smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1[C@@H]1CC(c2cc(Br)ccc2O)=NN1 ZINC000004916359 201360440 /nfs/dbraw/zinc/36/04/40/201360440.db2.gz PFILICLWKWHUSX-ZDUSSCGKSA-N -1 0 347.212 3.602 50 10 EHCARM CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1 ZINC000000967138 201495910 /nfs/dbraw/zinc/49/59/10/201495910.db2.gz MYYCKVZMZUBXMY-JLHYYAGUSA-N -1 0 349.477 3.660 50 10 EHCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S ZINC000006097154 201672915 /nfs/dbraw/zinc/67/29/15/201672915.db2.gz GGKRDSVPAHFGQP-RSYJBZMQSA-N -1 0 343.429 3.514 50 10 EHCARM CC(C)c1ccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1 ZINC000005481994 564005960 /nfs/dbraw/zinc/00/59/60/564005960.db2.gz FPWSMRWZXJITGM-YVLHZVERSA-N -1 0 340.810 3.925 50 10 EHCARM O=C1NC(=S)S/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000005771941 564072246 /nfs/dbraw/zinc/07/22/46/564072246.db2.gz XJZXPXKYNCMHMM-OQLLNIDSSA-N -1 0 345.420 3.894 50 10 EHCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3cccs3)SC2=S)c1 ZINC000001452330 564072853 /nfs/dbraw/zinc/07/28/53/564072853.db2.gz ISNNRBPUTBOXIU-WQLSENKSSA-N -1 0 347.442 3.852 50 10 EHCARM Cc1[n-]n(-c2ccccc2C)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1 ZINC000006223417 564083061 /nfs/dbraw/zinc/08/30/61/564083061.db2.gz VSJLBCJZKYLWNW-LFIBNONCSA-N -1 0 336.351 3.622 50 10 EHCARM O=c1[n-]n2c([nH]c3c(c2=O)CCCC3)c1N=Nc1cccc(Cl)c1 ZINC000334159055 564148921 /nfs/dbraw/zinc/14/89/21/564148921.db2.gz PUAFLNVMPYKYQF-UHFFFAOYSA-N -1 0 343.774 3.676 50 10 EHCARM CN1C(=O)[N-]C(=O)C(=Cc2c3ccccc3[nH]c2-c2ccccc2)C1=O ZINC000009319843 564172625 /nfs/dbraw/zinc/17/26/25/564172625.db2.gz TZVILGDGNQDHNP-PTNGSMBKSA-N -1 0 345.358 3.767 50 10 EHCARM O=C([O-])c1ccc(NC2=NC(=O)C(=Cc3cccs3)S2)cc1 ZINC000028296979 202169156 /nfs/dbraw/zinc/16/91/56/202169156.db2.gz QBCHAZSOHWBDAH-XYOKQWHBSA-N -1 0 330.390 3.529 50 10 EHCARM COc1ccc(-c2ccc(CCC(=O)[O-])n2Cc2ccco2)cc1 ZINC000000470001 201477272 /nfs/dbraw/zinc/47/72/72/201477272.db2.gz CHRFPORPDKLZFS-UHFFFAOYSA-N -1 0 325.364 3.822 50 10 EHCARM O=C([O-])[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Cl)cc3c2N1C[C@@H]1CC=C[C@H]31 ZINC000229968492 242220337 /nfs/dbraw/zinc/22/03/37/242220337.db2.gz XIFMNZHDPSPECA-KGPAQONLSA-N -1 0 327.811 3.946 50 10 EHCARM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000000509946 206238402 /nfs/dbraw/zinc/23/84/02/206238402.db2.gz DKMZFJUWHVLJGF-GZTJUZNOSA-N -1 0 337.423 3.572 50 10 EHCARM O=C([O-])c1cccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1 ZINC000002988292 563467530 /nfs/dbraw/zinc/46/75/30/563467530.db2.gz JSYFIMCBZAZWCV-GXDHUFHOSA-N -1 0 347.461 3.919 50 10 EHCARM Cc1ccc(N2C(=O)C(=CC=Cc3ccco3)C(=O)[N-]C2=S)cc1 ZINC000001241625 564062607 /nfs/dbraw/zinc/06/26/07/564062607.db2.gz CRWXIJZMYXMQLH-XEXQVEHGSA-N -1 0 338.388 3.816 50 10 EHCARM CC(=O)Nc1ccc(-n2[n-]c(C)c(N=Nc3ccc(C)cc3)c2=O)cc1 ZINC000101504064 204008942 /nfs/dbraw/zinc/00/89/42/204008942.db2.gz FYNBPFXXPNOENP-KHOFPDMRSA-N -1 0 349.394 3.828 50 10 EHCARM O=C([O-])c1ccccc1Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000003878832 563490067 /nfs/dbraw/zinc/49/00/67/563490067.db2.gz BXSCARJCEFJTJZ-UHFFFAOYSA-N -1 0 343.338 3.904 50 10 EHCARM Cc1nc(N)sc1-c1csc(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000001895797 1015844534 /nfs/dbraw/zinc/84/45/34/1015844534.db2.gz SDEPNRZIPOVPRL-UHFFFAOYSA-N -1 0 332.410 3.599 50 10 EHCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1C ZINC000020075107 202031604 /nfs/dbraw/zinc/03/16/04/202031604.db2.gz AAWNJMOFBFFRMF-LFIBNONCSA-N -1 0 336.351 3.622 50 10 EHCARM Cc1cc2c(n1-c1ccc(C)cc1)CCC(C(=O)C(F)(F)F)=C2[O-] ZINC000003268647 201563056 /nfs/dbraw/zinc/56/30/56/201563056.db2.gz HVIQSCXRCNULEX-CYBMUJFWSA-N -1 0 335.325 3.971 50 10 EHCARM Cc1ccc(C=C2C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)s1 ZINC000056672777 132197744 /nfs/dbraw/zinc/19/77/44/132197744.db2.gz BJFNZMBXSYHJED-JYRVWZFOSA-N -1 0 346.408 3.867 50 10 EHCARM Nc1ccc(Oc2c(Cl)cc(Cl)cc2S(=O)(=O)[O-])cc1 ZINC000002165115 563425131 /nfs/dbraw/zinc/42/51/31/563425131.db2.gz YZNUTRRIGHLWIP-UHFFFAOYSA-N -1 0 334.180 3.615 50 10 EHCARM Cc1oc(C(=O)[O-])cc1COc1ccc2c(C)c(C)c(=O)oc2c1 ZINC000002482284 563433514 /nfs/dbraw/zinc/43/35/14/563433514.db2.gz GXBLGCBHYFCKEZ-UHFFFAOYSA-N -1 0 328.320 3.588 50 10 biogenic EHCARM CCc1ccc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1 ZINC000004592198 563505791 /nfs/dbraw/zinc/50/57/91/563505791.db2.gz AXLAIOMVPSVLFP-WQRHYEAKSA-N -1 0 334.375 3.753 50 10 EHCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cccs1 ZINC000017160646 563839058 /nfs/dbraw/zinc/83/90/58/563839058.db2.gz MKKQUOFAFVQDCS-CSKARUKUSA-N -1 0 332.381 3.559 50 10 EHCARM CC(=O)Nc1ccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000100105154 563982352 /nfs/dbraw/zinc/98/23/52/563982352.db2.gz DJNOIDGQRCWGSS-SGRLSNSRSA-N -1 0 335.367 3.520 50 10 EHCARM CCc1cc(=O)oc2cc(OCc3cc(C(=O)[O-])oc3C)ccc12 ZINC000000200929 563988325 /nfs/dbraw/zinc/98/83/25/563988325.db2.gz AKGWAINBAUTECY-UHFFFAOYSA-N -1 0 328.320 3.534 50 10 biogenic EHCARM Cc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)s1 ZINC000005602377 564006318 /nfs/dbraw/zinc/00/63/18/564006318.db2.gz IREVKIOSUUKWCR-OQLLNIDSSA-N -1 0 326.377 3.561 50 10 EHCARM Cc1[nH]c2ccc(NC=C3C(C)=NN(c4ccc(C)cc4)C3=O)cc2[nH+]1 ZINC000101113911 564019212 /nfs/dbraw/zinc/01/92/12/564019212.db2.gz WQAMUHISYYUAHU-GZTJUZNOSA-N -1 0 345.406 3.898 50 10 EHCARM CC(=O)c1ccc(-c2ccc(C=C3SC(=S)NC3=O)o2)cc1 ZINC000001446532 564087844 /nfs/dbraw/zinc/08/78/44/564087844.db2.gz BMDUKCMLAWNULI-RIYZIHGNSA-N -1 0 329.402 3.638 50 10 EHCARM O=C([O-])[C@H]1Nc2ccc(C(=O)OC3CCCCC3)cc2[C@@H]2C=CC[C@@H]21 ZINC000002459142 564149620 /nfs/dbraw/zinc/14/96/20/564149620.db2.gz ICOHVCVFOZOLOK-VKJFTORMSA-N -1 0 341.407 3.715 50 10 EHCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C1=Nc2cccc3cccc1c23 ZINC000685944650 1016430511 /nfs/dbraw/zinc/43/05/11/1016430511.db2.gz LJSULWJZVHUWFX-ZZEZOPTASA-N -1 0 325.371 3.613 50 10 EHCARM CCOC(=O)c1ccc(NN=C2C=CC(=O)C(CC(=O)[O-])=C2)cc1 ZINC000306147440 257926634 /nfs/dbraw/zinc/92/66/34/257926634.db2.gz YYBSDOZYJSGLTH-UHFFFAOYSA-N -1 0 328.324 3.611 50 10 EHCARM O=C1[N-]C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cccs1 ZINC000000464050 563327948 /nfs/dbraw/zinc/32/79/48/563327948.db2.gz CXDUWZWIBRRFLV-XYOKQWHBSA-N -1 0 346.795 3.904 50 10 EHCARM CC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2cccnc2c1O ZINC000000087274 563976250 /nfs/dbraw/zinc/97/62/50/563976250.db2.gz UZLBHGBBHNHZNS-CQSZACIVSA-N -1 0 332.812 3.881 50 10 EHCARM O=C1C(=CNc2ccc(Cl)cc2)C=NN1c1cccc(Cl)n1 ZINC000100401409 563992326 /nfs/dbraw/zinc/99/23/26/563992326.db2.gz GLVSNLIXWFTYMG-NTMALXAHSA-N -1 0 333.178 3.717 50 10 EHCARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc(Cl)ccc1O ZINC000101125050 564019228 /nfs/dbraw/zinc/01/92/28/564019228.db2.gz WRDIPJAUOPNSQT-NTEUORMPSA-N -1 0 345.761 3.903 50 10 EHCARM COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccccc2O)cc1 ZINC000000559689 564023146 /nfs/dbraw/zinc/02/31/46/564023146.db2.gz SKZWXLRCKAXPDZ-UHFFFAOYSA-N -1 0 337.375 3.876 50 10 EHCARM Cc1ccc(N2[N-]C(=O)/C(=C/C=C/c3ccccc3Cl)C2=O)cc1 ZINC000032109842 564063305 /nfs/dbraw/zinc/06/33/05/564063305.db2.gz OOWXYMYKDDAYPP-ZGCWVLQWSA-N -1 0 338.794 3.666 50 10 EHCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CC=Cc1ccco1 ZINC000017028999 564116229 /nfs/dbraw/zinc/11/62/29/564116229.db2.gz