1 0 367.235 3.798 50 10 FHCARM CCOC(=O)c1ccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000253529438 571318760 /nfs/dbraw/zinc/31/87/60/571318760.db2.gz JBMWOJWZSMCBJJ-QGZVFWFLSA-N -1 0 350.378 3.738 50 10 FHCARM CCCC(=O)N[C@@H](c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000002470719 571337133 /nfs/dbraw/zinc/33/71/33/571337133.db2.gz HDENPXAEIHEJHC-MRXNPFEDSA-N -1 0 371.418 3.916 50 10 FHCARM CCCC(=O)N[C@H](c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000002470722 571337144 /nfs/dbraw/zinc/33/71/44/571337144.db2.gz HDENPXAEIHEJHC-INIZCTEOSA-N -1 0 371.418 3.916 50 10 FHCARM CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)SC1=S ZINC000002914428 571341683 /nfs/dbraw/zinc/34/16/83/571341683.db2.gz JCOCDHYTHMMUHD-ZROIWOOFSA-N -1 0 359.428 3.866 50 10 FHCARM Cc1cccc(N2[N-]C(=O)/C(=C\c3ccc(-c4ccccc4F)o3)C2=O)c1 ZINC000000683827 219313748 /nfs/dbraw/zinc/31/37/48/219313748.db2.gz BMWSFCOIWKFNTM-SFQUDFHCSA-N -1 0 362.360 3.856 50 10 FHCARM CC(C)(C)C1(C)OC(=O)C(=Cc2cc(Cl)c([O-])c(Cl)c2)C(=O)O1 ZINC000001183988 219386229 /nfs/dbraw/zinc/38/62/29/219386229.db2.gz HEMBYZUWXAKRTO-UHFFFAOYSA-N -1 0 359.205 3.945 50 10 FHCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccccc2F)SC1=S ZINC000001766408 219418296 /nfs/dbraw/zinc/41/82/96/219418296.db2.gz IRRQXCHXYBEHNU-JLHYYAGUSA-N -1 0 353.440 3.672 50 10 FHCARM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1 ZINC000016672133 220191116 /nfs/dbraw/zinc/19/11/16/220191116.db2.gz FHZNMODRTHPLBM-WQRHYEAKSA-N -1 0 350.378 3.930 50 10 FHCARM O=c1c2ccc([O-])c(CN3CCOCC3)c2occ1-c1ccc(Cl)cc1 ZINC000019789590 220296015 /nfs/dbraw/zinc/29/60/15/220296015.db2.gz VNGKNXZGGMTAFC-UHFFFAOYSA-N -1 0 371.820 3.651 50 10 FHCARM CN(C)c1ccc(C=CC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000001202780 132381125 /nfs/dbraw/zinc/38/11/25/132381125.db2.gz WSBFTODMEZTVBC-WNQIWMROSA-N -1 0 361.401 3.816 50 10 FHCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3c(F)cccc3Cl)C2=O)c1 ZINC000001212625 132381177 /nfs/dbraw/zinc/38/11/77/132381177.db2.gz OVJDDAZWXNDEOF-NTEUORMPSA-N -1 0 372.783 3.762 50 10 FHCARM CN(C)c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1 ZINC000015769828 136150849 /nfs/dbraw/zinc/15/08/49/136150849.db2.gz MTZOXFWDKHNLEB-KAMYIIQDSA-N -1 0 369.421 3.563 50 10 FHCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000001811418 570508380 /nfs/dbraw/zinc/50/83/80/570508380.db2.gz CSIAIHVXCOTWLB-JLHYYAGUSA-N -1 0 353.440 3.672 50 10 FHCARM CCCCN1C(=O)[N-]C(=O)C(=Cc2cn(CCC)c3ccccc23)C1=O ZINC000002604251 570526064 /nfs/dbraw/zinc/52/60/64/570526064.db2.gz GGPDNWTZNWFZHM-FOWTUZBSSA-N -1 0 353.422 3.518 50 10 FHCARM C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000017906389 570767117 /nfs/dbraw/zinc/76/71/17/570767117.db2.gz DSRKFQAECDZCIC-JTQLQIEISA-N -1 0 366.826 3.751 50 10 FHCARM Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C1=NN[C@H](c2cccs2)C1 ZINC000012389705 571082593 /nfs/dbraw/zinc/08/25/93/571082593.db2.gz