smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC)c([C@H](C(=O)[O-])N(C)Cc2noc(C3CC3)n2)c1 ZINC001506395812 1114595188 /nfs/dbraw/zinc/59/51/88/1114595188.db2.gz HSDFBVNZHGFXPO-OAHLLOKOSA-N -1 0 347.371 2.222 50 0 EEAARM CC(C)Cc1noc([C@H]2CCCN(Cc3nc(C(=O)[O-])co3)C2)n1 ZINC001529139299 1121336462 /nfs/dbraw/zinc/33/64/62/1121336462.db2.gz OZJDLWULNMNYQX-NSHDSACASA-N -1 0 334.376 2.334 50 0 EEAARM COc1ccc(-n2c(C)nc3ccc(OCC(=O)[O-])cc3c2=O)cc1 ZINC000012899354 201873929 /nfs/dbraw/zinc/87/39/29/201873929.db2.gz NKLOLAURIDRRQQ-UHFFFAOYSA-N -1 0 340.335 2.166 50 0 biogenic EEAARM CC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(C(=O)[O-])cc1 ZINC000013413127 201893025 /nfs/dbraw/zinc/89/30/25/201893025.db2.gz ACMKAORPAASULC-KRWDZBQOSA-N -1 0 341.363 2.080 50 0 EEAARM C[C@@H](NC(=O)c1c(C(=O)[O-])cnn1C)c1cccc(-n2cccc2)c1 ZINC000020614767 202051025 /nfs/dbraw/zinc/05/10/25/202051025.db2.gz BGEXWZMUNOHBFG-GFCCVEGCSA-N -1 0 338.367 2.400 50 0 EEAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000091793815 203075296 /nfs/dbraw/zinc/07/52/96/203075296.db2.gz BZHANPWPTQBZIQ-GOSISDBHSA-N -1 0 346.383 2.125 50 0 EEAARM COc1cccc(-c2ncc(CNC(=O)c3cc(=O)[nH][n-]3)s2)c1 ZINC000071497554 203099043 /nfs/dbraw/zinc/09/90/43/203099043.db2.gz BLDIBIZFMPZXMB-UHFFFAOYSA-N -1 0 330.369 2.177 50 0 EEAARM O=C([O-])c1cc(-c2cc[nH]n2)cc(S(=O)(=O)N2CCCCCC2)c1 ZINC000071681659 203101891 /nfs/dbraw/zinc/10/18/91/203101891.db2.gz QUPUPOKLRIUDQL-UHFFFAOYSA-N -1 0 349.412 2.340 50 0 EEAARM O=C([O-])C1(n2cccn2)CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000072474937 203231217 /nfs/dbraw/zinc/23/12/17/203231217.db2.gz HPGRVKUULVNRKG-UHFFFAOYSA-N -1 0 338.367 2.081 50 0 EEAARM CC[C@H](O)C1CCN(c2nccc(-c3cc(C(=O)[O-])ccn3)n2)CC1 ZINC000072474988 203231351 /nfs/dbraw/zinc/23/13/51/203231351.db2.gz MQPVKKFXKVWZEI-INIZCTEOSA-N -1 0 342.399 2.224 50 0 EEAARM Cc1nc(C)c(C(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)o1 ZINC000072476187 203231754 /nfs/dbraw/zinc/23/17/54/203231754.db2.gz MECIIVJPUWOHJO-UHFFFAOYSA-N -1 0 344.367 2.430 50 0 EEAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)N3CCCC3)CC2)c(C)n1 ZINC000072418694 203219240 /nfs/dbraw/zinc/21/92/40/203219240.db2.gz YXUQOUCVVJELMX-UHFFFAOYSA-N -1 0 347.415 2.212 50 0 EEAARM CC[C@H](C)Oc1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1OC ZINC000101347784 204005114 /nfs/dbraw/zinc/00/51/14/204005114.db2.gz RMARAFVULGPQKO-GWCFXTLKSA-N -1 0 344.371 2.447 50 0 EEAARM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)c(C)nn2C)cc1 ZINC000107037662 204224018 /nfs/dbraw/zinc/22/40/18/204224018.db2.gz GCWRHFBHUKIDKU-UHFFFAOYSA-N -1 0 336.417 2.186 50 0 EEAARM COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1C(=O)[O-] ZINC000000167781 206207771 /nfs/dbraw/zinc/20/77/71/206207771.db2.gz ZBNZWZYESIBBIH-UHFFFAOYSA-N -1 0 347.392 2.140 50 0 EEAARM O=C([O-])[C@@H]1CCCN(C(=O)COc2cccc(Br)c2)C1 ZINC000013170259 207369522 /nfs/dbraw/zinc/36/95/22/207369522.db2.gz QGGGRJLVTRLELD-SNVBAGLBSA-N -1 0 342.189 2.151 50 0 EEAARM CC1(C)Cc2cccc(OCC(=O)N3CCC[C@H](C(=O)[O-])C3)c2O1 ZINC000013170587 207370699 /nfs/dbraw/zinc/37/06/99/207370699.db2.gz ZBBBHWFXJUFRBY-ZDUSSCGKSA-N -1 0 333.384 2.102 50 0 EEAARM CC[C@H](C(=O)[O-])n1ccc2c(cnc3nc(-c4ccccc4)nn32)c1=O ZINC000012653518 280691476 /nfs/dbraw/zinc/69/14/76/280691476.db2.gz RACNALUYGAMCDQ-CYBMUJFWSA-N -1 0 349.350 2.142 50 0 EEAARM C[C@@H]1CN([C@H](c2ccco2)c2sc3ncnn3c2[O-])C[C@H](C)O1 ZINC000022610092 297073876 /nfs/dbraw/zinc/07/38/76/297073876.db2.gz LZBPNVJQMWNJMB-JFGNBEQYSA-N -1 0 334.401 2.288 50 0 EEAARM CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002517119 462594816 /nfs/dbraw/zinc/59/48/16/462594816.db2.gz RJOJSMIZZYHNQG-SNVBAGLBSA-N -1 0 332.397 2.269 50 0 EEAARM COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000037024 462540152 /nfs/dbraw/zinc/54/01/52/462540152.db2.gz PQGPQQVCVMNUQP-MRXNPFEDSA-N -1 0 349.408 2.498 50 0 EEAARM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000002877454 462606701 /nfs/dbraw/zinc/60/67/01/462606701.db2.gz PKDZYQUDOFAJGY-UHFFFAOYSA-N -1 0 325.317 2.090 50 0 EEAARM CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000003394188 462617079 /nfs/dbraw/zinc/61/70/79/462617079.db2.gz RZIOAKACLJDKSP-UHFFFAOYSA-N -1 0 336.207 2.082 50 0 EEAARM O=C([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 ZINC000003445749 462618971 /nfs/dbraw/zinc/61/89/71/462618971.db2.gz CVQIKJWNPWDPEZ-UHFFFAOYSA-N -1 0 338.429 2.160 50 0 EEAARM CCCN1C(=O)N/C(=C/c2ccc(O)c(Br)c2)C1=O ZINC000004814911 462638807 /nfs/dbraw/zinc/63/88/07/462638807.db2.gz ZQGIUPCGACLOMT-JXMROGBWSA-N -1 0 325.162 2.457 50 0 EEAARM O=C1N(Cc2ccccn2)C(c2ccccc2)=N[C@@]1([O-])C(F)(F)F ZINC000005321539 462654433 /nfs/dbraw/zinc/65/44/33/462654433.db2.gz VREHDVIMFMDSSO-HNNXBMFYSA-N -1 0 335.285 2.122 50 0 EEAARM CSCC[C@H](NS(=O)(=O)c1c(C)c(C)cc(C)c1C)C(=O)[O-] ZINC000005697567 462667006 /nfs/dbraw/zinc/66/70/06/462667006.db2.gz SUVVSSZFEKXVAI-ZDUSSCGKSA-N -1 0 345.486 2.405 50 0 EEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000006701685 462698614 /nfs/dbraw/zinc/69/86/14/462698614.db2.gz HSZFXQHDKJLZQI-JKSUJKDBSA-N -1 0 344.411 2.321 50 0 EEAARM CCNC(=O)c1sc([N-]S(=O)(=O)c2ccccc2)nc1C ZINC000008977601 462797872 /nfs/dbraw/zinc/79/78/72/462797872.db2.gz YKIKUFTXNBEGFG-UHFFFAOYSA-N -1 0 325.415 2.002 50 0 EEAARM CC(C)[C@@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)[O-] ZINC000009164877 462799722 /nfs/dbraw/zinc/79/97/22/462799722.db2.gz HXGNFMSOKZGUEP-ZIAGYGMSSA-N -1 0 333.388 2.289 50 0 EEAARM CCONC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000012548430 462857098 /nfs/dbraw/zinc/85/70/98/462857098.db2.gz BJDWOHSFLPXBKD-UHFFFAOYSA-N -1 0 326.399 2.230 50 0 EEAARM CCOC(=O)C1=C(C)N(CCC(=O)[O-])C(=O)N[C@H]1c1ccccc1 ZINC000012941555 462877387 /nfs/dbraw/zinc/87/73/87/462877387.db2.gz SKFHMFQBNQOQKK-HNNXBMFYSA-N -1 0 332.356 2.065 50 0 EEAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCC(=O)N2CCCCCC2)C1 ZINC000091425449 462878178 /nfs/dbraw/zinc/87/81/78/462878178.db2.gz GMDKBJXHMBELOR-GOSISDBHSA-N -1 0 338.448 2.273 50 0 EEAARM CN(Cc1ccccc1F)C(=O)COc1ccc(CC(=O)[O-])cc1 ZINC000013421405 462892931 /nfs/dbraw/zinc/89/29/31/462892931.db2.gz AKMHECGONUHQQV-UHFFFAOYSA-N -1 0 331.343 2.490 50 0 EEAARM CC[C@H](C)C1C(=O)N=C(SCC(=O)Nc2nccs2)N=C1[O-] ZINC000016662332 462987828 /nfs/dbraw/zinc/98/78/28/462987828.db2.gz FXFIXYBAUQLVCH-ZETCQYMHSA-N -1 0 340.430 2.176 50 0 EEAARM COCc1cc(CNc2ncnc3sc(C(=O)[O-])c(C)c32)[nH]n1 ZINC000067605534 463025177 /nfs/dbraw/zinc/02/51/77/463025177.db2.gz DBYOTNHVXRIXKV-UHFFFAOYSA-N -1 0 333.373 2.180 50 0 EEAARM COc1ccccc1-n1c(SCC(=O)[O-])nnc1-c1cc(C)no1 ZINC000067694552 463038323 /nfs/dbraw/zinc/03/83/23/463038323.db2.gz VUYDBWLXQVZTRH-UHFFFAOYSA-N -1 0 346.368 2.416 50 0 EEAARM CCOC(=O)N1CCN([C@@H](C(=O)[O-])c2ccccc2SC)CC1 ZINC000095362795 463068442 /nfs/dbraw/zinc/06/84/42/463068442.db2.gz MGQGZISGZSYYIA-CQSZACIVSA-N -1 0 338.429 2.308 50 0 EEAARM O=C([O-])c1ccc([C@H]2CCCN(Cc3nc4ncccn4n3)C2)cc1 ZINC000095389261 463073254 /nfs/dbraw/zinc/07/32/54/463073254.db2.gz AGVQMTQOFKFMCJ-HNNXBMFYSA-N -1 0 337.383 2.202 50 0 EEAARM O=C([O-])C[C@@H](NC(=O)COc1ccc(F)cc1F)c1ccco1 ZINC000095503062 463095672 /nfs/dbraw/zinc/09/56/72/463095672.db2.gz IZQJWFUWZWYADG-LLVKDONJSA-N -1 0 325.267 2.269 50 0 EEAARM