BMCNYFPWHQGLFV-NTOUICHMSA-N -1 0 342.738 3.996 50 10 EHCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000008557335 564165686 /nfs/dbraw/zinc/16/56/86/564165686.db2.gz KHTPXQMATLGAKM-ZSOIEALJSA-N -1 0 347.201 3.763 50 10 EHCARM O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1cc(Cl)ccc1Cl ZINC000035325377 202297105 /nfs/dbraw/zinc/29/71/05/202297105.db2.gz IVQDGZFIVWAXET-UHFFFAOYSA-N -1 0 341.150 3.537 50 10 EHCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000021670043 212238986 /nfs/dbraw/zinc/23/89/86/212238986.db2.gz KTXKUPYWXHVWAW-PTNGSMBKSA-N -1 0 336.347 3.510 50 10 EHCARM O=[N+]([O-])c1ccc([O-])c(CNc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000013801222 563724127 /nfs/dbraw/zinc/72/41/27/563724127.db2.gz MIMNQEYCYALWQT-UHFFFAOYSA-N -1 0 334.200 3.608 50 10 EHCARM Nc1[n-]n2c(nc(-c3ccccc3)cc2=O)c1N=Nc1ccccc1 ZINC000334159061 564148916 /nfs/dbraw/zinc/14/89/16/564148916.db2.gz TZDDCTOECRUVJJ-UHFFFAOYSA-N -1 0 330.351 3.687 50 10 EHCARM O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1cccc(Cl)c1Cl ZINC000035325381 202297944 /nfs/dbraw/zinc/29/79/44/202297944.db2.gz MZZVPHWESXKIEE-UHFFFAOYSA-N -1 0 341.150 3.537 50 10 EHCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1 ZINC000000975583 201495407 /nfs/dbraw/zinc/49/54/07/201495407.db2.gz PHBZBJSIYNXUGX-XYOKQWHBSA-N -1 0 347.442 3.852 50 10 EHCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 ZINC000001774372 205598794 /nfs/dbraw/zinc/59/87/94/205598794.db2.gz HJGHAHOKZBWVGK-GXDHUFHOSA-N -1 0 341.413 3.791 50 10 EHCARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000100041051 563981345 /nfs/dbraw/zinc/98/13/45/563981345.db2.gz SKRVHHBRXLVTIY-RVDMUPIBSA-N -1 0 336.351 3.622 50 10 EHCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000001211079 564056645 /nfs/dbraw/zinc/05/66/45/564056645.db2.gz GGKRDSVPAHFGQP-AHEVQNHNSA-N -1 0 343.429 3.514 50 10 EHCARM O=c1[n-]n2c([nH]c(-c3ccccc3)cc2=O)c1N=Nc1ccccc1F ZINC000334159073 564148906 /nfs/dbraw/zinc/14/89/06/564148906.db2.gz AMGXWYUXHDIXJR-UHFFFAOYSA-N -1 0 349.325 3.950 50 10 EHCARM Cc1cc2c(n1-c1ccc(F)cc1)CCC(C(=O)C(F)(F)F)=C2[O-] ZINC000003230686 201560739 /nfs/dbraw/zinc/56/07/39/201560739.db2.gz OLBCHBVTUMADJP-LBPRGKRZSA-N -1 0 339.288 3.801 50 10 EHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(Cl)s1 ZINC000039369572 132396950 /nfs/dbraw/zinc/39/69/50/132396950.db2.gz IWGVVLHIVJHQCE-DHZHZOJOSA-N -1 0 332.768 3.908 50 10 EHCARM Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c3ncccc23)cc1 ZINC000002697977 1023960960 /nfs/dbraw/zinc/96/09/60/1023960960.db2.gz VNDZMSRQSGKBEY-UHFFFAOYSA-N -1 0 348.811 3.703 50 10 EHCARM O=C1C=CC(S(=O)(=O)[O-])=CC1=NNc1c(O)ccc2ccccc21 ZINC000004261869 201595415 /nfs/dbraw/zinc/59/54/15/201595415.db2.gz IGLJWNJJOFKOTF-ISLYRVAYSA-N -1 0 344.348 3.913 50 10 EHCARM CC(=O)Nc1ccc(-n2[n-]c(C)c(N=Nc3ccc(C)cc3)c2=O)cc1 ZINC000097962867 203975756 /nfs/dbraw/zinc/97/57/56/203975756.db2.gz FYNBPFXXPNOENP-VEGAHXMMSA-N -1 0 349.394 3.828 50 10 EHCARM O=C1[N-]C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1 ZINC000008739256 563638478 /nfs/dbraw/zinc/63/84/78/563638478.db2.gz KXBVYOABAOTVEZ-UHFFFAOYSA-N -1 0 348.767 3.674 50 10 EHCARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000017028474 563829438 /nfs/dbraw/zinc/82/94/38/563829438.db2.gz CWXOZAXGQUQACD-XNTDXEJSSA-N -1 0 337.379 3.803 50 10 EHCARM O=S(=O)([N-]c1cccc2ccccc21)c1cccc2nsnc21 ZINC000000315177 563990995 /nfs/dbraw/zinc/99/09/95/563990995.db2.gz CNMSOKMWXXBHFA-UHFFFAOYSA-N -1 0 341.417 3.645 50 10 EHCARM Cc1[nH]c2ccc(NC=C3C(=O)N(c4ccc(F)cc4)N=C3C)cc2[nH+]1 ZINC000101113876 564019199 /nfs/dbraw/zinc/01/91/99/564019199.db2.gz XQHPMSCUDIVDPY-MHWRWJLKSA-N -1 0 349.369 3.729 50 10 EHCARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cc(Cl)ccn1 ZINC000220952115 564036004 /nfs/dbraw/zinc/03/60/04/564036004.db2.gz LZUGUZBSROEMMK-XNTDXEJSSA-N -1 0 326.787 3.762 50 10 EHCARM O=C([O-])c1cc(-c2ccc(C=C3SC(=O)NC3=O)o2)ccc1Cl ZINC000003205848 564058418 /nfs/dbraw/zinc/05/84/18/564058418.db2.gz FULWCUIFMVEEMF-WUXMJOGZSA-N -1 0 349.751 3.622 50 10 EHCARM CC(=O)Nc1ccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000252599464 564121148 /nfs/dbraw/zinc/12/11/48/564121148.db2.gz DJNOIDGQRCWGSS-QGZVFWFLSA-N -1 0 335.367 3.520 50 10 EHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4ccccc4[nH]3)C2=O)cc1 ZINC000034209892 132387809 /nfs/dbraw/zinc/38/78/09/132387809.db2.gz OKVLARLGMKELSE-WJDWOHSUSA-N -1 0 345.358 3.983 50 10 EHCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000001907700 563415903 /nfs/dbraw/zinc/41/59/03/563415903.db2.gz RBQYTRMRAMKNBT-QBFSEMIESA-N -1 0 335.450 3.533 50 10 EHCARM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1 ZINC000014255822 563756360 /nfs/dbraw/zinc/75/63/60/563756360.db2.gz NWPITUXQTFMUCW-NSHDSACASA-N -1 0 331.397 3.537 50 10 EHCARM Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)s1 ZINC000017029217 563829510 /nfs/dbraw/zinc/82/95/10/563829510.db2.gz RFGJUMMSYFUJKE-UKTHLTGXSA-N -1 0 326.377 3.872 50 10 EHCARM O=C([O-])CCCCCN1C(=O)/C(=C\C2CCCCC2)SC1=S ZINC000013115503 564102737 /nfs/dbraw/zinc/10/27/37/564102737.db2.gz KAKGWVUFKSBCSS-ACCUITESSA-N -1 0 341.498 3.956 50 10 EHCARM O=C1c2cccc(O)c2C=CC1=NNc1cccc(S(=O)(=O)[O-])c1 ZINC000257347797 564130219 /nfs/dbraw/zinc/13/02/19/564130219.db2.gz UWKRNTUZFVYPLZ-UHFFFAOYSA-N -1 0 344.348 3.913 50 10 EHCARM Nc1[n-]n2c(nc(-c3ccccc3)cc2=O)c1N=Nc1ccccc1F ZINC000334159094 564148918 /nfs/dbraw/zinc/14/89/18/564148918.db2.gz GOIHDGWFDBYIHD-UHFFFAOYSA-N -1 0 348.341 3.826 50 10 EHCARM COc1ccc(OC)c(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)c1 ZINC000102148372 204033340 /nfs/dbraw/zinc/03/33/40/204033340.db2.gz BVAXHYVDBBAHQS-NHKNDPDJSA-N -1 0 338.367 3.579 50 10 EHCARM CC(=Nc1ccccn1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000100422949 563982608 /nfs/dbraw/zinc/98/26/08/563982608.db2.gz QCZBDTDZAFQIMA-WJDWOHSUSA-N -1 0 349.419 3.800 50 10 EHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CC=CNc3ccccc3)C2=O)cc1 ZINC000006897974 564100971 /nfs/dbraw/zinc/10/09/71/564100971.db2.gz QFEHYTVKEKLZAN-DSIZIARHSA-N -1 0 347.374 3.970 50 10 EHCARM COc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)cc1 ZINC000218381958 241317726 /nfs/dbraw/zinc/31/77/26/241317726.db2.gz HONGUKIIFQRCAQ-UHFFFAOYSA-N -1 0 347.330 3.944 50 10 EHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 ZINC000000093246 563223179 /nfs/dbraw/zinc/22/31/79/563223179.db2.gz RPRVTMMOEZIAQY-SFQUDFHCSA-N -1 0 348.333 3.547 50 10 EHCARM O=C([O-])c1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000013388278 563697147 /nfs/dbraw/zinc/69/71/47/563697147.db2.gz NOUSLCHOIWJJPG-GXDHUFHOSA-N -1 0 341.413 3.791 50 10 EHCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CC=Cc1ccccc1 ZINC000033305763 563973344 /nfs/dbraw/zinc/97/33/44/563973344.db2.gz RAGJGJAXSOVRAX-YTLDOUCOSA-N -1 0 334.400 3.914 50 10 EHCARM CC(=O)c1c(-c2ccccc2)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000100092662 563982348 /nfs/dbraw/zinc/98/23/48/563982348.db2.gz WYCWAKWVTHRFBE-PTNGSMBKSA-N -1 0 335.388 3.879 50 10 EHCARM CC(=O)c1c(-c2ccccc2)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000100095853 563983053 /nfs/dbraw/zinc/98/30/53/563983053.db2.gz WYCWAKWVTHRFBE-RVDMUPIBSA-N -1 0 335.388 3.879 50 10 EHCARM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)C1=Cc1ccsc1 ZINC000033315700 564036711 /nfs/dbraw/zinc/03/67/11/564036711.db2.gz SBUKHHDSSPQKCM-SDQBBNPISA-N -1 0 332.381 3.559 50 10 EHCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CC=CNc3ccccc3)C2=O)c1 ZINC000006898279 564100965 /nfs/dbraw/zinc/10/09/65/564100965.db2.gz YQPYPPCSHBFUPP-JOOVPGNMSA-N -1 0 347.374 3.970 50 10 EHCARM O=C([O-])[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Cl)cc3c2N1C[C@H]1CC=C[C@H]31 ZINC000239433185 526293483 /nfs/dbraw/zinc/29/34/83/526293483.db2.gz XIFMNZHDPSPECA-ANXWAFIOSA-N -1 0 327.811 3.946 50 10 EHCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccco3)C2=O)c1 ZINC000000448957 563318492 /nfs/dbraw/zinc/31/84/92/563318492.db2.gz PCXJQWHDXBGRHP-FWPHUCDGSA-N -1 0 336.347 3.959 50 10 EHCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CC=Cc1ccccc1 ZINC000000341594 563991364 /nfs/dbraw/zinc/99/13/64/563991364.db2.gz RAGJGJAXSOVRAX-NJKRNUQASA-N -1 0 334.400 3.914 50 10 EHCARM CC(=O)Nc1ccc(-n2[n-]c(C)c(N=Nc3ccccc3)c2=O)cc1 ZINC000252597953 563997941 /nfs/dbraw/zinc/99/79/41/563997941.db2.gz CWPUTESRMBVLGF-KRWDZBQOSA-N -1 0 335.367 3.520 50 10 EHCARM [O-]c1c2oc3c(nc4n[nH]cc4c3-c3ccc(O)cc3)c2ccc1O ZINC000217780230 241275591 /nfs/dbraw/zinc/27/55/91/241275591.db2.gz GFBGADGHQOROQU-UHFFFAOYSA-N -1 0 333.303 3.641 50 10 biogenic EHCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000001907699 201521500 /nfs/dbraw/zinc/52/15/00/201521500.db2.gz RBQYTRMRAMKNBT-ACCUITESSA-N -1 0 335.450 3.533 50 10 EHCARM CC(C)c1ccc(N2C(=O)C(=Cc3ccc[nH]3)C(=O)[N-]C2=S)cc1 ZINC000057462901 132200770 /nfs/dbraw/zinc/20/07/70/132200770.db2.gz AENUYTORYANROM-GDNBJRDFSA-N -1 0 339.420 3.810 50 10 EHCARM CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O ZINC000012342801 563658572 /nfs/dbraw/zinc/65/85/72/563658572.db2.gz CEKGMWZDBWCZMS-MQZPGMTCSA-N -1 0 347.461 3.699 50 10 EHCARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc(Cl)ccc1O ZINC000017130547 564116518 /nfs/dbraw/zinc/11/65/18/564116518.db2.gz WRDIPJAUOPNSQT-ZROIWOOFSA-N -1 0 345.761 3.903 50 10 EHCARM CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O ZINC000004837502 201621666 /nfs/dbraw/zinc/62/16/66/201621666.db2.gz CEKGMWZDBWCZMS-NCPBJGSTSA-N -1 0 347.461 3.699 50 10 EHCARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)c1 ZINC000000966964 563366434 /nfs/dbraw/zinc/36/64/34/563366434.db2.gz ZXNFVGYFPHSNJJ-NTEUORMPSA-N -1 0 341.413 3.791 50 10 EHCARM CCCCc1ccc(-n2c(C)cc(/C=C3\NC(=O)[N-]C3=O)c2C)cc1 ZINC000002076178 563421763 /nfs/dbraw/zinc/42/17/63/563421763.db2.gz NQTHJHMWHZVXDL-PDGQHHTCSA-N -1 0 337.423 3.617 50 10 EHCARM Cc1[nH]c2ccc(NC=C3C(=O)N(c4ccc(F)cc4)N=C3C)cc2[nH+]1 ZINC000004852177 563992072 /nfs/dbraw/zinc/99/20/72/563992072.db2.gz XQHPMSCUDIVDPY-YBEGLDIGSA-N -1 0 349.369 3.729 50 10 EHCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S ZINC000001791194 564057664 /nfs/dbraw/zinc/05/76/64/564057664.db2.gz KJENGCMUGBOVLB-FIECFQFYSA-N -1 0 347.461 3.697 50 10 EHCARM Cc1nc(N)sc1-c1csc([N-]c2ccccc2[N+](=O)[O-])n1 ZINC000005063497 1042793881 /nfs/dbraw/zinc/79/38/81/1042793881.db2.gz BIUPPSDKPWNUJY-UHFFFAOYSA-N -1 0 333.398 3.809 50 10 EHCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S ZINC000006098082 563558941 /nfs/dbraw/zinc/55/89/41/563558941.db2.gz GGKRDSVPAHFGQP-GMROUXNLSA-N -1 0 343.429 3.514 50 10 EHCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/C(C)=C\c2ccccc2)SC1=S ZINC000032701793 563691640 /nfs/dbraw/zinc/69/16/40/563691640.db2.gz KJENGCMUGBOVLB-YYTCZBFVSA-N -1 0 347.461 3.697 50 10 EHCARM O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 ZINC000000450852 563999783 /nfs/dbraw/zinc/99/97/83/563999783.db2.gz NIYDWUDKDCWRDV-ATVHPVEESA-N -1 0 348.333 3.547 50 10 EHCARM CCOC(=O)c1ccccc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100821565 564016872 /nfs/dbraw/zinc/01/68/72/564016872.db2.gz RSPGGRDGIPGHLT-GHRIWEEISA-N -1 0 349.390 3.582 50 10 EHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccco3)C2=O)cc1C ZINC000000450971 563320024 /nfs/dbraw/zinc/32/00/24/563320024.db2.gz ZRUZNXPVKAJDBM-FWPHUCDGSA-N -1 0 336.347 3.959 50 10 EHCARM Cc1ccc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3Cl)C2=O)o1 ZINC000002829932 563453273 /nfs/dbraw/zinc/45/32/73/563453273.db2.gz QLYYBGQYQIWCTK-MDWZMJQESA-N -1 0 344.754 3.744 50 10 EHCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CC=Cc1ccco1 ZINC000015659246 564070264 /nfs/dbraw/zinc/07/02/64/564070264.db2.gz SRULBCQLTDESEP-NQDFZQDQSA-N -1 0 342.738 3.996 50 10 EHCARM Nc1[n-]n2c(nc3c(c2=O)CCCC3)c1N=Nc1cccc(Cl)c1 ZINC000334159076 564148895 /nfs/dbraw/zinc/14/88/95/564148895.db2.gz PGHYUTLTNRIKFS-UHFFFAOYSA-N -1 0 342.790 3.552 50 10 EHCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccccc1 ZINC000012412904 211372731 /nfs/dbraw/zinc/37/27/31/211372731.db2.gz OXRQDOKWGLWLCH-ZROIWOOFSA-N -1 0 340.766 3.844 50 10 EHCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1cccs1 ZINC000012412797 211371942 /nfs/dbraw/zinc/37/19/42/211371942.db2.gz IPGORUFBIQIASW-WQLSENKSSA-N -1 0 346.795 3.906 50 10 EHCARM CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1 ZINC000012381645 211362376 /nfs/dbraw/zinc/36/23/76/211362376.db2.gz MYYCKVZMZUBXMY-RAXLEYEMSA-N -1 0 349.477 3.660 50 10 EHCARM O=C([O-])CCN1C(=O)/C(=C\c2ccc3ccccc3c2)SC1=S ZINC000007166499 210764903 /nfs/dbraw/zinc/76/49/03/210764903.db2.gz IVRBGZJDVLBNRM-GXDHUFHOSA-N -1 0 343.429 3.516 50 10 EHCARM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1 ZINC000014255821 563755966 /nfs/dbraw/zinc/75/59/66/563755966.db2.gz NWPITUXQTFMUCW-LLVKDONJSA-N -1 0 331.397 3.537 50 10 EHCARM O=C1N=C(NC2CCCCC2)SC1=Cc1ccc([O-])c(Cl)c1 ZINC000060132648 563802881 /nfs/dbraw/zinc/80/28/81/563802881.db2.gz BVPYROYPHLNTMZ-ZROIWOOFSA-N -1 0 336.844 3.938 50 10 EHCARM Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)o1 ZINC000001834379 564088807 /nfs/dbraw/zinc/08/88/07/564088807.db2.gz OULBZXOVSXVVQR-JYRVWZFOSA-N -1 0 330.727 3.748 50 10 EHCARM COC(=O)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)cc1 ZINC000002621727 209874267 /nfs/dbraw/zinc/87/42/67/209874267.db2.gz RMPRYRFAYKRHCQ-UHFFFAOYSA-N -1 0 349.386 3.948 50 10 EHCARM Cc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)o1 ZINC000013774429 563722509 /nfs/dbraw/zinc/72/25/09/563722509.db2.gz WDONBDOGYNMDAI-LCYFTJDESA-N -1 0 326.377 3.568 50 10 EHCARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(Cl)cn1 ZINC000015930695 563800120 /nfs/dbraw/zinc/80/01/20/563800120.db2.gz XLQBFYGUFASCNG-ZROIWOOFSA-N -1 0 330.750 3.593 50 10 EHCARM Cc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)s1 ZINC000017161444 563839224 /nfs/dbraw/zinc/83/92/24/563839224.db2.gz KXFOCXRVKPGLHA-JYRVWZFOSA-N -1 0 346.408 3.867 50 10 EHCARM Cc1c(Cl)c([O-])c(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000000084073 563974833 /nfs/dbraw/zinc/97/48/33/563974833.db2.gz CTEGHEYASQRVMN-UHFFFAOYSA-N -1 0 332.208 3.808 50 10 EHCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccs1 ZINC000000228770 563996629 /nfs/dbraw/zinc/99/66/29/563996629.db2.gz GMHAQSRSMYJKPB-JXMROGBWSA-N -1 0 339.203 3.516 50 10 EHCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000001255091 564062765 /nfs/dbraw/zinc/06/27/65/564062765.db2.gz QHTXHOWMEWCNTQ-CIQFUVQNSA-N -1 0 347.461 3.553 50 10 EHCARM O=c1[nH]n(C2CCCC2)c2nc3c(cc12)oc1c3ccc(O)c1[O-] ZINC000095477179 564141486 /nfs/dbraw/zinc/14/14/86/564141486.db2.gz NLEYWWPEFIVCFP-UHFFFAOYSA-N -1 0 325.324 3.563 50 10 EHCARM O=S(=O)([N-]c1nc(-c2ccc(F)cc2)cs1)c1cccs1 ZINC000002662924 564152053 /nfs/dbraw/zinc/15/20/53/564152053.db2.gz VGJKNTIPNFCZRD-UHFFFAOYSA-N -1 0 340.426 3.812 50 10 EHCARM Cc1ccsc1C=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000056658725 132197838 /nfs/dbraw/zinc/19/78/38/132197838.db2.gz JBYQAWSXDKKGNA-XFXZXTDPSA-N -1 0 328.418 3.728 50 10 EHCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1 ZINC000000966965 563366419 /nfs/dbraw/zinc/36/64/19/563366419.db2.gz ZXNFVGYFPHSNJJ-ZROIWOOFSA-N -1 0 341.413 3.791 50 10 EHCARM COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(O)cc2)cc1 ZINC000000199905 563988270 /nfs/dbraw/zinc/98/82/70/563988270.db2.gz NIFANDXEDSJZOR-UHFFFAOYSA-N -1 0 337.375 3.876 50 10 EHCARM Cc1cccc(N2C(=O)C(=CC=Cc3ccco3)C(=O)[N-]C2=S)c1 ZINC000000441021 1032757863 /nfs/dbraw/zinc/75/78/63/1032757863.db2.gz QQCAGPSNCMURMM-UVDQGBRZSA-N -1 0 338.388 3.816 50 10 EHCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc2cccnc21 ZINC000100148681 219092194 /nfs/dbraw/zinc/09/21/94/219092194.db2.gz YCKJSBRWSBGEJP-GHRIWEEISA-N -1 0 328.375 3.953 50 10 EHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CC=CNc1ccccc1 ZINC000008974095 211023684 /nfs/dbraw/zinc/02/36/84/211023684.db2.gz PWHCUBSAHHFKLU-GLKBESIRSA-N -1 0 333.347 3.662 50 10 EHCARM Cc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)s1 ZINC000001250704 564062716 /nfs/dbraw/zinc/06/27/16/564062716.db2.gz KXFOCXRVKPGLHA-MDWZMJQESA-N -1 0 346.408 3.867 50 10 in-vitro EHCARM CC(=O)Nc1ccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000252599463 564121139 /nfs/dbraw/zinc/12/11/39/564121139.db2.gz DJNOIDGQRCWGSS-KRWDZBQOSA-N -1 0 335.367 3.520 50 10 EHCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cc(-c2ccccc2)n[nH]1 ZINC000252640410 564124635 /nfs/dbraw/zinc/12/46/35/564124635.db2.gz YTIFJWOFZHKNJD-GOSISDBHSA-N -1 0 344.378 3.952 50 10 EHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000021670093 212238659 /nfs/dbraw/zinc/23/86/59/212238659.db2.gz UGHYDYJIWDHSBQ-ATVHPVEESA-N -1 0 349.390 3.568 50 10 EHCARM O=C([O-])[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Cl)cc3c2N1C[C@@H]1CC=C[C@@H]31 ZINC000169682593 564017177 /nfs/dbraw/zinc/01/71/77/564017177.db2.gz XIFMNZHDPSPECA-IBDZOAASSA-N -1 0 327.811 3.946 50 10 EHCARM COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000004450140 210193773 /nfs/dbraw/zinc/19/37/73/210193773.db2.gz GJGGLGFZQPLXPH-GJYPPUQNSA-N -1 0 349.386 3.998 50 10 EHCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=CC=Cc2ccccc2)C1=O ZINC000008972011 211023821 /nfs/dbraw/zinc/02/38/21/211023821.db2.gz QPXDYLZDZWFMHL-XGQUATGFSA-N -1 0 348.358 3.758 50 10 EHCARM CC1=CC(=C2SC(=S)NC2=O)C=C(C)N1CCc1ccccc1 ZINC000685944445 564051392 /nfs/dbraw/zinc/05/13/92/564051392.db2.gz MMXOFMTXGNCHFJ-UHFFFAOYSA-N -1 0 342.489 3.754 50 10 EHCARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Cl)cn1 ZINC000095481263 564141569 /nfs/dbraw/zinc/14/15/69/564141569.db2.gz MIKKEJRZYOZEPX-XNTDXEJSSA-N -1 0 326.787 3.762 50 10 EHCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000009058715 564168719 /nfs/dbraw/zinc/16/87/19/564168719.db2.gz JUROALIXSCBFKT-DHDCSXOGSA-N -1 0 349.321 3.814 50 10 EHCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)c1 ZINC000038188783 132396699 /nfs/dbraw/zinc/39/66/99/132396699.db2.gz GQTFFEZMTJLLSK-YBEGLDIGSA-N -1 0 336.347 3.516 50 10 EHCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(C)C2=O)c(C)n1C1CCCCC1 ZINC000057462792 563935549 /nfs/dbraw/zinc/93/55/49/563935549.db2.gz FFNJEHIGASESHJ-XNTDXEJSSA-N -1 0 329.400 3.542 50 10 EHCARM O=C(c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000018257922 564019057 /nfs/dbraw/zinc/01/90/57/564019057.db2.gz CKAIVQMEECSYSI-UHFFFAOYSA-N -1 0 337.400 3.718 50 10 EHCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S ZINC000006355982 564085301 /nfs/dbraw/zinc/08/53/01/564085301.db2.gz KJENGCMUGBOVLB-JMMZPACASA-N -1 0 347.461 3.697 50 10 EHCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cc(-c2ccccc2)n[nH]1 ZINC000252640411 564124637 /nfs/dbraw/zinc/12/46/37/564124637.db2.gz YTIFJWOFZHKNJD-SFHVURJKSA-N -1 0 344.378 3.952 50 10 EHCARM CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cccc(C(=O)[O-])c1 ZINC000100041150 219088884 /nfs/dbraw/zinc/08/88/84/219088884.db2.gz SAJLYNWOIPSCCE-WOJGMQOQSA-N -1 0 349.390 3.720 50 10 EHCARM COc1ccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)c(OC)c1 ZINC000100402680 219098544 /nfs/dbraw/zinc/09/85/44/219098544.db2.gz BDPUFQZQVPHSCM-NHKNDPDJSA-N -1 0 338.367 3.579 50 10 EHCARM O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1Cl ZINC000035325372 213021563 /nfs/dbraw/zinc/02/15/63/213021563.db2.gz ACQSZZCUSKXVAI-UHFFFAOYSA-N -1 0 341.150 3.537 50 10 EHCARM O=C([O-])c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000013476839 563699105 /nfs/dbraw/zinc/69/91/05/563699105.db2.gz CSANKXARFCLPQN-GXDHUFHOSA-N -1 0 341.413 3.791 50 10 EHCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3)C2=O)c1 ZINC000014011124 563735291 /nfs/dbraw/zinc/73/52/91/563735291.db2.gz PUSHQZYSDYSDSI-CVCOPPNTSA-N -1 0 346.386 3.526 50 10 EHCARM O=C([O-])c1cccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1 ZINC000033313621 563973603 /nfs/dbraw/zinc/97/36/03/563973603.db2.gz JSYFIMCBZAZWCV-UVTDQMKNSA-N -1 0 347.461 3.919 50 10 EHCARM Cc1ccccc1NC1=NC(=O)C(=Cc2ccc(C(=O)[O-])cc2)S1 ZINC000054005181 214211033 /nfs/dbraw/zinc/21/10/33/214211033.db2.gz PFDKLNSHIYWVBX-XNTDXEJSSA-N -1 0 338.388 3.776 50 10 EHCARM O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=Cc1ccco1 ZINC000008971727 211023609 /nfs/dbraw/zinc/02/36/09/211023609.db2.gz OYEWLNGOGRNHKM-PTNGSMBKSA-N -1 0 332.315 3.940 50 10 EHCARM Cc1ccc(N2C(=O)C(=CC=Cc3ccco3)C(=O)[N-]C2=S)cc1 ZINC000017137808 563838062 /nfs/dbraw/zinc/83/80/62/563838062.db2.gz CRWXIJZMYXMQLH-RPGBBNPCSA-N -1 0 338.388 3.816 50 10 EHCARM Cc1ccc(N=Nc2c(N)[n-]n3c2nc(-c2ccccc2)cc3=O)cc1 ZINC000095544155 563977585 /nfs/dbraw/zinc/97/75/85/563977585.db2.gz YWOULBHTULZKNF-GHVJWSGMSA-N -1 0 344.378 3.996 50 10 EHCARM O=C([O-])CC1(c2cccc3ccccc32)C(=O)c2ccccc2C1=O ZINC000000348437 563991521 /nfs/dbraw/zinc/99/15/21/563991521.db2.gz NUMXUAYQQJVRIH-UHFFFAOYSA-N -1 0 330.339 3.632 50 10 EHCARM COc1ccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)c(OC)c1 ZINC000100402687 219098555 /nfs/dbraw/zinc/09/85/55/219098555.db2.gz BDPUFQZQVPHSCM-NRTINQSCSA-N -1 0 338.367 3.579 50 10 EHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000000446811 563999639 /nfs/dbraw/zinc/99/96/39/563999639.db2.gz LDHFRDNVIHEQSL-SFQUDFHCSA-N -1 0 348.333 3.547 50 10 EHCARM Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000000361251 564074983 /nfs/dbraw/zinc/07/49/83/564074983.db2.gz LKXDNKFSHKMSPO-UHFFFAOYSA-N -1 0 332.208 3.808 50 10 EHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cccc(Cl)c1 ZINC000003209688 564155943 /nfs/dbraw/zinc/15/59/43/564155943.db2.gz AKAGEPANZPZATL-GXDHUFHOSA-N -1 0 326.739 3.847 50 10 EHCARM Nc1[n-]n2c(nc3c(c2=O)CCCC3)c1N=Nc1cccc(Cl)c1 ZINC000004649610 210237180 /nfs/dbraw/zinc/23/71/80/210237180.db2.gz PGHYUTLTNRIKFS-QZQOTICOSA-N -1 0 342.790 3.552 50 10 EHCARM CC(=O)Nc1ccc(-n2[n-]c(C)c(N=Nc3ccccc3)c2=O)cc1 ZINC000101504066 219128805 /nfs/dbraw/zinc/12/88/05/219128805.db2.gz CWPUTESRMBVLGF-SGRLSNSRSA-N -1 0 335.367 3.520 50 10 EHCARM O=C([O-])[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Cl)cc3c2N1C[C@H]1CC=C[C@@H]31 ZINC000013590510 563702862 /nfs/dbraw/zinc/70/28/62/563702862.db2.gz XIFMNZHDPSPECA-AXOAAPQKSA-N -1 0 327.811 3.946 50 10 EHCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\C=C\c1ccccc1 