BEFVQFZUQGIWTD-LBPRGKRZSA-N -1 0 354.431 3.924 50 10 FHCARM Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)s1 ZINC000009044196 571093002 /nfs/dbraw/zinc/09/30/02/571093002.db2.gz RVTPKKBZHHLRAS-OQLLNIDSSA-N -1 0 354.431 3.853 50 10 FHCARM CC(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000022298802 930851747 /nfs/dbraw/zinc/85/17/47/930851747.db2.gz IHYHOTTVORKUSR-WQRHYEAKSA-N -1 0 366.392 3.611 50 10 FHCARM O=C([O-])CN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S ZINC000000966883 219347494 /nfs/dbraw/zinc/34/74/94/219347494.db2.gz NJNBOILPWXEYGR-XNTDXEJSSA-N -1 0 371.439 3.765 50 10 FHCARM CN1C(=O)/C(=C/c2cc(Br)cc(Cl)c2[O-])SC1=S ZINC000001190328 219387715 /nfs/dbraw/zinc/38/77/15/219387715.db2.gz NQCSIVZUPOZGSJ-BAQGIRSFSA-N -1 0 364.673 3.639 50 10 FHCARM O=C([N-]C(=O)C(F)(F)F)N[C@H](c1ccccc1)c1cc(Cl)ccc1O ZINC000001298027 219394151 /nfs/dbraw/zinc/39/41/51/219394151.db2.gz ZQHKBEQQBFPOGJ-CYBMUJFWSA-N -1 0 372.730 3.523 50 10 FHCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cn(C)c3ccccc23)SC1=S ZINC000004482976 219578272 /nfs/dbraw/zinc/57/82/72/219578272.db2.gz PYCZSCOMVZGZHM-AHSSXEFNSA-N -1 0 374.487 3.633 50 10 FHCARM COc1ccccc1/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O ZINC000013058473 220056335 /nfs/dbraw/zinc/05/63/35/220056335.db2.gz GKWRCQCNWLPEJX-GDNBJRDFSA-N -1 0 371.439 3.799 50 10 FHCARM O=C([O-])CN1C(=O)/C(=C\c2sc3ccccc3c2Cl)SC1=S ZINC000017473634 220216285 /nfs/dbraw/zinc/21/62/85/220216285.db2.gz ZJJRZLLMNWSCOT-BJMVGYQFSA-N -1 0 369.876 3.841 50 10 FHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000001300517 132381557 /nfs/dbraw/zinc/38/15/57/132381557.db2.gz GFIIXPMEWGTEQK-MHWRWJLKSA-N -1 0 361.357 3.683 50 10 biogenic FHCARM COc1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3)c2=O)c([N+](=O)[O-])c1 ZINC000100500198 222245737 /nfs/dbraw/zinc/24/57/37/222245737.db2.gz PIOPIUIMOOTKAU-WJDWOHSUSA-N -1 0 366.377 3.630 50 10 FHCARM COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3[O-])=NN2)cc1 ZINC000012296309 568097782 /nfs/dbraw/zinc/09/77/82/568097782.db2.gz LGRQVGWHNWCEIE-OAHLLOKOSA-N -1 0 364.401 3.563 50 10 FHCARM CC(=S)/C=C1\Sc2ccc(Cl)cc2N1CCCS(=O)(=O)[O-] ZINC000002026227 570511851 /nfs/dbraw/zinc/51/18/51/570511851.db2.gz VFBVESVFBNWFFS-QPEQYQDCSA-N -1 0 363.913 3.761 50 10 FHCARM CC(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000004822413 570515426 /nfs/dbraw/zinc/51/54/26/570515426.db2.gz LHFPFOQYFPJJMZ-GZTJUZNOSA-N -1 0 352.365 3.616 50 10 FHCARM Cc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)o1 ZINC000004356939 570755972 /nfs/dbraw/zinc/75/59/72/570755972.db2.gz UNIYALBDGSUJFM-KADHNRKRSA-N -1 0 359.428 3.615 50 10 FHCARM CCOc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000017124499 570869091 /nfs/dbraw/zinc/86/90/91/570869091.db2.gz YSAMXAMNISAMKE-WJDWOHSUSA-N -1 0 370.405 3.896 50 10 FHCARM CC(C)c1ccc(N2C(=O)/C(=C/c3cccs3)C(=O)[N-]C2=S)cc1 ZINC000004724070 571168741 /nfs/dbraw/zinc/16/87/41/571168741.db2.gz JCWJFASWCYOXJK-XNTDXEJSSA-N -1 0 356.472 3.703 50 10 FHCARM CC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)OC(C)C)C1 ZINC000005953976 571169239 /nfs/dbraw/zinc/16/92/39/571169239.db2.gz AOYPCACRACGRSF-LLVKDONJSA-N -1 0 367.467 3.632 50 10 FHCARM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)ccc1Cl ZINC000002303462 571317381 /nfs/dbraw/zinc/31/73/81/571317381.db2.gz VJSXJBRRUVDPIT-WUXMJOGZSA-N -1 0 365.819 3.787 50 10 FHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000000686995 219313156 /nfs/dbraw/zinc/31/31/56/219313156.db2.gz NDWMSBYUWXNXGT-HMMYKYKNSA-N -1 0 370.408 3.727 50 10 FHCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000000686935 219313233 /nfs/dbraw/zinc/31/32/33/219313233.db2.gz DBMRTLUHQZNXMI-NTUHNPAUSA-N -1 0 372.211 3.936 50 10 FHCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 ZINC000000966740 219348145 /nfs/dbraw/zinc/34/81/45/219348145.db2.gz SBAWETQNNLKNNE-ZROIWOOFSA-N -1 0 359.403 3.930 50 10 FHCARM CCCOc1ccc(C=C2C(=O)[N-]N(c3ccccc3)C2=O)cc1OC ZINC000004854705 219615692 /nfs/dbraw/zinc/61/56/92/219615692.db2.gz ZQGJPTAMOXUTJZ-VBKFSLOCSA-N -1 0 352.390 3.786 50 10 FHCARM CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccccc1OCC(=O)[O-] ZINC000012601602 220011807 /nfs/dbraw/zinc/01/18/07/220011807.db2.gz IUYFMZYGXYEPCD-SXGWCWSVSA-N -1 0 370.792 3.610 50 10 FHCARM CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000015930648 220172277 /nfs/dbraw/zinc/17/22/77/220172277.db2.gz JPLXEMSPURQRRE-DHDCSXOGSA-N -1 0 373.771 3.896 50 10 FHCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000017042513 220200945 /nfs/dbraw/zinc/20/09/45/220200945.db2.gz OOOCKRASDPCXDI-ATVHPVEESA-N -1 0 363.417 3.725 50 10 FHCARM O=C([O-])CN1C(=O)/C(=C\c2cc(-c3ccccc3)cs2)SC1=S ZINC000055038000 221057326 /nfs/dbraw/zinc/05/73/26/221057326.db2.gz ODZRWSJEMCQYIV-NTUHNPAUSA-N -1 0 361.469 3.701 50 10 FHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cnc(-c2ccccc2)nc1 ZINC000001408019 132303854 /nfs/dbraw/zinc/30/38/54/132303854.db2.gz IIWRYHHCNJCQBG-GZTJUZNOSA-N -1 0 370.368 3.650 50 10 FHCARM CN(C)c1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000001184860 132380866 /nfs/dbraw/zinc/38/08/66/132380866.db2.gz VFWMMOLGXBLXRD-MHWRWJLKSA-N -1 0 369.808 3.913 50 10 FHCARM CCn1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000001887273 132382500 /nfs/dbraw/zinc/38/25/00/132382500.db2.gz JCEHEMNZFNKDEX-LDADJPATSA-N -1 0 373.412 3.840 50 10 FHCARM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc[nH]1 ZINC000020463890 132896719 /nfs/dbraw/zinc/89/67/19/132896719.db2.gz RXVIVONUCGDBCE-WQLSENKSSA-N -1 0 365.336 3.705 50 10 FHCARM COc1cccc(N=C(C)c2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c1OC ZINC000100423145 222243836 /nfs/dbraw/zinc/24/38/36/222243836.db2.gz LZABZKYAANYHQZ-PDGQHHTCSA-N -1 0 369.396 3.952 50 10 FHCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)o3)C2=O)cc1 ZINC000005024808 570576210 /nfs/dbraw/zinc/57/62/10/570576210.db2.gz LRXFIZNUIIBIHG-UEMWTREESA-N -1 0 352.390 