O=C1c2cccc3cccc(c32)C(=O)N1CCc1n[n-]c(=S)o1 ZINC000053944181 463197184 /nfs/dbraw/zinc/19/71/84/463197184.db2.gz DFRAASPRGPWKNI-UHFFFAOYSA-N -1 0 325.349 2.350 50 0 EEAARM O=C(CSc1n[n-]c(=S)s1)NCCc1ccc(Cl)nc1 ZINC000122294980 463254120 /nfs/dbraw/zinc/25/41/20/463254120.db2.gz KIZPDDAQYMBIGX-UHFFFAOYSA-N -1 0 346.890 2.326 50 0 EEAARM CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000031665845 463349241 /nfs/dbraw/zinc/34/92/41/463349241.db2.gz AVPFBRVYWZYNRV-UHFFFAOYSA-N -1 0 349.364 2.402 50 0 EEAARM O=C([O-])C1CCN(C(=O)Cc2csc(-c3ccccn3)n2)CC1 ZINC000031865116 463356215 /nfs/dbraw/zinc/35/62/15/463356215.db2.gz LVUUOAAVZJVAMD-UHFFFAOYSA-N -1 0 331.397 2.071 50 0 EEAARM CCn1c(=O)c(C(=O)Nc2ncccc2O)c([O-])c2ccccc21 ZINC000100504436 463373840 /nfs/dbraw/zinc/37/38/40/463373840.db2.gz YCVZYCPJODDTQW-UHFFFAOYSA-N -1 0 325.324 2.080 50 0 EEAARM C[C@@H](CC(=O)[O-])NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000037457840 463442985 /nfs/dbraw/zinc/44/29/85/463442985.db2.gz YNKQGTAFCOXRCG-VIFPVBQESA-N -1 0 326.190 2.460 50 0 EEAARM Cc1nn(CCNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C)c1Cl ZINC000035670959 463432666 /nfs/dbraw/zinc/43/26/66/463432666.db2.gz DCUSHWYLVZRYTQ-RYUDHWBXSA-N -1 0 327.812 2.161 50 0 EEAARM COc1ccc(C(=O)[O-])cc1NC(=O)CC(=O)c1ccc(N)cc1 ZINC000003212902 679802930 /nfs/dbraw/zinc/80/29/30/679802930.db2.gz HDSZFTFLMDMLMJ-UHFFFAOYSA-N -1 0 328.324 2.187 50 0 EEAARM Cc1nc(-c2cn([C@@H](Cc3ccco3)C(=O)[O-])nn2)c2ccccn12 ZINC000095382718 1215363276 /nfs/dbraw/zinc/36/32/76/1215363276.db2.gz CTLHYBZRXSTRQJ-HNNXBMFYSA-N -1 0 337.339 2.363 50 0 EEAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccccn1 ZINC000012841491 201870824 /nfs/dbraw/zinc/87/08/24/201870824.db2.gz XRNYKXLPYIXSFG-XJKSGUPXSA-N -1 0 346.408 2.457 50 0 EEAARM Cc1ccc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000013027079 201883548 /nfs/dbraw/zinc/88/35/48/201883548.db2.gz NNJFSJIEQPWNBB-HNNXBMFYSA-N -1 0 333.409 2.278 50 0 EEAARM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)NCC1=CCOCC1 ZINC000263405748 539692316 /nfs/dbraw/zinc/69/23/16/539692316.db2.gz TTYBGEIEIUJYCG-MRXNPFEDSA-N -1 0 332.400 2.108 50 0 EEAARM O=C([O-])CN(C(=O)[C@H]1SCCc2sccc21)C1CCOCC1 ZINC000408513318 539943328 /nfs/dbraw/zinc/94/33/28/539943328.db2.gz QVZXPNVHECPQHV-AWEZNQCLSA-N -1 0 341.454 2.171 50 0 EEAARM O=C([O-])C1=Nc2ncnn2[C@H](c2ccc(Br)s2)C1 ZINC000101089894 304035741 /nfs/dbraw/zinc/03/57/41/304035741.db2.gz FYZMRPYWWXOBSW-LURJTMIESA-N -1 0 327.163 2.086 50 0 EEAARM CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)[O-])CC3)ccc21 ZINC000021164238 202062985 /nfs/dbraw/zinc/06/29/85/202062985.db2.gz ALZGMVISXRHUCO-UHFFFAOYSA-N -1 0 336.413 2.147 50 0 EEAARM CCN(CC)c1ccc2cc(NC(=O)/C=C/C(=O)[O-])c(=O)oc2c1 ZINC000022780813 202090829 /nfs/dbraw/zinc/09/08/29/202090829.db2.gz KFEXSMCEMLPZOG-BQYQJAHWSA-N -1 0 330.340 2.219 50 0 EEAARM Cc1nc(-c2ccncc2)sc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000031864752 212754232 /nfs/dbraw/zinc/75/42/32/212754232.db2.gz JGDSTENOWONUBT-GFCCVEGCSA-N -1 0 331.397 2.450 50 0 EEAARM O=C([O-])c1nccnc1C(=O)Nc1ccccc1-c1ccc(CO)o1 ZINC000070666228 202336445 /nfs/dbraw/zinc/33/64/45/202336445.db2.gz ZPDPLMVQSNHEBR-UHFFFAOYSA-N -1 0 339.307 2.179 50 0 biogenic EEAARM CCC[C@H](NC(=O)CCc1c(C)c2ccc(O)cc2oc1=O)C(=O)[O-] ZINC000002107327 201358663 /nfs/dbraw/zinc/35/86/63/201358663.db2.gz MKYUXERGMIJHJY-AWEZNQCLSA-N -1 0 347.367 2.109 50 0 biogenic EEAARM O=C([O-])CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000003684471 201360939 /nfs/dbraw/zinc/36/09/39/201360939.db2.gz URSTUCYFNQKYKE-DTQAZKPQSA-N -1 0 338.363 2.048 50 0 biogenic EEAARM NC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1Cl ZINC000022064755 212274451 /nfs/dbraw/zinc/27/44/51/212274451.db2.gz OPUULXFEYDRFPC-UHFFFAOYSA-N -1 0 328.752 2.379 50 0 EEAARM CCC[C@H]1CCc2c(sc(NC(=O)/C=C/C(=O)[O-])c2C(N)=O)C1 ZINC000005469847 201652599 /nfs/dbraw/zinc/65/25/99/201652599.db2.gz AOCWIDBWMPMSEB-UCUJLANTSA-N -1 0 336.413 2.331 50 0 EEAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)c1csc2c1CCCC2 ZINC000096179596 304150640 /nfs/dbraw/zinc/15/06/40/304150640.db2.gz UUNFSAWXOGKCEN-ZDUSSCGKSA-N -1 0 331.397 2.002 50 0 EEAARM O=C([O-])c1ccnc(-c2ccnc(NCCNc3cccnc3)n2)c1 ZINC000077488970 203391494 /nfs/dbraw/zinc/39/14/94/203391494.db2.gz BIPPVJAFGYHBMY-UHFFFAOYSA-N -1 0 336.355 2.156 50 0 EEAARM COc1ccc(C([O-])=CC(=O)C(=O)Nc2ccccc2OC)cc1 ZINC000101354883 204004661 /nfs/dbraw/zinc/00/46/61/204004661.db2.gz NCHXIBWKNWUTPD-UHFFFAOYSA-N -1 0 327.336 2.484 50 0 EEAARM COc1cccc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1 ZINC000102818743 204051285 /nfs/dbraw/zinc/05/12/85/204051285.db2.gz LOVQXEHKQXNFTM-GJZGRUSLSA-N -1 0 340.314 2.332 50 0 EEAARM O=C([O-])COc1ccc(C(=O)Cc2ccc3c(c2)OCCO3)c(O)c1 ZINC000004038794 205675620 /nfs/dbraw/zinc/67/56/20/205675620.db2.gz SZOJQHJBERFLCU-UHFFFAOYSA-N -1 0 344.319 2.052 50 0 biogenic EEAARM CCOC(=O)Cc1csc([N-]S(=O)(=O)Cc2ccccc2)n1 ZINC000000285307 206228741 /nfs/dbraw/zinc/22/87/41/206228741.db2.gz MTTAPKOPHIYEFH-UHFFFAOYSA-N -1 0 340.426 2.191 50 0 EEAARM O=C([O-])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F ZINC000003268178 304207819 /nfs/dbraw/zinc/20/78/19/304207819.db2.gz VIEARBDFEOGETR-CQSZACIVSA-N -1 0 335.356 2.026 50 0 EEAARM CS(=O)(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000013255256 207368491 /nfs/dbraw/zinc/36/84/91/207368491.db2.gz BHMPHXBSRLMSDO-UHFFFAOYSA-N -1 0 339.413 2.454 50 0 EEAARM O=C([O-])[C@@H]1Cc2nc(NC(=O)Cc3ccccc3)sc2C(=O)C1 ZINC000299781383 258090313 /nfs/dbraw/zinc/09/03/13/258090313.db2.gz WCIIBVMDTZSPSO-SNVBAGLBSA-N -1 0 330.365 2.154 50 0 EEAARM O=C([O-])[C@H]1Cc2nc(NC(=O)c3ccccc3F)sc2C(=O)C1 ZINC000299794342 258099411 /nfs/dbraw/zinc/09/94/11/258099411.db2.gz KGYHINNHLPHCRM-ZETCQYMHSA-N -1 0 334.328 2.364 50 0 EEAARM Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000009242390 292328368 /nfs/dbraw/zinc/32/83/68/292328368.db2.gz ZZKUKOCPSMDCKG-HXUWFJFHSA-N -1 0 349.390 2.257 50 0 EEAARM COc1ccc(C(=O)Nc2nn3c([n-]2)nc(C)c(Cl)c3=O)cc1 ZINC000008613522 277880107 /nfs/dbraw/zinc/88/01/07/277880107.db2.gz SZNWGKJXMJBXOG-UHFFFAOYSA-N -1 0 333.735 2.053 50 0 EEAARM CC(C)(C(=O)[O-])c1cnc(NC2CCCC2)nc1N1CCOCC1 ZINC000096148683 278278479 /nfs/dbraw/zinc/27/84/79/278278479.db2.gz KCJYOBUCOCFZGI-UHFFFAOYSA-N -1 0 334.420 2.030 50 0 EEAARM CC(C)[C@@H](NC(=O)COc1cccc(Br)c1)C(=O)[O-] ZINC000000240012 462550369 /nfs/dbraw/zinc/55/03/69/462550369.db2.gz DMLTZDZSTIQYOF-GFCCVEGCSA-N -1 0 330.178 2.053 50 0 EEAARM O=c1c2cc(Cl)ccc2[n-]c(=S)n1CCCN1CCOCC1 ZINC000000425323 462561635 /nfs/dbraw/zinc/56/16/35/462561635.db2.gz JAYBNRRVPGYVNR-UHFFFAOYSA-N -1 0 339.848 2.435 50 0 EEAARM CCCc1cc(=O)oc2cc(OCC(=O)NCCCC(=O)[O-])ccc12 ZINC000002154352 462589932 /nfs/dbraw/zinc/58/99/32/462589932.db2.gz BFIYGDJNFMFXFU-UHFFFAOYSA-N -1 0 347.367 2.105 50 0 biogenic EEAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1C(N)=O ZINC000002766908 462601824 /nfs/dbraw/zinc/60/18/24/462601824.db2.gz FLVXSHGBCSLTLK-QWRGUYRKSA-N -1 0 336.413 2.323 50 0 EEAARM CCc1nc2sc([C@@H](c3ccco3)N3CCOCC3)c([O-])n2n1 ZINC000004584943 462635594 /nfs/dbraw/zinc/63/55/94/462635594.db2.gz NTQWPPDRISHMEV-GFCCVEGCSA-N -1 0 334.401 2.073 50 0 EEAARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1cnc(Br)n1)(C3)C2 ZINC000005731800 462668523 /nfs/dbraw/zinc/66/85/23/462668523.db2.gz ODVKAFUIFXUNTK-RFZWMSCOSA-N -1 0 326.194 2.421 50 0 EEAARM CN(C)c1ncc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cn1 ZINC000075162077 462689103 /nfs/dbraw/zinc/68/91/03/462689103.db2.gz LHWNMFXXTGGRFY-UHFFFAOYSA-N -1 0 346.334 2.362 50 0 EEAARM CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000008279148 462776339 /nfs/dbraw/zinc/77/63/39/462776339.db2.gz AMEBTHVTVZOZRV-OAHLLOKOSA-N -1 0 344.367 2.049 50 0 EEAARM COc1cc(-c2nnc([N-]C(=O)c3ccno3)o2)cc(OC)c1OC ZINC000010253857 462816060 /nfs/dbraw/zinc/81/60/60/462816060.db2.gz YJAIBARNPIMZIS-UHFFFAOYSA-N -1 0 346.299 2.003 50 0 EEAARM COc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000012757666 462866107 /nfs/dbraw/zinc/86/61/07/462866107.db2.gz VVAKRCGRABALHW-UHFFFAOYSA-N -1 0 329.381 2.265 50 0 EEAARM COc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(CC(=O)[O-])cc1 ZINC000013316519 462889052 /nfs/dbraw/zinc/88/90/52/462889052.db2.gz RBQKEQDGRHJKJI-CYBMUJFWSA-N -1 0 343.379 2.406 50 0 EEAARM O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1ccc([O-])c(Cl)c1 ZINC000092135795 462930405 /nfs/dbraw/zinc/93/04/05/462930405.db2.gz UAKKGJYECVUSPY-LBPRGKRZSA-N -1 0 346.818 2.482 50 0 EEAARM O=C([O-])c1ccc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000077099207 462940416 /nfs/dbraw/zinc/94/04/16/462940416.db2.gz SQAXVVAUMVSXSH-UHFFFAOYSA-N -1 0 340.257 2.204 50 0 EEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000016042097 462968924 /nfs/dbraw/zinc/96/89/24/462968924.db2.gz MDAVYBMKURVDIW-CQSZACIVSA-N -1 0 342.351 2.275 50 0 EEAARM CSCC[C@H](NC(=O)c1cnc(Nc2ccccc2)nc1)C(=O)[O-] ZINC000095388498 463073171 /nfs/dbraw/zinc/07/31/71/463073171.db2.gz DPFBXKUXCHYNSC-ZDUSSCGKSA-N -1 0 346.412 2.156 50 0 EEAARM COC(=O)C[C@H](c1ccsc1)c1c([O-])nc2ccccn2c1=O ZINC000096118002 463181371 /nfs/dbraw/zinc/18/13/71/463181371.db2.gz CSVRUAKPVXKKJO-LLVKDONJSA-N -1 0 330.365 2.157 50 0 EEAARM O=C([O-])c1cccc(-n2nc(C3CCOCC3)nc2[C@@H]2CCOC2)c1 ZINC000096151635 463187789 /nfs/dbraw/zinc/18/77/89/463187789.db2.gz TUNRYRGAFLKRNP-CQSZACIVSA-N -1 0 343.383 2.363 50 0 EEAARM CCN(Cc1nc(COC)no1)[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000055108659 463286288 /nfs/dbraw/zinc/28/62/88/463286288.db2.gz BQYXATBFVVNGJJ-OAHLLOKOSA-N -1 0 337.351 2.311 50 0 EEAARM CC(C)Cc1cc(CNC(=O)c2cccc(NCC(=O)[O-])c2)no1 ZINC000055226283 463298476 /nfs/dbraw/zinc/29/84/76/463298476.db2.gz AFNLPQHGQOABMV-UHFFFAOYSA-N -1 0 331.372 2.300 50 0 EEAARM CC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000100563729 463373755 /nfs/dbraw/zinc/37/37/55/463373755.db2.gz ZVPGHYWQDHCPMA-FUHWJXTLSA-N -1 0 347.374 2.318 50 0 EEAARM C[C@@H](CN(C)C(=O)c1cccc(C(=O)OC(C)(C)C)c1)c1nnn[n-]1 ZINC000124169402 463395251 /nfs/dbraw/zinc/39/52/51/463395251.db2.gz DXLRCNABOPDKDC-NSHDSACASA-N -1 0 345.403 2.031 50 0 EEAARM COC(=O)c1cn([C@@H](CC(=O)[O-])c2cccs2)cc2c(=O)[nH]nc1-2 ZINC000524734149 467640381 /nfs/dbraw/zinc/64/03/81/467640381.db2.gz CMXYKYWVEKUHJL-JTQLQIEISA-N -1 0 347.352 2.001 50 0 EEAARM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)CC2CCCCCC2)CC1 ZINC000585134318 468986261 /nfs/dbraw/zinc/98/62/61/468986261.db2.gz MXXIRUSRGACWHE-QFIPXVFZSA-N -1 0 329.462 2.171 50 0 EEAARM Cc1noc(C)c1NC(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000585136048 468987777 /nfs/dbraw/zinc/98/77/77/468987777.db2.gz NRYWFBUZYJMKOK-GFCCVEGCSA-N -1 0 342.359 2.221 50 0 EEAARM CCCc1cc(-c2nc(CC(=O)N[C@@H](C)C(=O)[O-])cs2)ccn1 ZINC000218270193 535774527 /nfs/dbraw/zinc/77/45/27/535774527.db2.gz HVUGJDXTBKVFJK-JTQLQIEISA-N -1 0 333.413 2.289 50 0 EEAARM Cn1c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2n(C)c1=O ZINC000064367088 1187307380 /nfs/dbraw/zinc/30/73/80/1187307380.db2.gz NKKMTWCHJDOSAB-RQZCQDPDSA-N -1 0 326.312 2.241 50 0 EEAARM CC(C)[C@@H]1CN(C(=O)CCc2[nH]nc3c2CCCC3)C[C@H]1C(=O)[O-] ZINC000219561766 785797141 /nfs/dbraw/zinc/79/71/41/785797141.db2.gz IUGJMJIQIAIRLZ-UONOGXRCSA-N -1 0 333.432 2.036 50 0 EEAARM CSCC[C@H](NC(=O)CCn1ccc2ccc(F)cc21)C(=O)[O-] ZINC000020721723 202053644 /nfs/dbraw/zinc/05/36/44/202053644.db2.gz LVLHTKBUECRGCS-ZDUSSCGKSA-N -1 0 338.404 2.493 50 0 EEAARM CC(C)[C@@H](NC(=O)c1ccccc1I)C(=O)[O-] ZINC000022144950 202080384 /nfs/dbraw/zinc/08/03/84/202080384.db2.gz WDWSCOKXLQGGRJ-SNVBAGLBSA-N -1 0 347.152 2.130 50 0 EEAARM Cc1ccc(C(=O)[O-])cc1N[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000025665189 202134292 /nfs/dbraw/zinc/13/42/92/202134292.db2.gz KOFKIJJKPQCUQQ-MRXNPFEDSA-N -1 0 338.363 2.433 50 0 EEAARM COc1cccc(N2C(=O)C[C@H](Nc3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000025665203 202134603 /nfs/dbraw/zinc/13/46/03/202134603.db2.gz PRQHYRDSSUZRNK-HNNXBMFYSA-N -1 0 340.335 2.137 50 0 EEAARM O=C([O-])c1ccc(CNC(=O)Cc2csc(-n3cccc3)n2)cc1 ZINC000030819452 202199389 /nfs/dbraw/zinc/19/93/89/202199389.db2.gz UUZDEARBICLKOK-UHFFFAOYSA-N -1 0 341.392 2.491 50 0 EEAARM O=C([O-])C[C@@]12CSc3[nH]c(=O)sc3[C@@H]1c1ccccc1OC2=O ZINC000003651775 304081130 /nfs/dbraw/zinc/08/11/30/304081130.db2.gz WWOHJZXAWSYQOP-ZUZCIYMTSA-N -1 0 349.389 2.054 50 0 EEAARM COc1cc([N-]S(=O)(=O)c2ccc(N)cc2OC)cc(OC)c1 ZINC000036379541 202323529 /nfs/dbraw/zinc/32/35/29/202323529.db2.gz SQYZRTXBXGRTBP-UHFFFAOYSA-N -1 0 338.385 2.095 50 0 EEAARM O=C([O-])CCC(=O)Nc1ccc(C(=O)Nc2cccc(O)c2)cc1 ZINC000000619703 201491219 /nfs/dbraw/zinc/49/12/19/201491219.db2.gz MSPZHGYRCGRORL-UHFFFAOYSA-N -1 0 328.324 2.448 50 0 EEAARM C[C@H]1C(=O)N(CC(=O)[O-])CCN1Cc1ccc2cc(Cl)ccc2n1 ZINC000244872935 243088193 /nfs/dbraw/zinc/08/81/93/243088193.db2.gz WHGPKLATEVZHRX-NSHDSACASA-N -1 0 347.802 2.006 50 0 EEAARM COc1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cc1-c1nnc(C)o1 ZINC000071285735 203089933 /nfs/dbraw/zinc/08/99/33/203089933.db2.gz BROUBYWPNIEDOY-QWHCGFSZSA-N -1 0 345.355 2.349 50 0 EEAARM Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)c2)n1 ZINC000071288004 203090946 /nfs/dbraw/zinc/09/09/46/203090946.db2.gz WOSFEGYHSINVBS-KGLIPLIRSA-N -1 0 341.367 2.041 50 0 EEAARM Cc1nccn1C1(C(=O)[O-])CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000072459035 203227777 /nfs/dbraw/zinc/22/77/77/203227777.db2.gz IEQGEVGENYEHOZ-UHFFFAOYSA-N -1 0 339.399 2.144 50 0 EEAARM O=C([O-])C1(n2ccc(-c3ccco3)n2)CCN(c2ncccn2)CC1 ZINC000072463344 203229922 /nfs/dbraw/zinc/22/99/22/203229922.db2.gz ZZCBVYQZQLYPOI-UHFFFAOYSA-N -1 0 339.355 2.013 50 0 EEAARM O=C([O-])C1(n2cccn2)CCN(C(=O)CCc2cccc(F)c2)CC1 ZINC000072429661 203222614 /nfs/dbraw/zinc/22/26/14/203222614.db2.gz SNSQPGMLPMYUKA-UHFFFAOYSA-N -1 0 345.374 2.057 50 0 EEAARM Cc1nccn1C1(C(=O)[O-])CCN(C(=O)NCc2cccs2)CC1 ZINC000072429015 203222917 /nfs/dbraw/zinc/22/29/17/203222917.db2.gz GBSZMPCKMFHLNR-UHFFFAOYSA-N -1 0 348.428 2.039 50 0 EEAARM O=C([O-])CCCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000001795953 206321975 /nfs/dbraw/zinc/32/19/75/206321975.db2.gz MPBOJMFJRAHJEL-UHFFFAOYSA-N -1 0 325.308 2.239 50 0 EEAARM COc1ccc(CNC(=O)[C@H]2COc3ccccc3C2)cc1C(=O)[O-] ZINC000013393208 257975232 /nfs/dbraw/zinc/97/52/32/257975232.db2.gz XHIXJBBUZOLWPI-CQSZACIVSA-N -1 0 341.363 2.261 50 0 EEAARM C[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccc(-n2cncn2)cc1 ZINC000013468265 289809540 /nfs/dbraw/zinc/80/95/40/289809540.db2.gz MVYMCFXGHDWROU-ZDUSSCGKSA-N -1 0 342.399 2.480 50 0 EEAARM COc1cc2c(cc1OC)CN(c1cccc(C(=O)[O-])c1)C(=O)C2 