ZINC000008573253 564165793 /nfs/dbraw/zinc/16/57/93/564165793.db2.gz UULJYRGUMUVTHQ-BIMFAPAISA-N -1 0 332.359 3.747 50 10 EHCARM Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C1=NN[C@@H](c2ccccc2)C1 ZINC000012296683 211335299 /nfs/dbraw/zinc/33/52/99/211335299.db2.gz UWQBFNZVNWTMNH-OAHLLOKOSA-N -1 0 348.402 3.863 50 10 biogenic EHCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000008995498 211030403 /nfs/dbraw/zinc/03/04/03/211030403.db2.gz BTXWOQBYISISBP-LCYFTJDESA-N -1 0 349.321 3.814 50 10 EHCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000002276185 563428437 /nfs/dbraw/zinc/42/84/37/563428437.db2.gz JUROALIXSCBFKT-OQLLNIDSSA-N -1 0 349.321 3.814 50 10 EHCARM O=C([O-])CCCCCN1C(=O)/C(=C/[C@H]2CC=CCC2)SC1=S ZINC000002687970 563600792 /nfs/dbraw/zinc/60/07/92/563600792.db2.gz FQDCUPGGABZIJU-KLDSGFLGSA-N -1 0 339.482 3.732 50 10 EHCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccs2)C1=O ZINC000008742593 563638811 /nfs/dbraw/zinc/63/88/11/563638811.db2.gz MFWLOWFQJKSELK-JLHYYAGUSA-N -1 0 326.377 3.817 50 10 EHCARM O=c1[nH]n(C2CCCCC2)c2nc3c(cc12)oc1c3ccc(O)c1[O-] ZINC000095476234 564141457 /nfs/dbraw/zinc/14/14/57/564141457.db2.gz RISOAJDZHIDWIQ-UHFFFAOYSA-N -1 0 339.351 3.953 50 10 EHCARM Nc1[n-]n2c(nc3c(c2=O)CCCC3)c1N=Nc1ccc(Cl)cc1 ZINC000334159063 564148913 /nfs/dbraw/zinc/14/89/13/564148913.db2.gz VGCMKPYOWZXKRE-UHFFFAOYSA-N -1 0 342.790 3.552 50 10 EHCARM O=C([O-])CCN1C(=O)/C(=C/c2ccc3ccccc3c2)SC1=S ZINC000097990678 219066107 /nfs/dbraw/zinc/06/61/07/219066107.db2.gz IVRBGZJDVLBNRM-UVTDQMKNSA-N -1 0 343.429 3.516 50 10 EHCARM COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000004172141 210138735 /nfs/dbraw/zinc/13/87/35/210138735.db2.gz QNNQRBONDFMTCC-GJYPPUQNSA-N -1 0 349.386 3.998 50 10 EHCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000001870851 209801447 /nfs/dbraw/zinc/80/14/47/209801447.db2.gz VKTKWSLDTYYBER-PKNBQFBNSA-N -1 0 341.479 3.594 50 10 EHCARM CCN1C(=O)/C(=C\c2cc(Cl)c([O-])c(Cl)c2)SC1=S ZINC000004859756 210304868 /nfs/dbraw/zinc/30/48/68/210304868.db2.gz KSQICSADHFQXGX-WEVVVXLNSA-N -1 0 334.249 3.920 50 10 EHCARM O=S(=O)([N-]c1nc(-c2ccccc2)cs1)c1ccc(F)cc1 ZINC000000565111 564023357 /nfs/dbraw/zinc/02/33/57/564023357.db2.gz LXBFWMOXEHRLKL-UHFFFAOYSA-N -1 0 334.397 3.750 50 10 EHCARM CC(C)c1c2oc3c(ccc(O)c3[O-])c2nc2c1c(=O)[nH]n2C(C)C ZINC000085876571 564075147 /nfs/dbraw/zinc/07/51/47/564075147.db2.gz LXVQMTVRENZXOX-UHFFFAOYSA-N -1 0 341.367 3.740 50 10 biogenic EHCARM Cn1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000002181582 564120663 /nfs/dbraw/zinc/12/06/63/564120663.db2.gz IVMNCXYYMGVUKG-LFIBNONCSA-N -1 0 345.358 3.685 50 10 biogenic EHCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S ZINC000017268560 211961681 /nfs/dbraw/zinc/96/16/81/211961681.db2.gz KJENGCMUGBOVLB-SZZFVQSKSA-N -1 0 347.461 3.697 50 10 EHCARM Cc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(C)C)cc2)C1=O ZINC000002909641 563463109 /nfs/dbraw/zinc/46/31/09/563463109.db2.gz XITNSXOGLHXIML-LDADJPATSA-N -1 0 348.402 3.785 50 10 EHCARM Cc1cc(C)c(NC(=O)NCc2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000043150708 563854679 /nfs/dbraw/zinc/85/46/79/563854679.db2.gz PASHTVKJZZTRNZ-UHFFFAOYSA-N -1 0 329.356 3.547 50 10 EHCARM Cc1sc2[nH]c(-c3sc4ncccc4c3[O-])nc(=O)c2c1C ZINC000006585764 564092257 /nfs/dbraw/zinc/09/22/57/564092257.db2.gz DJVLECPJSWXAMJ-UHFFFAOYSA-N -1 0 329.406 3.584 50 10 EHCARM Cc1ccsc1C=C1C(=O)[N-]C(=S)N(c2cccc(F)c2)C1=O ZINC000056686097 132197668 /nfs/dbraw/zinc/19/76/68/132197668.db2.gz UIONZSKNKGJARM-WQLSENKSSA-N -1 0 346.408 3.867 50 10 EHCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)[nH]1 ZINC000034209369 132388265 /nfs/dbraw/zinc/38/82/65/132388265.db2.gz ZQVCYRZLDIMLIV-DHDCSXOGSA-N -1 0 339.420 3.612 50 10 EHCARM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000014256351 563756418 /nfs/dbraw/zinc/75/64/18/563756418.db2.gz YVYMOHLZVNNXKC-LLVKDONJSA-N -1 0 331.397 3.537 50 10 EHCARM O=C([O-])/C=C/c1ccc(-c2cccc3c2C(=O)c2ccccc2C3=O)o1 ZINC000584904514 564014476 /nfs/dbraw/zinc/01/44/76/564014476.db2.gz BYPYRNHGNUEFOB-PKNBQFBNSA-N -1 0 344.322 3.820 50 10 EHCARM Nc1ccc(Oc2cc(Cl)c(Cl)cc2S(=O)(=O)[O-])cc1 ZINC000019865740 564030670 /nfs/dbraw/zinc/03/06/70/564030670.db2.gz GVAGUKBVXXRGOU-UHFFFAOYSA-N -1 0 334.180 3.615 50 10 EHCARM COc1cc(C=C2SC(=S)NC2=O)ccc1OCCC(C)C ZINC000001029327 563369372 /nfs/dbraw/zinc/36/93/72/563369372.db2.gz MVXPTSXJQZNWLJ-NTEUORMPSA-N -1 0 337.466 3.609 50 10 EHCARM O=C1NC(=S)S/C1=C\c1c(Cl)cc(Cl)c([O-])c1Cl ZINC000015224350 563780406 /nfs/dbraw/zinc/78/04/06/563780406.db2.gz OYOHBBCZTILPIW-BHQIHCQQSA-N -1 0 340.640 3.841 50 10 EHCARM O=C([O-])[C@H]1Nc2ccc(C(=O)OC3CCCCC3)cc2[C@@H]2C=CC[C@H]21 ZINC000013147308 211530309 /nfs/dbraw/zinc/53/03/09/211530309.db2.gz ICOHVCVFOZOLOK-RKVPGOIHSA-N -1 0 341.407 3.715 50 10 EHCARM Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)o1 ZINC000033345272 563974712 /nfs/dbraw/zinc/97/47/12/563974712.db2.gz OULBZXOVSXVVQR-MDWZMJQESA-N -1 0 330.727 3.748 50 10 EHCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000001211076 564056633 /nfs/dbraw/zinc/05/66/33/564056633.db2.gz GGKRDSVPAHFGQP-ADVUTCEVSA-N -1 0 343.429 3.514 50 10 EHCARM COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000006721381 564096400 /nfs/dbraw/zinc/09/64/00/564096400.db2.gz GJGGLGFZQPLXPH-GPMSIDNRSA-N -1 0 349.386 3.998 50 10 EHCARM COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000006721379 564096404 /nfs/dbraw/zinc/09/64/04/564096404.db2.gz GJGGLGFZQPLXPH-JTDSTZFVSA-N -1 0 349.386 3.998 50 10 EHCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=Cc1ccc(Cl)cc1 ZINC000009046190 564168655 /nfs/dbraw/zinc/16/86/55/564168655.db2.gz QJQDAGSWOQCYLX-XFXZXTDPSA-N -1 0 344.729 3.986 50 10 EHCARM CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccs2)SC1=S ZINC000004745686 210266961 /nfs/dbraw/zinc/26/69/61/210266961.db2.gz CMEZJBQFAUUVPY-NGPGYTDTSA-N -1 0 341.479 3.593 50 10 EHCARM O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1cc(Cl)sc1Cl ZINC000035286721 213018726 /nfs/dbraw/zinc/01/87/26/213018726.db2.gz KWQOHHPLHWNIHN-UHFFFAOYSA-N -1 0 347.179 3.599 50 10 EHCARM CCOC(=O)c1ccccc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000005024173 210365560 /nfs/dbraw/zinc/36/55/60/210365560.db2.gz RSPGGRDGIPGHLT-LGMDPLHJSA-N -1 0 349.390 3.582 50 10 EHCARM COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000023549747 563866903 /nfs/dbraw/zinc/86/69/03/563866903.db2.gz ZMTNTLOFUPYDEK-PTNGSMBKSA-N -1 0 336.347 3.510 50 10 EHCARM O=S(=O)([N-]c1nc(-c2ccc(F)cc2)cs1)c1ccccc1 ZINC000004644972 210237045 /nfs/dbraw/zinc/23/70/45/210237045.db2.gz VYIGGXADXOLNAD-UHFFFAOYSA-N -1 0 334.397 3.750 50 10 EHCARM COC(=O)c1cccc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000004172095 210139067 /nfs/dbraw/zinc/13/90/67/210139067.db2.gz AWLTWPHKRLCZJX-VKJFTORMSA-N -1 0 349.386 3.998 50 10 EHCARM CC(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000000455121 563323535 /nfs/dbraw/zinc/32/35/35/563323535.db2.gz UMDUVXFLNKMQSQ-ATVHPVEESA-N -1 0 340.423 3.605 50 10 EHCARM O=C([O-])CCCCCN1C(=O)/C(=C/[C@@H]2CC=CCC2)SC1=S ZINC000002687973 563600815 /nfs/dbraw/zinc/60/08/15/563600815.db2.gz FQDCUPGGABZIJU-NPRUJURCSA-N -1 0 339.482 3.732 50 10 EHCARM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000004170679 564160975 /nfs/dbraw/zinc/16/09/75/564160975.db2.gz WIYPPKPLHLWCFV-OVCLIPMQSA-N -1 0 349.321 3.814 50 10 EHCARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccsc3)SC2=S)c1 