3.768 50 10 FHCARM CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCCCC2 ZINC000002760519 570669547 /nfs/dbraw/zinc/66/95/47/570669547.db2.gz VNHKWGAUIUDOQJ-UHFFFAOYSA-N -1 0 367.467 3.777 50 10 FHCARM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)c1 ZINC000008744506 570687211 /nfs/dbraw/zinc/68/72/11/570687211.db2.gz BREQBCFRTYPBBK-SFQUDFHCSA-N -1 0 363.417 3.876 50 10 FHCARM O=C([O-])c1ccc(N2N=C(c3ccccc3)/C(=C\c3ccco3)C2=O)cc1 ZINC000102165167 570828801 /nfs/dbraw/zinc/82/88/01/570828801.db2.gz DPRAAWJDYOMXPN-QGOAFFKASA-N -1 0 358.353 3.812 50 10 FHCARM O=C([O-])CCCCCN1C(=O)/C(=C\C=C\c2ccco2)SC1=S ZINC000027533551 571012967 /nfs/dbraw/zinc/01/29/67/571012967.db2.gz GRSATFQZCHTSEB-HDZFOZLDSA-N -1 0 351.449 3.682 50 10 FHCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(C)c4ccccc34)C2=O)c1 ZINC000008974565 571085867 /nfs/dbraw/zinc/08/58/67/571085867.db2.gz YIKVTTODIBALQN-BOPFTXTBSA-N -1 0 359.385 3.993 50 10 FHCARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000001805103 571194121 /nfs/dbraw/zinc/19/41/21/571194121.db2.gz CWGFMGDLCSEMEU-QDECMSLZSA-N -1 0 374.487 3.868 50 10 FHCARM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000004783826 571235817 /nfs/dbraw/zinc/23/58/17/571235817.db2.gz VOOBMGMFLRZKFB-RAOBZKRQSA-N -1 0 370.449 3.658 50 10 FHCARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Br)cn1 ZINC000095276478 571328717 /nfs/dbraw/zinc/32/87/17/571328717.db2.gz MJFUSUOAJAYTEH-XNTDXEJSSA-N -1 0 371.238 3.871 50 10 FHCARM O=c1oc2c(ccc([O-])c2CN2CCOCC2)cc1-c1ccc(Cl)cc1 ZINC000020419238 571329431 /nfs/dbraw/zinc/32/94/31/571329431.db2.gz CNVMEXDFYMXAFA-UHFFFAOYSA-N -1 0 371.820 3.651 50 10 FHCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1 ZINC000000820691 219326982 /nfs/dbraw/zinc/32/69/82/219326982.db2.gz QAVOLHMSUZKUPY-LDADJPATSA-N -1 0 369.852 3.648 50 10 FHCARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)c1 ZINC000000967152 219347825 /nfs/dbraw/zinc/34/78/25/219347825.db2.gz GWFWZCMKFUNLOB-NTEUORMPSA-N -1 0 359.403 3.930 50 10 FHCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000000966723 219347843 /nfs/dbraw/zinc/34/78/43/219347843.db2.gz VOSYPXSHMLLTKA-BAAYTWLHSA-N -1 0 373.430 3.853 50 10 FHCARM COCCn1c(CCC(=O)[O-])ccc1-c1ccc(Br)cc1 ZINC000002880775 219473375 /nfs/dbraw/zinc/47/33/75/219473375.db2.gz QQMQZBJYPTYBOB-UHFFFAOYSA-N -1 0 352.228 3.581 50 10 FHCARM COC(=O)c1ccccc1N=C(C)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O ZINC000013183523 220061050 /nfs/dbraw/zinc/06/10/50/220061050.db2.gz FPKDXDRKQXJCQR-LDADJPATSA-N -1 0 367.380 3.721 50 10 FHCARM CC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]N(c4ccccc4)C3=O)o2)cc1 ZINC000017145933 220207799 /nfs/dbraw/zinc/20/77/99/220207799.db2.gz QGWSVJVCMDAZPK-UYRXBGFRSA-N -1 0 372.380 3.611 50 10 FHCARM CCOc1ccc(NC=C2C(=O)N(c3nc4ccccc4[nH]3)N=C2C)cc1 ZINC000018254450 220230275 /nfs/dbraw/zinc/23/02/75/220230275.db2.gz VLWAIMXLXAEEAE-FOWTUZBSSA-N -1 0 361.405 3.680 50 10 FHCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccc2ccccc12 ZINC000001171298 132252508 /nfs/dbraw/zinc/25/25/08/132252508.db2.gz ZMJLZZQHKHFDCY-FOWTUZBSSA-N -1 0 360.344 3.645 50 10 FHCARM Cc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)C(=O)[N-]C2=S)cc1 ZINC000033319798 568491607 /nfs/dbraw/zinc/49/16/07/568491607.db2.gz JWYASFJYEAXERS-ATVHPVEESA-N -1 0 365.458 3.733 50 10 FHCARM COc1cccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)c1 ZINC000001916881 570509667 /nfs/dbraw/zinc/50/96/67/570509667.db2.gz HYLQGWNFXDFPBC-SDNWHVSQSA-N -1 0 365.476 3.541 50 10 FHCARM O=C([O-])c1cc(N2C(=O)/C(=C\c3cccs3)SC2=S)ccc1O ZINC000004357009 570586462 /nfs/dbraw/zinc/58/64/62/570586462.db2.gz LKBQKHAEISOPFF-KPKJPENVSA-N -1 0 363.441 3.558 50 10 FHCARM CCN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000005128002 570587445 /nfs/dbraw/zinc/58/74/45/570587445.db2.gz UKPONNDZWAVGKH-BOPFTXTBSA-N -1 0 369.852 3.566 50 10 FHCARM Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000004688027 570601125 /nfs/dbraw/zinc/60/11/25/570601125.db2.gz GIZXEMLINGQMSA-SXGWCWSVSA-N -1 0 370.430 3.767 50 10 FHCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1C ZINC000008743342 570687077 /nfs/dbraw/zinc/68/70/77/570687077.db2.gz DITNNDAAQSTKRH-MHWRWJLKSA-N -1 0 367.474 3.930 50 10 FHCARM O=C([O-])C1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000103793464 570852653 /nfs/dbraw/zinc/85/26/53/570852653.db2.gz QJBXEOJTMYCTTF-MDWZMJQESA-N -1 0 361.184 3.864 50 10 FHCARM COC(=O)c1ccc([C@@H]2Nc3ccc(CC(=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004623494 571121894 /nfs/dbraw/zinc/12/18/94/571121894.db2.gz BMYSBHIBTWFUFS-FIKGOQFSSA-N -1 0 363.413 3.927 50 10 FHCARM Cc1c(C)c(=O)oc2c1ccc([O-])c2C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000085878679 571127283 /nfs/dbraw/zinc/12/72/83/571127283.db2.gz MMCKWDBPDYZIFC-FQEVSTJZSA-N -1 0 365.429 3.689 50 10 FHCARM O=C([O-])c1cc(N2C(=O)/C(=C/c3cccs3)SC2=S)ccc1O ZINC000035648657 571184543 /nfs/dbraw/zinc/18/45/43/571184543.db2.gz LKBQKHAEISOPFF-GHXNOFRVSA-N -1 0 363.441 3.558 50 10 FHCARM Cc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)s1 ZINC000003766112 571187615 /nfs/dbraw/zinc/18/76/15/571187615.db2.gz OYKYDUVLJNQMBG-YRNVUSSQSA-N -1 0 366.514 3.664 50 10 FHCARM CCN(CC)c1ccc(/C=C/c2nc(N)nc(-c3ccccc3[O-])n2)cc1 ZINC000004757846 571213560 /nfs/dbraw/zinc/21/35/60/571213560.db2.gz JUXADMUTBVUKCN-SDNWHVSQSA-N -1 0 361.449 3.843 50 10 FHCARM O=C([O-])COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000001581279 571235029 /nfs/dbraw/zinc/23/50/29/571235029.db2.gz FHJKCRLEDVBTTI-GDNBJRDFSA-N -1 0 371.439 3.556 50 10 FHCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000002288232 571311759 /nfs/dbraw/zinc/31/17/59/571311759.db2.gz OOOCKRASDPCXDI-SFQUDFHCSA-N -1 0 363.417 3.520 50 10 FHCARM CC(C)C(=O)N[C@@H](c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004171967 571356397 /nfs/dbraw/zinc/35/63/97/571356397.db2.gz UGVXTILPQFDWHE-OAHLLOKOSA-N -1 0 371.418 3.772 50 10 FHCARM