ZINC000021168279 295040259 /nfs/dbraw/zinc/04/02/59/295040259.db2.gz VYEBIHOYVBOQDA-UHFFFAOYSA-N -1 0 327.336 2.491 50 0 EEAARM COc1ccc(S(=O)(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000003327967 295187072 /nfs/dbraw/zinc/18/70/72/295187072.db2.gz XZKWYLIEUAWUJZ-UHFFFAOYSA-N -1 0 349.408 2.361 50 0 EEAARM CN(C)c1cccc2c1cccc2S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000000057281 462540441 /nfs/dbraw/zinc/54/04/41/462540441.db2.gz ZHJIWURDCGMVQE-HNNXBMFYSA-N -1 0 348.424 2.144 50 0 EEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)c1 ZINC000000147986 462543535 /nfs/dbraw/zinc/54/35/35/462543535.db2.gz UYCVIUOAFGEQSG-UHFFFAOYSA-N -1 0 349.364 2.175 50 0 EEAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)[O-])ccc12 ZINC000002154025 462590276 /nfs/dbraw/zinc/59/02/76/462590276.db2.gz WZVWOCOJJLHLFT-UHFFFAOYSA-N -1 0 347.367 2.024 50 0 biogenic EEAARM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1Cc1ccccc1Cl ZINC000061717561 462597108 /nfs/dbraw/zinc/59/71/08/462597108.db2.gz CWEZYVHUVSQQBE-LBPRGKRZSA-N -1 0 340.832 2.089 50 0 EEAARM Cc1nn(CCO)c2ncc(C(=O)c3cc(Cl)ccc3[O-])cc12 ZINC000003434565 462618760 /nfs/dbraw/zinc/61/87/60/462618760.db2.gz CVZWGXZUPSDNCX-UHFFFAOYSA-N -1 0 331.759 2.322 50 0 EEAARM O=C([O-])[C@@H]1[C@@H](C(=O)Nc2cccc(Br)c2)[C@H]2C=C[C@@H]1O2 ZINC000004019532 462626976 /nfs/dbraw/zinc/62/69/76/462626976.db2.gz TWEGMXZXLULBRO-RHYQMDGZSA-N -1 0 338.157 2.042 50 0 EEAARM O=C([O-])CCCC(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000004505659 462633073 /nfs/dbraw/zinc/63/30/73/462633073.db2.gz XRXWYVZKEIJDKQ-UHFFFAOYSA-N -1 0 331.368 2.268 50 0 EEAARM C[C@H](Sc1nncc(=O)[n-]1)C(=O)Nc1ccccc1C(F)(F)F ZINC000005237826 462651045 /nfs/dbraw/zinc/65/10/45/462651045.db2.gz LHBRBTBDVLANGS-ZETCQYMHSA-N -1 0 344.318 2.303 50 0 EEAARM CC(=O)Nc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000005307766 462655100 /nfs/dbraw/zinc/65/51/00/462655100.db2.gz NPUFAGAFZBAPKQ-INIZCTEOSA-N -1 0 341.367 2.462 50 0 EEAARM O=C([O-])C[C@H]1COCCN1C(=O)CSCc1ccccc1Cl ZINC000063845254 462677377 /nfs/dbraw/zinc/67/73/77/462677377.db2.gz OWXJCKJNOQWTNJ-LBPRGKRZSA-N -1 0 343.832 2.275 50 0 EEAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000006589258 462692354 /nfs/dbraw/zinc/69/23/54/462692354.db2.gz FXLXAHJHOBTSGB-UHFFFAOYSA-N -1 0 330.409 2.465 50 0 EEAARM 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/nfs/dbraw/zinc/58/90/10/462589010.db2.gz CCMGYOWRODYUFO-UHFFFAOYSA-N -1 0 347.367 2.111 50 0 biogenic EEAARM COc1ccc2nc(C)cc(SC[C@@H](NC(C)=O)C(=O)[O-])c2c1 ZINC000002449392 462593826 /nfs/dbraw/zinc/59/38/26/462593826.db2.gz ZCSIKQWFDTYDMJ-CQSZACIVSA-N -1 0 334.397 2.233 50 0 EEAARM COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1OC ZINC000003208261 462612470 /nfs/dbraw/zinc/61/24/70/462612470.db2.gz VQBNWHIIZMCLDS-UHFFFAOYSA-N -1 0 337.353 2.203 50 0 EEAARM C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000004690298 462635114 /nfs/dbraw/zinc/63/51/14/462635114.db2.gz ARXQOGBQGDIDJY-GFCCVEGCSA-N -1 0 335.381 2.190 50 0 EEAARM COC(=O)[C@@H](NC(=O)CCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000004575204 462635519 /nfs/dbraw/zinc/63/55/19/462635519.db2.gz VHQRDOXTYTYCJL-LBPRGKRZSA-N -1 0 334.155 2.189 50 0 EEAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000004788889 462638217 /nfs/dbraw/zinc/63/82/17/462638217.db2.gz UUDHWXHVQGCTNR-GJZGRUSLSA-N -1 0 328.368 2.419 50 0 EEAARM CCOc1ccc(Cc2nnc(NCc3cccnc3)[n-]c2=O)cc1 ZINC000005154627 462647213 /nfs/dbraw/zinc/64/72/13/462647213.db2.gz SUVPBOYUTHEURW-UHFFFAOYSA-N -1 0 337.383 2.162 50 0 EEAARM COc1ccc(N(CC(=O)[O-])S(=O)(=O)c2cccs2)cc1 ZINC000005234563 462651560 /nfs/dbraw/zinc/65/15/60/462651560.db2.gz RXKWIBOUIUMQKS-UHFFFAOYSA-N -1 0 327.383 2.037 50 0 EEAARM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000005392701 462657079 /nfs/dbraw/zinc/65/70/79/462657079.db2.gz KDLWVJFFGNQLSB-UHFFFAOYSA-N -1 0 336.373 2.073 50 0 EEAARM O=C([O-])c1ccc2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)[nH]c2c1 ZINC000006554057 462689904 /nfs/dbraw/zinc/68/99/04/462689904.db2.gz PSENGUNYQKGWIH-UHFFFAOYSA-N -1 0 334.690 2.170 50 0 EEAARM COc1ccccc1C[C@@H](C(=O)Nc1ccc(C)cc1)c1nnn[n-]1 ZINC000006556777 462690424 /nfs/dbraw/zinc/69/04/24/462690424.db2.gz RIHRLCLKVBTZDW-OAHLLOKOSA-N -1 0 337.383 2.482 50 0 EEAARM COc1ccccc1C[C@@H](C(=O)Nc1cccc(C)c1)c1nnn[n-]1 ZINC000006556988 462690592 /nfs/dbraw/zinc/69/05/92/462690592.db2.gz SXJRVFYPRKANQH-OAHLLOKOSA-N -1 0 337.383 2.482 50 0 EEAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)cs1 ZINC000006681560 462697655 /nfs/dbraw/zinc/69/76/55/462697655.db2.gz UUPFSRPZHJMCMY-UHFFFAOYSA-N -1 0 338.410 2.111 50 0 EEAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cnn(CC)c1C ZINC000006706441 462698742 /nfs/dbraw/zinc/69/87/42/462698742.db2.gz FKHKYJGNNWUQTN-UHFFFAOYSA-N -1 0 337.401 2.189 50 0 EEAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2ccccc2F)C1 ZINC000091745794 462903601 /nfs/dbraw/zinc/90/36/01/462903601.db2.gz WCSLWZFXOCDVOP-SFHVURJKSA-N -1 0 337.391 2.488 50 0 EEAARM COc1cc(-c2cc(C(=O)[O-])c3c(C)[nH]nc3n2)cc(OC)c1O ZINC000049543250 462970280 /nfs/dbraw/zinc/97/02/80/462970280.db2.gz XCDGUDNQKNQJKE-UHFFFAOYSA-N -1 0 329.312 2.354 50 0 biogenic EEAARM C[C@@](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)(C(=O)[O-])c1ccccc1 ZINC000016481334 462980837 /nfs/dbraw/zinc/98/08/37/462980837.db2.gz KCAHWRVJZOKINW-SFHVURJKSA-N -1 0 339.351 2.227 50 0 EEAARM Cn1ncc(C(=O)[O-])c1C(=O)NCc1ccccc1N1CCCCC1 ZINC000020616869 463028552 /nfs/dbraw/zinc/02/85/52/463028552.db2.gz BKCPYBRXPPHQCE-UHFFFAOYSA-N -1 0 342.399 2.039 50 0 EEAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)CCO3)ccc1F ZINC000026543688 463166976 /nfs/dbraw/zinc/16/69/76/463166976.db2.gz CVENAEQFZNFGBT-UHFFFAOYSA-N -1 0 337.328 2.260 50 0 EEAARM CSCC[C@@H](O)c1nc(-c2ccc(F)c(F)c2)nn1CC(=O)[O-] ZINC000097743678 463363218 /nfs/dbraw/zinc/36/32/18/463363218.db2.gz GDQPWZKHXZUNTL-LLVKDONJSA-N -1 0 343.355 2.094 50 0 EEAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1c(Cl)nc2sccn12 ZINC000037435254 463443700 /nfs/dbraw/zinc/44/37/00/463443700.db2.gz CRPLGRFOHDJGJJ-CDAZIORVSA-N -1 0 325.777 2.138 50 0 EEAARM COc1ccccc1O[C@@H](C)CNC(=O)c1ccoc1CC(=O)[O-] ZINC000585134362 468986350 /nfs/dbraw/zinc/98/63/50/468986350.db2.gz PGCPVPUESVLLIV-NSHDSACASA-N -1 0 333.340 2.113 50 0 EEAARM CC(=O)Oc1ccc(NC(=O)COc2ccccc2)c(C(=O)[O-])c1 ZINC000004649189 210237021 /nfs/dbraw/zinc/23/70/21/210237021.db2.gz AOAYBLGAMPPSLF-UHFFFAOYSA-N -1 0 329.308 2.328 50 0 EEAARM CCc1nc2sc([C@H](c3ccco3)N3CCOCC3)c([O-])n2n1 ZINC000004584944 210226605 /nfs/dbraw/zinc/22/66/05/210226605.db2.gz NTQWPPDRISHMEV-LBPRGKRZSA-N -1 0 334.401 2.073 50 0 EEAARM Cc1cccc(OCC(=O)[N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000002706736 209893507 /nfs/dbraw/zinc/89/35/07/209893507.db2.gz PKVSDMHSMPAWJW-UHFFFAOYSA-N -1 0 333.409 2.496 50 0 EEAARM CSCC[C@H](NC(=O)Cn1cc(C(C)=O)c2ccccc21)C(=O)[O-] ZINC000036369955 213091489 /nfs/dbraw/zinc/09/14/89/213091489.db2.gz AKUOSFHZSPFGEP-AWEZNQCLSA-N -1 0 348.424 2.166 50 0 biogenic EEAARM COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)c2ccccc12 ZINC000035685580 213046107 /nfs/dbraw/zinc/04/61/07/213046107.db2.gz ULPCWMIKMFHWGP-HNNXBMFYSA-N -1 0 337.397 2.236 50 0 EEAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)CCc3ccsc3)CC2)c1 ZINC000072420974 216209126 /nfs/dbraw/zinc/20/91/26/216209126.db2.gz LLAVWXTWPBHMLU-UHFFFAOYSA-N -1 0 347.440 2.288 50 0 EEAARM COc1ccccc1OC1(C(=O)[O-])CCN(c2ccc(C)nn2)CC1 ZINC000072432794 216226719 /nfs/dbraw/zinc/22/67/19/216226719.db2.gz ITBYUJCLADOMHF-UHFFFAOYSA-N -1 0 343.383 2.296 50 0 EEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F ZINC000003268176 304153422 /nfs/dbraw/zinc/15/34/22/304153422.db2.gz VIEARBDFEOGETR-AWEZNQCLSA-N -1 0 335.356 2.026 50 0 EEAARM O=C([O-])c1ccc(CCNC(=O)[C@H]2COc3ccccc3C2)cc1 ZINC000013443659 211558746 /nfs/dbraw/zinc/55/87/46/211558746.db2.gz IKKVTOXQSFOCLY-MRXNPFEDSA-N -1 0 325.364 2.295 50 0 EEAARM COc1ccc(C(=O)N2CCC[C@@](CC3CC3)(C(=O)[O-])C2)c(OC)n1 ZINC000091678864 218045532 /nfs/dbraw/zinc/04/55/32/218045532.db2.gz BUWYWHZDDDZXMJ-SFHVURJKSA-N -1 0 348.399 2.206 50 0 EEAARM O=C([O-])[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000092002221 218101617 /nfs/dbraw/zinc/10/16/17/218101617.db2.gz AXJDMDJVWUIIRQ-UONOGXRCSA-N -1 0 331.368 2.232 50 0 EEAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC000092046667 218111033 /nfs/dbraw/zinc/11/10/33/218111033.db2.gz KVKKMGOEGGUHSZ-SFHVURJKSA-N -1 0 328.368 2.245 50 0 EEAARM O=C([O-])c1cc(I)cnc1Br ZINC000091301658 304225403 /nfs/dbraw/zinc/22/54/03/304225403.db2.gz QLWYFTRYOMPMRB-UHFFFAOYSA-N -1 0 327.903 2.147 50 0 EEAARM O=C1N(Cc2ccccn2)C(c2ccccc2)=N[C@]1([O-])C(F)(F)F ZINC000005321537 210438258 /nfs/dbraw/zinc/43/82/58/210438258.db2.gz VREHDVIMFMDSSO-OAHLLOKOSA-N -1 0 335.285 2.122 50 0 EEAARM CC(C)C1C(=O)N=C(SCC(=O)N2CCCCCC2)N=C1[O-] ZINC000005095307 210387989 /nfs/dbraw/zinc/38/79/89/210387989.db2.gz XQIOCGZSHCXVTQ-UHFFFAOYSA-N -1 0 325.434 2.094 50 0 EEAARM CC(C)CNc1cc(Cl)c(S(=O)(=O)N(C)C)cc1C(=O)[O-] ZINC000004994988 210354462 /nfs/dbraw/zinc/35/44/62/210354462.db2.gz BAPOEUMBAFMCIE-UHFFFAOYSA-N -1 0 334.825 2.356 50 0 EEAARM Cc1cc(NC(=O)c2nccnc2C(=O)[O-])ccc1Br ZINC000004961025 210340000 /nfs/dbraw/zinc/34/00/00/210340000.db2.gz HDAMTBOWGDJVIU-UHFFFAOYSA-N -1 0 336.145 2.498 50 0 EEAARM O=C([O-])Cc1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 ZINC000004857077 210303808 /nfs/dbraw/zinc/30/38/08/210303808.db2.gz WDMCPYVYRCXGAA-OAHLLOKOSA-N -1 0 325.320 2.034 50 0 EEAARM CN(C)C(=O)c1cccc(CNC(=O)[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000299755981 258074172 /nfs/dbraw/zinc/07/41/72/258074172.db2.gz AYUYVOHKCFGWQP-MRXNPFEDSA-N -1 0 346.427 2.286 50 0 EEAARM Cc1nnc([C@H]2CCCN2CCC(=O)Nc2ccsc2C(=O)[O-])[nH]1 ZINC000252489048 464964936 /nfs/dbraw/zinc/96/49/36/464964936.db2.gz JEAGNIVTTPUJMH-LLVKDONJSA-N -1 0 349.416 2.039 50 0 EEAARM COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1C(=O)[O-] ZINC000000081721 462541482 /nfs/dbraw/zinc/54/14/82/462541482.db2.gz GAPWNODCCFXZOA-UHFFFAOYSA-N -1 0 335.381 2.214 50 0 EEAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])ccc12 ZINC000000487046 462566254 /nfs/dbraw/zinc/56/62/54/462566254.db2.gz KUDYAZBISYXUTJ-QWRGUYRKSA-N -1 0 347.367 2.102 50 0 biogenic EEAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000006623285 462692884 /nfs/dbraw/zinc/69/28/84/462692884.db2.gz JBNOZKNCQLVWLK-UHFFFAOYSA-N -1 0 332.381 2.299 50 0 EEAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cs1 ZINC000006681537 462697424 /nfs/dbraw/zinc/69/74/24/462697424.db2.gz JPQYGDSLGOJYOF-UHFFFAOYSA-N -1 0 338.410 2.111 50 0 EEAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)cc1 ZINC000007054318 462719765 /nfs/dbraw/zinc/71/97/65/462719765.db2.gz FXDMMJQMVPSNAQ-UHFFFAOYSA-N -1 0 346.408 2.388 50 0 EEAARM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000008185168 462771643 /nfs/dbraw/zinc/77/16/43/462771643.db2.gz GNGBUDLKPQULPQ-UHFFFAOYSA-N -1 0 347.396 2.446 50 0 EEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000012649148 462861964 /nfs/dbraw/zinc/86/19/64/462861964.db2.gz KMMOODHYGFVFKS-UHFFFAOYSA-N -1 0 329.385 2.284 50 0 EEAARM C[C@H](O)[C@@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000012761689 462867042 /nfs/dbraw/zinc/86/70/42/462867042.db2.gz DDAOPVLYHVGTPJ-MAZHCROVSA-N -1 0 345.420 2.470 50 0 EEAARM COc1ccccc1CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000013087550 462884761 /nfs/dbraw/zinc/88/47/61/462884761.db2.gz CLWYNZKSDUMDFX-UHFFFAOYSA-N -1 0 349.408 2.191 50 0 EEAARM Cc1nc(CN2CCC(C(=O)[O-])(n3ccc(C(C)C)n3)CC2)co1 ZINC000077378180 462976187 /nfs/dbraw/zinc/97/61/87/462976187.db2.gz LPRDWEXKXOEFRZ-UHFFFAOYSA-N -1 0 332.404 2.379 50 0 EEAARM O=C(CN1C(=O)CSc2ccccc21)[N-]OCc1ccccc1 ZINC000023040087 463059674 /nfs/dbraw/zinc/05/96/74/463059674.db2.gz YADMRAAKCGKQJQ-UHFFFAOYSA-N -1 0 328.393 2.373 50 0 EEAARM O=C([O-])CNC(=O)c1ccc(NCCC(=O)c2ccccc2)cc1 ZINC000026959203 463179217 /nfs/dbraw/zinc/17/92/17/463179217.db2.gz HSRGDKCZRDYSHJ-UHFFFAOYSA-N -1 0 326.352 2.186 50 0 EEAARM Cc1ncsc1COC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000101080336 463376845 /nfs/dbraw/zinc/37/68/45/463376845.db2.gz BTIDIKYBXYPXNL-UHFFFAOYSA-N -1 0 347.421 2.344 50 0 EEAARM O=C([O-])c1ccccc1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000071288375 463413855 /nfs/dbraw/zinc/41/38/55/463413855.db2.gz KDICDSNNJSSQHZ-UHFFFAOYSA-N -1 0 338.363 2.458 50 0 EEAARM CN1[C@@H](c2ccccc2F)[C@@H](C(=O)NCc2ccoc2)C[C@H]1C(=O)[O-] ZINC000071315097 463413872 /nfs/dbraw/zinc/41/38/72/463413872.db2.gz GGCHIGIDQAACJG-BPUTZDHNSA-N -1 0 346.358 2.181 50 0 EEAARM CCc1nc2[n-]c(C)nn2c(=O)c1NC(=O)Nc1ccccc1F ZINC000033266186 463419338 /nfs/dbraw/zinc/41/93/38/463419338.db2.gz ZUFPJHZMWMEAGT-UHFFFAOYSA-N -1 0 330.323 2.484 50 0 EEAARM Cn1cc(Br)cc1C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000125257129 463523020 /nfs/dbraw/zinc/52/30/20/463523020.db2.gz HKBXKQXFWLXCRD-SNVBAGLBSA-N -1 0 343.202 2.405 50 0 EEAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnc(-c3ccncc3)nc2)C1 ZINC000426380480 536027408 /nfs/dbraw/zinc/02/74/08/536027408.db2.gz NTBGYOVKTSLHLU-GOSISDBHSA-N -1 0 340.383 2.256 50 0 EEAARM COc1ccccc1CNC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000005730898 1179382400 /nfs/dbraw/zinc/38/24/00/1179382400.db2.gz KNUGSOCHGZIKCS-UHFFFAOYSA-N -1 0 338.363 2.183 50 0 EEAARM COCC[C@]1(CO)CCCN(c2ncc(C(=O)[O-])cc2Cl)C1 ZINC000091877285 793346419 /nfs/dbraw/zinc/34/64/19/793346419.db2.gz ORBKYJORUVHIQS-OAHLLOKOSA-N -1 0 328.796 2.049 50 0 EEAARM COc1cccc([C@@H]2CCN(c3cnc(C(=O)[O-])cn3)C2)c1OC ZINC001529150926 1121341361 /nfs/dbraw/zinc/34/13/61/1121341361.db2.gz BLBPIWHPMBFMCE-LLVKDONJSA-N -1 0 329.356 2.186 50 0 EEAARM O=c1c2[n-][nH]n(Cc3ccc(F)cc3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000101167224 219118170 /nfs/dbraw/zinc/11/81/70/219118170.db2.gz BVDVCIWMIXSUJE-HUUCEWRRSA-N -1 0 342.305 2.458 50 0 EEAARM O=C([O-])CCC(=O)Nc1cc(Br)c2c(c1)OCCO2 ZINC000004162311 210135912 /nfs/dbraw/zinc/13/59/12/210135912.db2.gz VELHFPGHNWHJHR-UHFFFAOYSA-N -1 0 330.134 2.024 50 0 EEAARM Cn1c(=O)c2ccc(C(=O)NCCc3cccs3)cc2[n-]c1=S ZINC000102168589 219188895 /nfs/dbraw/zinc/18/88/95/219188895.db2.gz URMNGADQXBPTQU-UHFFFAOYSA-N -1 0 345.449 2.256 50 0 EEAARM COc1cccc(NC(=O)c2ccc(-n3cnc(C(=O)[O-])c3)o2)c1 ZINC000067513727 215155643 /nfs/dbraw/zinc/15/56/43/215155643.db2.gz YKMWNHAVQVRVHO-UHFFFAOYSA-N -1 0 327.296 2.424 50 0 EEAARM CCOc1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2c(C)n[nH]c2C)cc1 ZINC000067841746 215227592 /nfs/dbraw/zinc/22/75/92/215227592.db2.gz HZPIRGZBYBMNKP-QGZVFWFLSA-N -1 0 345.399 2.300 50 0 EEAARM O=C(c1c(O)cccc1O)N1CCC[C@H](OCc2cccnc2)C1 ZINC000067982874 215266782 /nfs/dbraw/zinc/26/67/82/215266782.db2.gz YWOKIVYXCXUDIZ-AWEZNQCLSA-N -1 0 328.368 2.314 50 0 EEAARM COc1ccc(C)cc1S(=O)(=O)N(CC(=O)[O-])c1ccccc1 ZINC000000583263 209672567 /nfs/dbraw/zinc/67/25/67/209672567.db2.gz BZLBGCAZTOZVOR-UHFFFAOYSA-N -1 0 335.381 2.284 50 0 EEAARM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NCCc1ccccc1 ZINC000000425376 209587948 /nfs/dbraw/zinc/58/79/48/209587948.db2.gz OWLHWRAQPJROSI-UHFFFAOYSA-N -1 0 339.420 2.418 50 0 EEAARM O=C([O-])C[C@H]1Sc2nc3c(n2[C@]1(O)c1ccccc1)CCCC3 ZINC000001866201 304087420 /nfs/dbraw/zinc/08/74/20/304087420.db2.gz APNWEAFOSRBUGI-PBHICJAKSA-N -1 0 330.409 2.404 50 0 EEAARM O=C([O-])Cn1nccc1[C@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000426548963 304091575 /nfs/dbraw/zinc/09/15/75/304091575.db2.gz ZJMDESKTUASYKD-JTQLQIEISA-N -1 0 333.310 2.016 50 0 EEAARM COc1cc(C(=O)N2CC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)ccn1 ZINC000072433641 216228138 /nfs/dbraw/zinc/22/81/38/216228138.db2.gz ZUXFOOZZEPHLTD-CQSZACIVSA-N -1 0 340.379 2.493 50 0 EEAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)NCc3cccs3)CC2)c1 ZINC000072468833 216248554 /nfs/dbraw/zinc/24/85/54/216248554.db2.gz IUQATMKLWIQDSL-UHFFFAOYSA-N -1 0 348.428 2.039 50 0 EEAARM O=C([O-])C1(NC(=O)c2ccc(Oc3ccccc3)o2)CCOCC1 ZINC000220160745 241430517 /nfs/dbraw/zinc/43/05/17/241430517.db2.gz WTURJFNDAHJFFD-UHFFFAOYSA-N -1 0 331.324 2.436 50 0 EEAARM O=C(N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)c1cc(=O)[n-]o1 ZINC000243915045 243032883 /nfs/dbraw/zinc/03/28/83/243032883.db2.gz BMDCDJTXDAGPNG-PPHDSNJXSA-N -1 0 339.351 2.170 50 0 EEAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000020614743 212154550 /nfs/dbraw/zinc/15/45/50/212154550.db2.gz VCRNMXYILIZYSF-UHFFFAOYSA-N -1 0 328.353 2.494 50 0 EEAARM Cc1nn(Cc2ccc(C(=O)[O-])o2)c(C)c1I ZINC000020250160 212114160 /nfs/dbraw/zinc/11/41/60/212114160.db2.gz VHPSTOFGNHPMHH-UHFFFAOYSA-N -1 0 346.124 2.444 50 0 EEAARM COc1cc(Br)c([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1OC ZINC000019737366 212059536 /nfs/dbraw/zinc/05/95/36/212059536.db2.gz YOSZSKVNPCYDIV-LDYMZIIASA-N -1 0 348.218 2.255 50 0 EEAARM C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000001576233 296202534 /nfs/dbraw/zinc/20/25/34/296202534.db2.gz OYULCCKKLJPNPU-DIFFPNOSSA-N -1 0 341.363 2.359 50 0 EEAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccccc1Br ZINC000013263212 211539286 /nfs/dbraw/zinc/53/92/86/211539286.db2.gz SZCUIHXJBLXYNB-SNVBAGLBSA-N -1 0 348.218 2.077 50 0 EEAARM O=C([O-])[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1c1cccnc1 ZINC000091411875 218002032 /nfs/dbraw/zinc/00/20/32/218002032.db2.gz JCNPGDWHJUMUFR-DLBZAZTESA-N -1 0 349.390 2.432 50 0 EEAARM Cc1nc(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)[O-])C2)cs1 ZINC000091574353 218023577 /nfs/dbraw/zinc/02/35/77/218023577.db2.gz HYTIGOSJDBCKOC-LSDHHAIUSA-N -1 0 348.399 2.460 50 0 EEAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(C)nc(C)c2)C1 ZINC000091693559 218048999 /nfs/dbraw/zinc/04/89/99/218048999.db2.gz JIJVMBJBSMKWQD-SFHVURJKSA-N -1 0 334.416 2.432 50 0 EEAARM CCN(CC)S(=O)(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095354069 218288406 /nfs/dbraw/zinc/28/84/06/218288406.db2.gz KTLBJNXRVXEALX-HNNXBMFYSA-N -1 0 340.445 2.151 50 0 EEAARM Cc1cc(F)cc([C@@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)c1 ZINC000095361533 218294530 /nfs/dbraw/zinc/29/45/30/218294530.db2.gz DFZOETYVECYBFH-SFHVURJKSA-N -1 0 343.402 2.473 50 0 EEAARM CCOC(=O)N1CCN([C@H](C(=O)[O-])c2ccc(SC)cc2)CC1 ZINC000095376627 218309024 /nfs/dbraw/zinc/30/90/24/218309024.db2.gz FFORQRZATUBDMR-AWEZNQCLSA-N -1 0 338.429 2.308 50 0 EEAARM O=C([O-])c1cccc(-n2nc(C3CCOCC3)nc2[C@H]2CCOC2)c1 ZINC000096151636 218628432 /nfs/dbraw/zinc/62/84/32/218628432.db2.gz TUNRYRGAFLKRNP-AWEZNQCLSA-N -1 0 343.383 2.363 50 0 EEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000004788619 210278538 /nfs/dbraw/zinc/27/85/38/210278538.db2.gz IHTLUVVFRYYSBM-DLBZAZTESA-N -1 0 344.411 2.124 50 0 EEAARM Cc1cc2c(cc1C)O[C@H](C(=O)NCc1nc(C(=O)[O-])cs1)C2 ZINC000124206833 222391310 /nfs/dbraw/zinc/39/13/10/222391310.db2.gz SWHZVYYRWZCDCW-ZDUSSCGKSA-N -1 0 332.381 2.078 50 0 EEAARM CCc1nc2sc([C@@H](c3ccco3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855234 288637457 /nfs/dbraw/zinc/63/74/57/288637457.db2.gz MOJAVUAWNBZEFJ-CYBMUJFWSA-N -1 0 348.428 2.198 50 0 EEAARM C[C@@H]1CN([C@H](c2ccco2)c2sc3ncnn3c2[O-])C[C@@H](C)O1 ZINC000022610089 297073768 /nfs/dbraw/zinc/07/37/68/297073768.db2.gz LZBPNVJQMWNJMB-CKYFFXLPSA-N -1 0 334.401 2.288 50 0 EEAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)[C@@H]3CC34CCCC4)CC2)c1 ZINC000072434700 302398736 /nfs/dbraw/zinc/39/87/36/302398736.db2.gz XIIDLFMUWJGRRZ-AWEZNQCLSA-N -1 0 331.416 2.174 50 0 EEAARM Cc1ccc(S(=O)(=O)[N-]c2cncnc2-n2cccn2)cc1Cl ZINC000127249112 323327270 /nfs/dbraw/zinc/32/72/70/323327270.db2.gz LMZQQCJRPZJTKE-UHFFFAOYSA-N -1 0 349.803 2.425 50 0 EEAARM Cc1cc(C)n([C@H](CC(=O)N2CCc3ccccc3C2)C(=O)[O-])n1 ZINC000000315200 462554933 /nfs/dbraw/zinc/55/49/33/462554933.db2.gz HOBXHCOEJMOCTR-MRXNPFEDSA-N -1 0 327.384 2.101 50 0 EEAARM Cc1ccc(S(=O)(=O)N[C@H](Cc2cccc(F)c2)C(=O)[O-])cc1 ZINC000000985433 462575172 /nfs/dbraw/zinc/57/51/72/462575172.db2.gz VCROXSFKLWDMRR-OAHLLOKOSA-N -1 0 337.372 2.108 50 0 EEAARM Cc1ccc(C(=O)NC(=O)CSc2ncccc2C(=O)[O-])cc1 ZINC000001432242 462582728 /nfs/dbraw/zinc/58/27/28/462582728.db2.gz URYSPTUDWAIFMP-UHFFFAOYSA-N -1 0 330.365 2.137 50 0 EEAARM CCC[C@@H](NC(=O)CCc1c(C)c2ccc(O)cc2oc1=O)C(=O)[O-] ZINC000002107328 462589318 /nfs/dbraw/zinc/58/93/18/462589318.db2.gz MKYUXERGMIJHJY-CQSZACIVSA-N -1 0 347.367 2.109 50 0 biogenic EEAARM O=C(c1ccccc1)[C@H](Sc1n[nH]c(=O)[n-]c1=O)c1ccccc1 ZINC000003833219 462624876 /nfs/dbraw/zinc/62/48/76/462624876.db2.gz FMXJTFRPSIOTQR-CQSZACIVSA-N -1 0 339.376 2.175 50 0 EEAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000005140344 462646432 /nfs/dbraw/zinc/64/64/32/462646432.db2.gz JSOUCVOVUJICNR-KBPBESRZSA-N -1 0 334.391 2.365 50 0 EEAARM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1OC ZINC000007053798 462719668 /nfs/dbraw/zinc/71/96/68/462719668.db2.gz PSQZVJVFKHDQBQ-UHFFFAOYSA-N -1 0 337.353 2.203 50 0 EEAARM C[C@@H](Oc1ccccc1)C(=O)OCc1nc(=O)c2sccc2[n-]1 ZINC000007942394 462758468 /nfs/dbraw/zinc/75/84/68/462758468.db2.gz OOQLFDSLKMDIDT-SNVBAGLBSA-N -1 0 330.365 2.495 50 0 EEAARM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCc2ccccc2CC1 ZINC000117544733 462807591 /nfs/dbraw/zinc/80/75/91/462807591.db2.gz UYMVUHDQHJJKDQ-UHFFFAOYSA-N -1 0 335.381 2.076 50 0 EEAARM CS(=O)(=O)Cc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000012990846 462880466 /nfs/dbraw/zinc/88/04/66/462880466.db2.gz VNUZPZXAHYRDIU-UHFFFAOYSA-N -1 0 333.365 2.182 50 0 EEAARM Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000013468195 462894866 /nfs/dbraw/zinc/89/48/66/462894866.db2.gz ZNARMSYAXRTEKI-QWHCGFSZSA-N -1 0 337.397 2.004 50 0 EEAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000016842604 462990766 /nfs/dbraw/zinc/99/07/66/462990766.db2.gz KODBUIMRPICQNB-UHFFFAOYSA-N -1 0 343.792 2.349 50 0 EEAARM