ZINC000032790078 1122109841 /nfs/dbraw/zinc/10/98/41/1122109841.db2.gz IYPQFMGXRUVGIG-WUXMJOGZSA-N -1 0 347.442 3.852 50 10 EHCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1cccs1 ZINC000100077633 219090773 /nfs/dbraw/zinc/09/07/73/219090773.db2.gz IPGORUFBIQIASW-XYOKQWHBSA-N -1 0 346.795 3.906 50 10 EHCARM CC(C)c1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000004425610 210190765 /nfs/dbraw/zinc/19/07/65/210190765.db2.gz VJYFDUMPUKFDCD-GXDHUFHOSA-N -1 0 349.477 3.876 50 10 EHCARM CN1C(=O)[N-]C(=O)C(=Cc2c3ccccc3cc3ccccc32)C1=O ZINC000008971586 211024210 /nfs/dbraw/zinc/02/42/10/211024210.db2.gz BHDMKTJUZFKLQH-GZTJUZNOSA-N -1 0 330.343 3.925 50 10 EHCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=Cc1cccs1 ZINC000002290197 564130554 /nfs/dbraw/zinc/13/05/54/564130554.db2.gz ZRBPFRLPQKSRGL-SDNWHVSQSA-N -1 0 330.409 3.941 50 10 EHCARM O=S(=O)([N-]c1nc2c(s1)CCc1ccccc1-2)c1cccs1 ZINC000057689209 564155488 /nfs/dbraw/zinc/15/54/88/564155488.db2.gz UVMHYILQLRRPNY-UHFFFAOYSA-N -1 0 348.474 3.771 50 10 EHCARM Nc1[n-]n2c(nc3c(c2=O)CCCC3)c1N=Nc1ccc(Cl)cc1 ZINC000103674929 219319892 /nfs/dbraw/zinc/31/98/92/219319892.db2.gz VGCMKPYOWZXKRE-QZQOTICOSA-N -1 0 342.790 3.552 50 10 EHCARM O=c1oc2c(cc(Cl)c([O-])c2CNc2ccccn2)c2c1CCC2 ZINC000020591322 212149739 /nfs/dbraw/zinc/14/97/39/212149739.db2.gz DZMSCOKLBCQRTR-UHFFFAOYSA-N -1 0 342.782 3.648 50 10 EHCARM CC1(C)Cc2c(cc(CC(=O)[O-])n2-c2ccc(Cl)cc2)C(=O)C1 ZINC000009423365 211082455 /nfs/dbraw/zinc/08/24/55/211082455.db2.gz BJFZIGNYXPRJIU-UHFFFAOYSA-N -1 0 331.799 3.913 50 10 EHCARM O=C([O-])CCc1ccc(-c2ccccc2)n1CC(=O)Nc1ccccc1 ZINC000004784040 210276543 /nfs/dbraw/zinc/27/65/43/210276543.db2.gz WEQKDPGAMXVOTM-UHFFFAOYSA-N -1 0 348.402 3.811 50 10 EHCARM Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000013809693 563934974 /nfs/dbraw/zinc/93/49/74/563934974.db2.gz DKMZFJUWHVLJGF-BOPFTXTBSA-N -1 0 337.423 3.572 50 10 EHCARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000002868037 564152892 /nfs/dbraw/zinc/15/28/92/564152892.db2.gz VHLGWRGGRRBAQJ-AQTBWJFISA-N -1 0 348.402 3.634 50 10 EHCARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(C(N)=O)cc2)cc1 ZINC000000529093 209650524 /nfs/dbraw/zinc/65/05/24/209650524.db2.gz UGXMGPFCNOPGTN-UHFFFAOYSA-N -1 0 348.402 3.569 50 10 EHCARM Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C1=NN[C@H](c2ccccc2)C1 ZINC000012296684 211334816 /nfs/dbraw/zinc/33/48/16/211334816.db2.gz UWQBFNZVNWTMNH-HNNXBMFYSA-N -1 0 348.402 3.863 50 10 biogenic EHCARM CCCc1cc(=O)oc2cc(OCc3cc(C(=O)[O-])oc3C)ccc12 ZINC000000319084 564090501 /nfs/dbraw/zinc/09/05/01/564090501.db2.gz OQBSCTPZFDQQEF-UHFFFAOYSA-N -1 0 342.347 3.924 50 10 biogenic EHCARM Cc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)s1 ZINC000000459320 564000611 /nfs/dbraw/zinc/00/06/11/564000611.db2.gz ZRHCTPGBIWNRSG-DHZHZOJOSA-N -1 0 346.408 3.867 50 10 EHCARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cccc([N+](=O)[O-])c1 ZINC000095471589 564141298 /nfs/dbraw/zinc/14/12/98/564141298.db2.gz AXPCAVDNLSZCCY-GZTJUZNOSA-N -1 0 336.351 3.622 50 10 EHCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\C=C\c1ccccc1 ZINC000012412809 211373546 /nfs/dbraw/zinc/37/35/46/211373546.db2.gz KGRQDYPSOXAJLZ-WCTLISOUSA-N -1 0 332.359 3.747 50 10 EHCARM O=C([O-])CCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000001220166 563379772 /nfs/dbraw/zinc/37/97/72/563379772.db2.gz SQKGWDGLNOGDIA-UVTDQMKNSA-N -1 0 343.429 3.516 50 10 EHCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000100147589 563983990 /nfs/dbraw/zinc/98/39/90/563983990.db2.gz MYWPOPCUGRJXFC-LICLKQGHSA-N -1 0 345.358 3.672 50 10 EHCARM Cc1ccc(N=Nc2c(N)[n-]n3c2nc(-c2ccccc2)cc3=O)cc1 ZINC000334159090 564148929 /nfs/dbraw/zinc/14/89/29/564148929.db2.gz YWOULBHTULZKNF-UHFFFAOYSA-N -1 0 344.378 3.996 50 10 EHCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000004391734 210186151 /nfs/dbraw/zinc/18/61/51/210186151.db2.gz QHTXHOWMEWCNTQ-SNAVUQBVSA-N -1 0 347.461 3.553 50 10 EHCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cc(-c2ccccc2)n[nH]1 ZINC000102572082 219211329 /nfs/dbraw/zinc/21/13/29/219211329.db2.gz YTIFJWOFZHKNJD-CCWVLBSLSA-N -1 0 344.378 3.952 50 10 EHCARM Cc1cc2c(n1-c1ccc(C)cc1)CCC(C(=O)C(F)(F)F)=C2[O-] ZINC000003268650 209994306 /nfs/dbraw/zinc/99/43/06/209994306.db2.gz HVIQSCXRCNULEX-ZDUSSCGKSA-N -1 0 335.325 3.971 50 10 EHCARM O=C1N[C@@H](c2cc(Cl)cc(Cl)c2[O-])Nc2cccc(F)c21 ZINC000000166914 563249669 /nfs/dbraw/zinc/24/96/69/563249669.db2.gz YHWLFYGVRUSVID-ZDUSSCGKSA-N -1 0 327.142 3.692 50 10 EHCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000000975584 563366705 /nfs/dbraw/zinc/36/67/05/563366705.db2.gz PHBZBJSIYNXUGX-WQLSENKSSA-N -1 0 347.442 3.852 50 10 EHCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000001774373 563410927 /nfs/dbraw/zinc/41/09/27/563410927.db2.gz HJGHAHOKZBWVGK-UVTDQMKNSA-N -1 0 341.413 3.791 50 10 EHCARM Cc1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)N(C(C)(C)C)C1=O ZINC000017029086 563829386 /nfs/dbraw/zinc/82/93/86/563829386.db2.gz GSACEOBBACKBKD-UKTHLTGXSA-N -1 0 325.368 3.577 50 10 EHCARM Cc1ccc(NC(=O)c2[nH]cnc2NN=C2C=CC(=O)C=C2[O-])cc1 ZINC000006025267 564057677 /nfs/dbraw/zinc/05/76/77/564057677.db2.gz KYGWFLYLXUZESK-QURGRASLSA-N -1 0 337.339 3.797 50 10 EHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2F)o1 ZINC000000094257 209416092 /nfs/dbraw/zinc/41/60/92/209416092.db2.gz KCKHVSPERCRBOU-FOWTUZBSSA-N -1 0 348.333 3.547 50 10 EHCARM COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cccc(O)c2)cc1 ZINC000000031871 258047362 /nfs/dbraw/zinc/04/73/62/258047362.db2.gz RNRFGTPQENBEFF-UHFFFAOYSA-N -1 0 337.375 3.876 50 10 EHCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1cccs1 ZINC000001252573 564062773 /nfs/dbraw/zinc/06/27/73/564062773.db2.gz KYGARRWPJBIUGI-WQLSENKSSA-N -1 0 332.381 3.559 50 10 EHCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1ccccc1 ZINC000100147545 1130502915 /nfs/dbraw/zinc/50/29/15/1130502915.db2.gz OXRQDOKWGLWLCH-NTEUORMPSA-N -1 0 340.766 3.844 50 10 EHCARM CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccs2)SC1=S ZINC000004745688 210267786 /nfs/dbraw/zinc/26/77/86/210267786.db2.gz CMEZJBQFAUUVPY-MXBGMFSPSA-N -1 0 341.479 3.593 50 10 EHCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CC=CNc1ccccc1 ZINC000008974448 211024691 /nfs/dbraw/zinc/02/46/91/211024691.db2.gz NNXGQDINDLKSCB-MUZUHFIMSA-N -1 0 347.374 3.658 50 10 EHCARM O=C([O-])c1cc(O)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000004826767 210288891 /nfs/dbraw/zinc/28/88/91/210288891.db2.gz HLHRDMFBPTZTPM-UHFFFAOYSA-N -1 0 326.135 3.650 50 10 EHCARM Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)o1 ZINC000017056740 563830354 /nfs/dbraw/zinc/83/03/54/563830354.db2.gz BLPAGSIBNRPHDG-MHWRWJLKSA-N -1 0 338.363 3.582 50 10 EHCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(C)s2)C1=O ZINC000017027903 564116210 /nfs/dbraw/zinc/11/62/10/564116210.db2.gz QALOKZHJOKYOGG-FMIVXFBMSA-N -1 0 342.376 3.572 50 10 EHCARM [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(CO)c(F)c1 ZINC000071792557 564175336 /nfs/dbraw/zinc/17/53/36/564175336.db2.gz AANWLHNIFSOQPQ-UHFFFAOYSA-N -1 0 330.186 3.620 50 10 EHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc(F)c2)o1 ZINC000033285985 563972941 /nfs/dbraw/zinc/97/29/41/563972941.db2.gz RPRVTMMOEZIAQY-ATVHPVEESA-N -1 0 348.333 3.547 50 10 EHCARM CCn1cc(C=C2C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)c2ccccc21 ZINC000002263449 564125361 /nfs/dbraw/zinc/12/53/61/564125361.db2.gz PGQGQQDERZHKLX-GXDHUFHOSA-N -1 0 339.395 3.762 50 10 EHCARM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)c1 ZINC000008770601 564167383 /nfs/dbraw/zinc/16/73/83/564167383.db2.gz MWNNJIZVIVFQCF-UKTHLTGXSA-N -1 0 326.377 3.872 50 10 EHCARM CCOC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000055292181 214303346 /nfs/dbraw/zinc/30/33/46/214303346.db2.gz RBIRNMUNSJIRKD-ZDUSSCGKSA-N -1 0 332.227 3.617 50 10 EHCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C\C(C)=C/c2ccccc2)SC1=S ZINC000038200564 213204621 /nfs/dbraw/zinc/20/46/21/213204621.db2.gz KJENGCMUGBOVLB-GVZARNNLSA-N -1 0 347.461 3.697 50 10 EHCARM Cc1cccc(N2C(=O)C(=CC=Cc3ccco3)C(=O)[N-]C2=S)c1 ZINC000013775285 563722983 /nfs/dbraw/zinc/72/29/83/563722983.db2.gz QQCAGPSNCMURMM-ZFBSGXTPSA-N -1 0 338.388 3.816 50 10 EHCARM Cc1ccc(Cl)cc1NC(=O)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000043357367 563864908 /nfs/dbraw/zinc/86/49/08/563864908.db2.gz SSPZQEORRVYSGE-UHFFFAOYSA-N -1 0 335.747 3.584 50 10 EHCARM O=C([O-])c1cccc(NC2=NC(=O)C(=Cc3cccs3)S2)c1 ZINC000028296975 563902247 /nfs/dbraw/zinc/90/22/47/563902247.db2.gz LLCBZGIQNIYTSJ-XYOKQWHBSA-N -1 0 330.390 3.529 50 10 EHCARM COCCn1c(C)cc(C(=O)c2sc3ccccc3c2[O-])c1C ZINC000012759458 564067294 /nfs/dbraw/zinc/06/72/94/564067294.db2.gz YJZSLVVQQGCHQF-UHFFFAOYSA-N -1 0 329.421 3.903 50 10 EHCARM O=C1C=CC(=NNc2ccc(S(=O)(=O)[O-])cc2)c2cccnc21 ZINC000004707421 210254912 /nfs/dbraw/zinc/25/49/12/210254912.db2.gz JIAGGSRRAAHALT-ISLYRVAYSA-N -1 0 329.337 3.603 50 10 EHCARM O=C([O-])[C@@H]1Nc2ccc(C(=O)OC3CCCCC3)cc2[C@@H]2C=CC[C@H]21 ZINC000004035566 210105907 /nfs/dbraw/zinc/10/59/07/210105907.db2.gz ICOHVCVFOZOLOK-IIDMSEBBSA-N -1 0 341.407 3.715 50 10 EHCARM [O-]c1c2oc3c(nc4n[nH]cc4c3-c3cccc(O)c3)c2ccc1O ZINC000217676188 241268210 /nfs/dbraw/zinc/26/82/10/241268210.db2.gz GGXAPGNFXPGHFF-UHFFFAOYSA-N -1 0 333.303 3.641 50 10 biogenic EHCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3)C2=O)c1 ZINC000000179573 135646438 /nfs/dbraw/zinc/64/64/38/135646438.db2.gz PUSHQZYSDYSDSI-XICJKMHVSA-N -1 0 346.386 3.526 50 10 EHCARM Cc1ccccc1S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000000134751 563240032 /nfs/dbraw/zinc/24/00/32/563240032.db2.gz IFRPXRLXPYRTCA-UHFFFAOYSA-N -1 0 332.208 3.808 50 10 EHCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C/C(C)=C\c2ccccc2)SC1=S ZINC000032701795 563691744 /nfs/dbraw/zinc/69/17/44/563691744.db2.gz KJENGCMUGBOVLB-DSSAPLJDSA-N -1 0 347.461 3.697 50 10 EHCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000005173450 563999957 /nfs/dbraw/zinc/99/99/57/563999957.db2.gz ZFZSWPWVEPNLKQ-ZSOIEALJSA-N -1 0 347.201 3.763 50 10 EHCARM COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000004450142 210193317 /nfs/dbraw/zinc/19/33/17/210193317.db2.gz GJGGLGFZQPLXPH-MDZRGWNJSA-N -1 0 349.386 3.998 50 10 EHCARM O=C([O-])CCCCCN1C(=O)/C(=C/C2CCCCC2)SC1=S ZINC000013586621 211586606 /nfs/dbraw/zinc/58/66/06/211586606.db2.gz KAKGWVUFKSBCSS-QBFSEMIESA-N -1 0 341.498 3.956 50 10 EHCARM O=C1N[C@H](c2cc(Cl)cc(Cl)c2[O-])Nc2cccc(F)c21 ZINC000000166917 563249632 /nfs/dbraw/zinc/24/96/32/563249632.db2.gz YHWLFYGVRUSVID-CYBMUJFWSA-N -1 0 327.142 3.692 50 10 EHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccsc3)C2=O)cc1C ZINC000000450967 563320006 /nfs/dbraw/zinc/32/00/06/563320006.db2.gz ZMCVZIPHWDDWGM-RIYZIHGNSA-N -1 0 326.377 3.872 50 10 EHCARM Cc1c(/C=C2\NC(=O)[N-]C2=O)cc(-c2ccccc2)n1-c1ccccc1 ZINC000015822540 563916867 /nfs/dbraw/zinc/91/68/67/563916867.db2.gz PPIJWWBQXSRUGS-PDGQHHTCSA-N -1 0 343.386 3.633 50 10 EHCARM Cc1[n-]n(-c2ccccc2C)c(=O)c1C=Nc1cccc([N+](=O)[O-])c1 ZINC000005730815 564024581 /nfs/dbraw/zinc/02/45/81/564024581.db2.gz MTPJQUHPIFVHOI-LFIBNONCSA-N -1 0 336.351 3.622 50 10 EHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccco3)C2=O)cc1Cl ZINC000008738315 563638299 /nfs/dbraw/zinc/63/82/99/563638299.db2.gz YENSSQXGEPJOGY-WQLSENKSSA-N -1 0 330.727 3.748 50 10 EHCARM Cc1cc2c(n1-c1ccc(F)cc1)CCC(C(=O)C(F)(F)F)=C2[O-] ZINC000102160529 564019873 /nfs/dbraw/zinc/01/98/73/564019873.db2.gz OLBCHBVTUMADJP-GFCCVEGCSA-N -1 0 339.288 3.801 50 10 EHCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000012412817 211373286 /nfs/dbraw/zinc/37/32/86/211373286.db2.gz MYWPOPCUGRJXFC-YVLHZVERSA-N -1 0 345.358 3.672 50 10 EHCARM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000014256352 563756488 /nfs/dbraw/zinc/75/64/88/563756488.db2.gz YVYMOHLZVNNXKC-NSHDSACASA-N -1 0 331.397 3.537 50 10 EHCARM CC(=O)Nc1ccc(-n2[n-]c(C)c(N=Nc3ccccc3)c2=O)cc1 ZINC000101504067 219129349 /nfs/dbraw/zinc/12/93/49/219129349.db2.gz CWPUTESRMBVLGF-UAFUQJIBSA-N -1 0 335.367 3.520 50 10 EHCARM O=C([O-])c1ccc2c(c1Nc1ccccc1)C(=O)c1ccccc1C2=O ZINC000003898665 210088137 /nfs/dbraw/zinc/08/81/37/210088137.db2.gz GNYBNEOJUARKPW-UHFFFAOYSA-N -1 0 343.338 3.904 50 10 EHCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c[nH]c3ccccc23)C1=O ZINC000001244727 563381226 /nfs/dbraw/zinc/38/12/26/563381226.db2.gz WBFHMURCQDFESS-XNTDXEJSSA-N -1 0 345.358 3.983 50 10 biogenic EHCARM COc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000000193552 564012195 /nfs/dbraw/zinc/01/21/95/564012195.db2.gz CBUCHYZOTNTXHB-UHFFFAOYSA-N -1 0 348.207 3.508 50 10 EHCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\C=C/c1ccccc1 ZINC000013124908 564136017 /nfs/dbraw/zinc/13/60/17/564136017.db2.gz UULJYRGUMUVTHQ-JVHYXRFZSA-N -1 0 332.359 3.747 50 10 EHCARM COC(=O)c1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccccc1 ZINC000000095940 209417180 /nfs/dbraw/zinc/41/71/80/209417180.db2.gz CZVMJZSSGHFUMA-UHFFFAOYSA-N -1 0 349.386 3.948 50 10 EHCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)cc1 ZINC000000111040 563229907 /nfs/dbraw/zinc/22/99/07/563229907.db2.gz COIAMQBDCKRMBY-XNTDXEJSSA-N -1 0 340.404 3.538 50 10 EHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3)C2=O)cc1C ZINC000000451083 563320014 /nfs/dbraw/zinc/32/00/14/563320014.db2.gz WVQZRRRPBTZQAF-XICJKMHVSA-N -1 0 346.386 3.526 50 10 EHCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000002868002 563618570 /nfs/dbraw/zinc/61/85/70/563618570.db2.gz BTXWOQBYISISBP-UKTHLTGXSA-N -1 0 349.321 3.814 50 10 EHCARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Cl)cn1 ZINC000015134065 563778624 /nfs/dbraw/zinc/77/86/24/563778624.db2.gz MIKKEJRZYOZEPX-GDNBJRDFSA-N -1 0 326.787 3.762 50 10 EHCARM O=C1N=C(NC2CCCCC2)SC1=Cc1ccc([O-])c(Cl)c1 ZINC000096134085 564145765 /nfs/dbraw/zinc/14/57/65/564145765.db2.gz BVPYROYPHLNTMZ-NTEUORMPSA-N -1 0 336.844 3.938 50 10 EHCARM O=C([O-])c1cc(O)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000004695726 210250732 /nfs/dbraw/zinc/25/07/32/210250732.db2.gz NBMZSCCCLAOHFR-UHFFFAOYSA-N -1 0 326.135 3.650 50 10 EHCARM O=C([O-])[C@@H]1Nc2ccc(C(=O)OC3CCCCC3)cc2[C@@H]2C=CC[C@@H]21 ZINC000004035564 210105761 /nfs/dbraw/zinc/10/57/61/210105761.db2.gz ICOHVCVFOZOLOK-RVKKMQEKSA-N -1 0 341.407 3.715 50 10 EHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccco3)C2=O)cc1 ZINC000009044834 563641529 /nfs/dbraw/zinc/64/15/29/563641529.db2.gz VEBQWOYTHCITLV-JLJGJNDSSA-N -1 0 336.347 3.905 50 10 EHCARM Cc1nc(N)sc1-c1csc(Nc2cccc(C(=O)[O-])c2)n1 ZINC000001895795 564089172 /nfs/dbraw/zinc/08/91/72/564089172.db2.gz WZXFOLPXUKAHBN-UHFFFAOYSA-N -1 0 332.410 3.599 50 10 EHCARM Nc1[n-]n2c(nc(-c3ccccc3)cc2=O)c1N=Nc1ccccc1F ZINC000004649656 210237363 /nfs/dbraw/zinc/23/73/63/210237363.db2.gz GOIHDGWFDBYIHD-GHVJWSGMSA-N -1 0 348.341 3.826 50 10 EHCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cc(-c2ccccc2)n[nH]1 ZINC000102572078 219210900 /nfs/dbraw/zinc/21/09/00/219210900.db2.gz YTIFJWOFZHKNJD-KGNHYALCSA-N -1 0 344.378 3.952 50 10 EHCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CC=CNc2ccccc2)C1=O ZINC000008974490 211024344 /nfs/dbraw/zinc/02/43/44/211024344.db2.gz CLXRCDAPFXURLT-JIHKRTNASA-N -1 0 347.374 3.970 50 10 EHCARM CC(=O)Nc1ccc(-n2[n-]c(C)c(N=Nc3ccccc3)c2=O)cc1 ZINC000252597955 519721161 /nfs/dbraw/zinc/72/11/61/519721161.db2.gz CWPUTESRMBVLGF-QGZVFWFLSA-N -1 0 335.367 3.520 50 10 EHCARM Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1 ZINC000000193791 564130168 /nfs/dbraw/zinc/13/01/68/564130168.db2.gz MLWXUOVWRAMXFK-UHFFFAOYSA-N -1 0 330.434 3.919 50 10 EHCARM Cc1ccccc1N1C(=O)C(=Cc2ccc(F)cc2)C(=O)[N-]C1=S ZINC000002289885 564130524 /nfs/dbraw/zinc/13/05/24/564130524.db2.gz QBGWQRJEBIHCTI-GXDHUFHOSA-N -1 0 340.379 3.806 50 10 EHCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CC=Cc1ccco1 ZINC000009317768 564172607 /nfs/dbraw/zinc/17/26/07/564172607.db2.gz OMIVNLCQFHKAKV-FMVMLBDOSA-N -1 0 342.738 3.996 50 10 EHCARM Cc1nc(C2(NCc3cc(Cl)cc(Cl)c3[O-])CCCC2)no1 ZINC000078394211 217046922 /nfs/dbraw/zinc/04/69/22/217046922.db2.gz SAHVXSSKFWEGBH-UHFFFAOYSA-N -1 0 342.226 3.950 50 10 EHCARM Cc1cc(C)cc(-n2c(CC(=O)[O-])cc3c2CC(C)(C)CC3=O)c1 ZINC000009423046 211083339 /nfs/dbraw/zinc/08/33/39/211083339.db2.gz FSRRDLDMBWIJHS-UHFFFAOYSA-N -1 0 325.408 3.876 50 10 EHCARM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(C)C2=O)o1 ZINC000004550407 563505012 /nfs/dbraw/zinc/50/50/12/563505012.db2.gz ANNVKJNNWWUKJB-ZSOIEALJSA-N -1 0 343.360 3.619 50 10 EHCARM COc1ccc(OC)c(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)c1 ZINC000102148380 219188017 /nfs/dbraw/zinc/18/80/17/219188017.db2.gz BVAXHYVDBBAHQS-NRTINQSCSA-N -1 0 338.367 3.579 50 10 EHCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S ZINC000005024824 210365799 /nfs/dbraw/zinc/36/57/99/210365799.db2.gz KJENGCMUGBOVLB-YEKWATDZSA-N -1 0 347.461 3.697 50 10 EHCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1cccs1 ZINC000001252572 563381685 /nfs/dbraw/zinc/38/16/85/563381685.db2.gz KYGARRWPJBIUGI-XYOKQWHBSA-N -1 0 332.381 3.559 50 10 EHCARM CC(=O)Nc1ccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000005730137 563547742 /nfs/dbraw/zinc/54/77/42/563547742.db2.gz DJNOIDGQRCWGSS-UAFUQJIBSA-N -1 0 335.367 3.520 50 10 EHCARM CCOC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000055292183 214302612 /nfs/dbraw/zinc/30/26/12/214302612.db2.gz RBIRNMUNSJIRKD-CYBMUJFWSA-N -1 0 332.227 3.617 50 10 EHCARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1 ZINC000100148943 219092747 /nfs/dbraw/zinc/09/27/47/219092747.db2.gz KTCBIEZBSUXWRM-BOPFTXTBSA-N -1 0 336.351 3.622 50 10 EHCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001870853 563415177 /nfs/dbraw/zinc/41/51/77/563415177.db2.gz VKTKWSLDTYYBER-LUAWRHEFSA-N -1 0 341.479 3.594 50 10 EHCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\C(C)=C/c2ccccc2)SC1=S ZINC000008659751 563634579 /nfs/dbraw/zinc/63/45/79/563634579.db2.gz KJENGCMUGBOVLB-KUAJRJNYSA-N -1 0 347.461 3.697 50 10 EHCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CC=CNc1ccccc1 ZINC000013784734 563933219 /nfs/dbraw/zinc/93/32/19/563933219.db2.gz OSRYKNIPVQQFFR-QDIIEIGVSA-N -1 0 349.415 3.827 50 10 EHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2F)o1 ZINC000033286283 564036660 /nfs/dbraw/zinc/03/66/60/564036660.db2.gz KCKHVSPERCRBOU-VBKFSLOCSA-N -1 0 348.333 3.547 50 10 EHCARM Cc1ccccc1N1C(=O)C(=CC=Cc2ccco2)C(=O)[N-]C1=S ZINC000033324234 564036688 /nfs/dbraw/zinc/03/66/88/564036688.db2.gz FWZDOGWMDZWIAL-DBBRDBGQSA-N -1 0 338.388 3.816 50 10 EHCARM Oc1ccc(Cl)cc1[C@@H]1C[C@H](c2ccccc2)n2ncnc2N1 ZINC000000389013 564082628 /nfs/dbraw/zinc/08/26/28/564082628.db2.gz NXPCCCKULPDFFU-LSDHHAIUSA-N -1 0 326.787 3.783 50 10 EHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)cc1 ZINC000000179659 563253718 /nfs/dbraw/zinc/25/37/18/563253718.db2.gz RMQVVMUOMBCJLD-LDADJPATSA-N -1 0 348.402 3.785 50 10 EHCARM Cc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1 ZINC000001766401 563409860 /nfs/dbraw/zinc/40/98/60/563409860.db2.gz ZIYCXWQWXZKZBN-SDNWHVSQSA-N -1 0 349.477 3.841 50 10 EHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)s3)C2=O)cc1 ZINC000000440886 563999622 /nfs/dbraw/zinc/99/96/22/563999622.db2.gz JUBIVLJMMPRADV-ZROIWOOFSA-N -1 0 342.376 3.572 50 10 EHCARM COC(=O)c1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)c1 ZINC000003634681 210069029 /nfs/dbraw/zinc/06/90/29/210069029.db2.gz JOZXVRPPOBUNQV-UHFFFAOYSA-N -1 0 349.386 3.948 50 10 EHCARM CC(C)c1ccc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1 ZINC000005481985 564004632 /nfs/dbraw/zinc/00/46/32/564004632.db2.gz FPWSMRWZXJITGM-LICLKQGHSA-N -1 0 340.810 3.925 50 10 EHCARM O=C(c1ccco1)c1coc2ccc([O-])c(C[NH+]3CCCCC3)c12 ZINC000252499794 564119726 /nfs/dbraw/zinc/11/97/26/564119726.db2.gz SENCIPMBXUEAET-UHFFFAOYSA-N -1 0 325.364 3.948 50 10 biogenic EHCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccsc3)SC2=S)cc1 ZINC000032789487 1122109575 /nfs/dbraw/zinc/10/95/75/1122109575.db2.gz QOOSRPDHBJDHPE-KPKJPENVSA-N -1 0 347.442 3.852 50 10 EHCARM CCOC(=O)c1ccc(NN=C2C=CC(=O)C(CC(=O)[O-])=C2)cc1 ZINC000003871910 210082198 /nfs/dbraw/zinc/08/21/98/210082198.db2.gz YYBSDOZYJSGLTH-VHEBQXMUSA-N -1 0 328.324 3.611 50 10 EHCARM CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)[N-]C3=O)c2C)cc1 ZINC000022239138 212285422 /nfs/dbraw/zinc/28/54/22/212285422.db2.gz NQTHJHMWHZVXDL-LDADJPATSA-N -1 0 337.423 3.617 50 10 EHCARM CC(C)c1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000013343530 211547977 /nfs/dbraw/zinc/54/79/77/211547977.db2.gz VJYFDUMPUKFDCD-UVTDQMKNSA-N -1 0 349.477 3.876 50 10 EHCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CC=Cc1ccccc1 ZINC000008995328 211029739 /nfs/dbraw/zinc/02/97/39/211029739.db2.gz RXXCIPADXRALFH-NHZNEZGNSA-N -1 0 336.322 3.889 50 10 EHCARM Cc1oc(C(=O)[O-])cc1COc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000000200934 563988336 /nfs/dbraw/zinc/98/83/36/563988336.db2.gz PCPAEDPPNSEWCQ-UHFFFAOYSA-N -1 0 342.347 3.897 50 10 biogenic EHCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cc(Cl)ccc1O ZINC000100148665 219092269 /nfs/dbraw/zinc/09/22/69/219092269.db2.gz LADWRCUTFSJRTG-UVTDQMKNSA-N -1 0 327.771 3.764 50 10 EHCARM CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cccc(C(=O)[O-])c1 ZINC000012462211 211388483 /nfs/dbraw/zinc/38/84/83/211388483.db2.gz SAJLYNWOIPSCCE-WQRHYEAKSA-N -1 0 349.390 3.720 50 10 EHCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c[nH]c3ccccc23)C1=O ZINC000017145587 563838514 /nfs/dbraw/zinc/83/85/14/563838514.db2.gz WBFHMURCQDFESS-GDNBJRDFSA-N -1 0 345.358 3.983 50 10 EHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccco3)C2=O)cc1 ZINC000000459262 564000615 /nfs/dbraw/zinc/00/06/15/564000615.db2.gz VEBQWOYTHCITLV-FWPHUCDGSA-N -1 0 336.347 3.905 50 10 EHCARM Cc1[n-]n(-c2ccccc2C)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000100984886 564017155 /nfs/dbraw/zinc/01/71/55/564017155.db2.gz SHAJLQUDPFZDQT-SDNWHVSQSA-N -1 0 336.351 3.622 50 10 EHCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/C=C/c1ccco1 ZINC000000462701 564116709 /nfs/dbraw/zinc/11/67/09/564116709.db2.gz YMACDADZSNWHCV-MPQOSVQESA-N -1 0 349.173 3.604 50 10 EHCARM