CC1(C)[C@H](C(=O)Nc2cnn(Cc3ccccc3F)c2)[C@@H]1C(=O)[O-] ZINC000071283950 463412571 /nfs/dbraw/zinc/41/25/71/463412571.db2.gz HNUKWLSBUMMNFH-UONOGXRCSA-N -1 0 331.347 2.366 50 0 EEAARM O=C([O-])c1ncoc1COCC(=O)N(Cc1ccccc1)C1CC1 ZINC000585134041 468984513 /nfs/dbraw/zinc/98/45/13/468984513.db2.gz BEPOODSCUPEUOX-UHFFFAOYSA-N -1 0 330.340 2.081 50 0 EEAARM Cc1cnn(CC(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c1 ZINC000095358583 1215348330 /nfs/dbraw/zinc/34/83/30/1215348330.db2.gz UKWPWLNUVHJROE-MRXNPFEDSA-N -1 0 327.384 2.296 50 0 EEAARM CCCCC(=O)C1=C([O-])[C@@H](C(=O)OC)[C@@H](c2ccccc2)CC1=O ZINC000100758246 219106089 /nfs/dbraw/zinc/10/60/89/219106089.db2.gz XCLFWCXQIKELRX-XOKHGSTOSA-N -1 0 330.380 2.477 50 0 biogenic EEAARM O=C1[N-]C(=O)/C(=C\c2cccn2-c2ccc(Br)cc2)N1 ZINC000004123304 210125990 /nfs/dbraw/zinc/12/59/90/210125990.db2.gz UMVRNYDSIVQAPP-XYOKQWHBSA-N -1 0 332.157 2.420 50 0 EEAARM CCOc1ccc(S(=O)(=O)NCc2cccs2)cc1C(=O)[O-] ZINC000004107593 210122298 /nfs/dbraw/zinc/12/22/98/210122298.db2.gz KECYYJSDEUQHRA-UHFFFAOYSA-N -1 0 341.410 2.324 50 0 EEAARM CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000003887427 210084988 /nfs/dbraw/zinc/08/49/88/210084988.db2.gz QRPXJCCPDGPZFH-SECBINFHSA-N -1 0 326.201 2.381 50 0 EEAARM CCn1c(=O)c2ccc(C(=O)Nc3ccncc3)cc2[n-]c1=S ZINC000102374303 219198068 /nfs/dbraw/zinc/19/80/68/219198068.db2.gz WIUHBSKNBFDGMY-UHFFFAOYSA-N -1 0 326.381 2.352 50 0 EEAARM O=C([O-])CSc1nnc(Cn2cccn2)n1-c1ccccc1Cl ZINC000067770842 215207322 /nfs/dbraw/zinc/20/73/22/215207322.db2.gz RARFZHXDKSXKHJ-UHFFFAOYSA-N -1 0 349.803 2.342 50 0 EEAARM CCn1c(=O)c2ccc(C(=O)NC3CCSCC3)cc2[n-]c1=S ZINC000103469610 219304396 /nfs/dbraw/zinc/30/43/96/219304396.db2.gz PIJIVPVGFVWRDC-UHFFFAOYSA-N -1 0 349.481 2.331 50 0 EEAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)/C=C/c3ccccc3)CC2)c1 ZINC000072454226 216240875 /nfs/dbraw/zinc/24/08/75/216240875.db2.gz NSKSGGCCFGGNNL-BQYQJAHWSA-N -1 0 339.395 2.307 50 0 EEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCSC(=O)C1CC1 ZINC000095918246 304206385 /nfs/dbraw/zinc/20/63/85/304206385.db2.gz HLGGBJSDEIYHTP-CQSZACIVSA-N -1 0 333.409 2.084 50 0 EEAARM O=C([O-])[C@H]1c2[nH]cnc2CCN1Cc1cnc(C2CCCCC2)nc1 ZINC000072428876 304212171 /nfs/dbraw/zinc/21/21/71/304212171.db2.gz QDJCWHRKOZPAGB-MRXNPFEDSA-N -1 0 341.415 2.431 50 0 EEAARM O=C([O-])C[C@@H](NS(=O)(=O)c1ccccc1F)c1ccc(F)cc1 ZINC000009579324 211104411 /nfs/dbraw/zinc/10/44/11/211104411.db2.gz KBLHKJYCAKOETK-CYBMUJFWSA-N -1 0 341.335 2.459 50 0 EEAARM CCOc1ccc2nc(Nc3nc([O-])c(C)c(=O)[nH]3)nc(C)c2c1 ZINC000009144504 211044283 /nfs/dbraw/zinc/04/42/83/211044283.db2.gz DXKIMEMQDKLBIY-UHFFFAOYSA-N -1 0 327.344 2.178 50 0 EEAARM Cc1ccnn1CC(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095388795 218320873 /nfs/dbraw/zinc/32/08/73/218320873.db2.gz LAGPVIJKVOJJKM-INIZCTEOSA-N -1 0 327.384 2.296 50 0 EEAARM O=C([O-])c1cc(I)ccc1NC(=O)C1CC1 ZINC000006240624 210605833 /nfs/dbraw/zinc/60/58/33/210605833.db2.gz BCUWEEUWHXQCRG-UHFFFAOYSA-N -1 0 331.109 2.338 50 0 EEAARM O=C([O-])c1ccc(Cn2nnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000000148786 304244686 /nfs/dbraw/zinc/24/46/86/304244686.db2.gz JKKOUYGBFCDGQI-UHFFFAOYSA-N -1 0 341.392 2.478 50 0 EEAARM Cc1nc2ccccc2n1C[C@@H](O)COc1cccc(C(=O)[O-])c1 ZINC000004905092 210318978 /nfs/dbraw/zinc/31/89/78/210318978.db2.gz METVYYWWCIYYDH-CQSZACIVSA-N -1 0 326.352 2.483 50 0 EEAARM Cc1cc(-n2cc(C(=O)[O-])c3c2[C@H](C(F)(F)F)CC(=O)N3)no1 ZINC000066087673 301034840 /nfs/dbraw/zinc/03/48/40/301034840.db2.gz MRBNAEYLVBXFNG-SSDOTTSWSA-N -1 0 329.234 2.460 50 0 EEAARM Cc1cc(I)cc2c(O)c(C(=O)[O-])cnc12 ZINC000000151642 301326298 /nfs/dbraw/zinc/32/62/98/301326298.db2.gz UFLXLWRIYLRXAQ-UHFFFAOYSA-N -1 0 329.093 2.139 50 0 EEAARM Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000000139072 301686121 /nfs/dbraw/zinc/68/61/21/301686121.db2.gz AIQIQJGSMJPTIG-INIZCTEOSA-N -1 0 331.393 2.195 50 0 EEAARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)c1 ZINC000000280763 462552613 /nfs/dbraw/zinc/55/26/13/462552613.db2.gz GBXPFSWIGUTMPS-OQLLNIDSSA-N -1 0 338.319 2.067 50 0 EEAARM O=c1c2ccc(Cl)cc2[n-]c(=S)n1CCCN1CCOCC1 ZINC000000425275 462561427 /nfs/dbraw/zinc/56/14/27/462561427.db2.gz YGXFWZQOIBYSSJ-UHFFFAOYSA-N -1 0 339.848 2.435 50 0 EEAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000002873605 462606380 /nfs/dbraw/zinc/60/63/80/462606380.db2.gz LHAWZKAUBPEWOL-QMMMGPOBSA-N -1 0 338.212 2.479 50 0 EEAARM C[C@]1(C(=O)Nc2ccccc2C(=O)[O-])Cc2ccccc2C(=O)O1 ZINC000004195556 462629129 /nfs/dbraw/zinc/62/91/29/462629129.db2.gz BJBBTJYRNGZMGF-GOSISDBHSA-N -1 0 325.320 2.495 50 0 EEAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)OC)n(C)c1 ZINC000006777827 462704175 /nfs/dbraw/zinc/70/41/75/462704175.db2.gz PADKPMABKQVLOM-UHFFFAOYSA-N -1 0 338.385 2.011 50 0 EEAARM CCn1nccc1-c1nnc(SCC(=O)[O-])n1-c1ccccc1 ZINC000065427682 462769751 /nfs/dbraw/zinc/76/97/51/462769751.db2.gz ACKZLFBYTRVKFL-UHFFFAOYSA-N -1 0 329.385 2.327 50 0 EEAARM Cc1nc2ccccc2c(=O)n1[N-]C(=O)c1cnc2ccccc2n1 ZINC000012857576 462871804 /nfs/dbraw/zinc/87/18/04/462871804.db2.gz AGQWRLWOGMXJMW-UHFFFAOYSA-N -1 0 331.335 2.032 50 0 EEAARM COc1ccccc1CNC(=O)[C@H](C)Oc1ccccc1C(=O)[O-] ZINC000013309048 462889294 /nfs/dbraw/zinc/88/92/94/462889294.db2.gz GONAGLFAQWMRCF-LBPRGKRZSA-N -1 0 329.352 2.477 50 0 EEAARM CCc1c(C)sc2[n-]c(=S)n(CCN3CCOCC3)c(=O)c12 ZINC000017071144 462994544 /nfs/dbraw/zinc/99/45/44/462994544.db2.gz FDCMUUWNWJKZEJ-UHFFFAOYSA-N -1 0 339.486 2.324 50 0 EEAARM O=C([O-])c1cccc(NC(=O)c2cc3ccc(O)cc3oc2=O)c1O ZINC000095471147 463090734 /nfs/dbraw/zinc/09/07/34/463090734.db2.gz LYIYKALVVSGXJK-UHFFFAOYSA-N -1 0 341.275 2.155 50 0 EEAARM Cc1ccc(N2C(=O)C[C@H](Nc3ccc(CC(=O)[O-])cc3)C2=O)cc1 ZINC000025539498 463128998 /nfs/dbraw/zinc/12/89/98/463128998.db2.gz PFVGTNNYMJRKEY-INIZCTEOSA-N -1 0 338.363 2.366 50 0 EEAARM Nc1ccnc(N2CCC[C@@](Cc3ccc(F)cc3)(C(=O)[O-])C2)n1 ZINC000071662279 463419833 /nfs/dbraw/zinc/41/98/33/463419833.db2.gz AGSIIGVNCLKEMJ-KRWDZBQOSA-N -1 0 330.363 2.112 50 0 EEAARM CN(CCC(=O)[O-])C(=O)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000033517854 463422305 /nfs/dbraw/zinc/42/23/05/463422305.db2.gz CZUFFTGJGNUUGF-UHFFFAOYSA-N -1 0 338.367 2.026 50 0 EEAARM COc1cccc(N2CCN(Cc3ccc(C(=O)[O-])cc3)CC2=O)c1 ZINC000082092158 463513336 /nfs/dbraw/zinc/51/33/36/463513336.db2.gz FEOVBWYNAOODQY-UHFFFAOYSA-N -1 0 340.379 2.242 50 0 EEAARM O=C(OCCF)c1ccc2c(=O)n(Cc3ccco3)c(=S)[n-]c2c1 ZINC000125499716 463550957 /nfs/dbraw/zinc/55/09/57/463550957.db2.gz HIYMEYWSRMDHNP-UHFFFAOYSA-N -1 0 348.355 2.453 50 0 EEAARM Cc1ccc(CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1F ZINC000244914778 464465492 /nfs/dbraw/zinc/46/54/92/464465492.db2.gz BDQZIVNKGPGKIN-UHFFFAOYSA-N -1 0 348.374 2.037 50 0 EEAARM COc1ccc([C@@H](NC(=O)c2cccc(F)c2[O-])[C@H]2C[C@@H](O)C2)cn1 ZINC000252537283 464981126 /nfs/dbraw/zinc/98/11/26/464981126.db2.gz KWUXCPDMBIPFON-BFQNTYOBSA-N -1 0 346.358 2.177 50 0 EEAARM CSCC[C@H](NC(=O)C1([NH+]2CCCC2)CCCCC1)C(=O)[O-] ZINC000426396387 467141842 /nfs/dbraw/zinc/14/18/42/467141842.db2.gz IEULOJNIYVXFLZ-ZDUSSCGKSA-N -1 0 328.478 2.108 50 0 EEAARM CCOc1ccc(Cl)cc1CN(C)C(=O)NC1(C(=O)[O-])CC1 ZINC000584888946 468957005 /nfs/dbraw/zinc/95/70/05/468957005.db2.gz JBOFZCZXMFYWIW-UHFFFAOYSA-N -1 0 326.780 2.497 50 0 EEAARM COCCC(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC000585134435 468985989 /nfs/dbraw/zinc/98/59/89/468985989.db2.gz STJLNEBUBXPHRQ-UHFFFAOYSA-N -1 0 334.191 2.088 50 0 EEAARM CCCCC(=O)C1=C([O-])[C@H](C(=O)OC)[C@H](c2ccccc2)CC1=O ZINC000229764487 534956558 /nfs/dbraw/zinc/95/65/58/534956558.db2.gz XCLFWCXQIKELRX-IAOVAPTHSA-N -1 0 330.380 2.477 50 0 biogenic EEAARM CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCC(=O)[O-] ZINC000046086239 213779761 /nfs/dbraw/zinc/77/97/61/213779761.db2.gz HEHVNXDIGCEEGO-CYBMUJFWSA-N -1 0 340.807 2.075 50 0 EEAARM O=c1c2[n-][nH]n(-c3ccc(F)cc3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000102818202 219233003 /nfs/dbraw/zinc/23/30/03/219233003.db2.gz GRXHHCZVWQPTAQ-ZIAGYGMSSA-N -1 0 328.278 2.463 50 0 EEAARM O=C([O-])CCC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc2[nH]ccc21 ZINC000019701942 304044593 /nfs/dbraw/zinc/04/45/93/304044593.db2.gz CKBVXYJEFWFZOL-GOSISDBHSA-N -1 0 338.367 2.230 50 0 biogenic EEAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCSCC2)c2cc(C(=O)[O-])ccc21 ZINC000036360313 213089321 /nfs/dbraw/zinc/08/93/21/213089321.db2.gz XCJMMAZQYQJTRK-CQSZACIVSA-N -1 0 334.397 2.051 50 0 EEAARM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000035099196 213008470 /nfs/dbraw/zinc/00/84/70/213008470.db2.gz MOAAFKDVLMILNT-UHFFFAOYSA-N -1 0 325.777 2.494 50 0 EEAARM Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000000226479 209497142 /nfs/dbraw/zinc/49/71/42/209497142.db2.gz QENMGDJRQBEQBL-LBPRGKRZSA-N -1 0 326.352 2.450 50 0 EEAARM O=C([O-])CCc1cc2n(n1)CCCN(c1nccc3occc31)C2 ZINC000072475805 216252727 /nfs/dbraw/zinc/25/27/27/216252727.db2.gz LMSQCWHYNZDPKI-UHFFFAOYSA-N -1 0 326.356 2.452 50 0 EEAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000003865027 304106283 /nfs/dbraw/zinc/10/62/83/304106283.db2.gz BFYXCFKAZNUOEO-NSHDSACASA-N -1 0 348.218 2.077 50 0 EEAARM CN(CCCOc1ccccc1Cl)C(=O)NC1(C(=O)[O-])CC1 ZINC000426431391 241285640 /nfs/dbraw/zinc/28/56/40/241285640.db2.gz SPBNMJMIPVHQDV-UHFFFAOYSA-N -1 0 326.780 2.368 50 0 EEAARM O=C([O-])c1ccc(CNC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000012992855 211502505 /nfs/dbraw/zinc/50/25/05/211502505.db2.gz IVDCLUZNALAFBB-UHFFFAOYSA-N -1 0 342.376 2.359 50 0 EEAARM Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2ccco2)c3=O)cc1C ZINC000010252164 211157578 /nfs/dbraw/zinc/15/75/78/211157578.db2.gz WQTWPFFXGCRKBT-UHFFFAOYSA-N -1 0 349.350 2.176 50 0 EEAARM COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000009315987 211066880 /nfs/dbraw/zinc/06/68/80/211066880.db2.gz XPCAYJJVTBETOX-UHFFFAOYSA-N -1 0 349.364 2.281 50 0 EEAARM Cc1nonc1CC(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095357679 218290879 /nfs/dbraw/zinc/29/08/79/218290879.db2.gz BERAEZLCYGBMTL-CQSZACIVSA-N -1 0 329.356 2.025 50 0 EEAARM Cc1ccn(CC(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)n1 ZINC000095369985 218303299 /nfs/dbraw/zinc/30/32/99/218303299.db2.gz CBOAYPSVNZRJDI-MRXNPFEDSA-N -1 0 327.384 2.296 50 0 EEAARM CC(C)Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)n(C)n1 ZINC000095503703 218417443 /nfs/dbraw/zinc/41/74/43/218417443.db2.gz YKAGDUXMDNQPEG-HNNXBMFYSA-N -1 0 333.363 2.313 50 0 EEAARM O=C([O-])c1cccc(N2CC[C@]3(C2)CCCN(CC2CCC2)C3=O)n1 ZINC000091518915 304262510 /nfs/dbraw/zinc/26/25/10/304262510.db2.gz DBBGSMPKDVMTFT-IBGZPJMESA-N -1 0 343.427 2.399 50 0 EEAARM COC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC000002126135 274003611 /nfs/dbraw/zinc/00/36/11/274003611.db2.gz OTCIBDPKBRIZAJ-LFIBNONCSA-N -1 0 336.347 2.243 50 0 EEAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1cccc(Br)c1 ZINC000002757219 278075279 /nfs/dbraw/zinc/07/52/79/278075279.db2.gz RFZXUKJICMWRJI-WDEREUQCSA-N -1 0 330.203 2.496 50 0 EEAARM CC(=O)c1[nH]c(C)c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1C ZINC000244858659 278239745 /nfs/dbraw/zinc/23/97/45/278239745.db2.gz VPQMOORAIULNQC-OAHLLOKOSA-N -1 0 340.379 2.486 50 0 EEAARM CN1c2ccccc2C2(CCN(c3ncccc3C(=O)[O-])CC2)C1=O ZINC000072163854 290320537 /nfs/dbraw/zinc/32/05/37/290320537.db2.gz AESMVMGJEVGCBF-UHFFFAOYSA-N -1 0 337.379 2.294 50 0 EEAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCOC2(CCOCC2)C1 ZINC000125826865 304541997 /nfs/dbraw/zinc/54/19/97/304541997.db2.gz AEFDHBIBAWEJSW-UHFFFAOYSA-N -1 0 334.397 2.138 50 0 EEAARM CN(C(=O)OCc1ccccc1)[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002560785 462595576 /nfs/dbraw/zinc/59/55/76/462595576.db2.gz NUIFLNFKKJEVGU-ZDUSSCGKSA-N -1 0 337.372 2.440 50 0 EEAARM COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@@H](c1cccnc1)N(C)C2=O ZINC000000211541 462548677 /nfs/dbraw/zinc/54/86/77/462548677.db2.gz RXUFHJXDTXEYER-JKSUJKDBSA-N -1 0 342.351 2.094 50 0 EEAARM CC[C@H](C)[C@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)[O-] ZINC000001750398 462586652 /nfs/dbraw/zinc/58/66/52/462586652.db2.gz DTHHZOZRIKDHGM-BTDLBPIBSA-N -1 0 347.367 2.096 50 0 biogenic EEAARM CSCC[C@H](NC(=O)NCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000002098904 462588452 /nfs/dbraw/zinc/58/84/52/462588452.db2.gz VNCIKPIXOOQEIW-AWEZNQCLSA-N -1 0 335.429 2.216 50 0 biogenic EEAARM CCCN(CCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccccc1 ZINC000002033841 462589358 /nfs/dbraw/zinc/58/93/58/462589358.db2.gz DGMKFQYCZXERLX-HNNXBMFYSA-N -1 0 334.416 2.298 50 0 in-man EEAARM Cc1ccc(NC(=O)N2CCC[C@H](Cn3cc(C(=O)[O-])nn3)C2)cc1 ZINC000065375705 462759839 /nfs/dbraw/zinc/75/98/39/462759839.db2.gz MTGZYKZRZPHJFU-ZDUSSCGKSA-N -1 0 343.387 2.229 50 0 EEAARM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cn1 ZINC000008105972 462767170 /nfs/dbraw/zinc/76/71/70/462767170.db2.gz GJSVPTJYFUFNJD-UHFFFAOYSA-N -1 0 336.369 2.206 50 0 EEAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)ccc1F ZINC000012532555 462854469 /nfs/dbraw/zinc/85/44/69/462854469.db2.gz LQKAXDRPWIMQEC-UHFFFAOYSA-N -1 0 335.316 2.201 50 0 EEAARM COc1ccc(OCC(=O)NCc2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000013086725 462884985 /nfs/dbraw/zinc/88/49/85/462884985.db2.gz BCYUYDPACNZHSX-UHFFFAOYSA-N -1 0 333.315 2.228 50 0 EEAARM O=C(/C=C/c1ccc2c(c1)OCCO2)NC1(C(=O)[O-])CCCCC1 ZINC000013168455 462886957 /nfs/dbraw/zinc/88/69/57/462886957.db2.gz DYZUQMFDTNPJFO-FNORWQNLSA-N -1 0 331.368 2.375 50 0 EEAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1F ZINC000013358623 462889988 /nfs/dbraw/zinc/88/99/88/462889988.db2.gz XKYVZWWDUIFEJX-UHFFFAOYSA-N -1 0 325.317 2.333 50 0 EEAARM O=C(COc1ccc(F)cc1)Nn1c(=S)[n-]nc1-c1ccco1 ZINC000014120570 462912760 /nfs/dbraw/zinc/91/27/60/462912760.db2.gz STWVBFLMHQOHMO-UHFFFAOYSA-N -1 0 334.332 2.489 50 0 EEAARM CCC(CC)S(=O)(=O)[N-]C(=O)c1cccc(-c2nnc(C)o2)c1 ZINC000120303413 462983777 /nfs/dbraw/zinc/98/37/77/462983777.db2.gz HQTLLGSQRBEGAB-UHFFFAOYSA-N -1 0 337.401 2.293 50 0 EEAARM COc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1C(=O)[O-] ZINC000016623920 462984980 /nfs/dbraw/zinc/98/49/80/462984980.db2.gz JFTOQPFYLWVUBJ-GHMZBOCLSA-N -1 0 327.402 2.060 50 0 EEAARM COc1ccc(Cc2n[n-]c(NCCc3ccccc3)nc2=O)cc1 ZINC000016777393 462990122 /nfs/dbraw/zinc/99/01/22/462990122.db2.gz QQELFXWVHAPPAL-UHFFFAOYSA-N -1 0 336.395 2.419 50 0 EEAARM O=C([O-])c1ccccc1NC(=O)CC(=O)NCCc1ccccc1 ZINC000019911413 463022497 /nfs/dbraw/zinc/02/24/97/463022497.db2.gz XZYUEWQPLCQBNC-UHFFFAOYSA-N -1 0 326.352 2.072 50 0 EEAARM COc1ncc([N-]S(=O)(=O)c2cccc(C)c2)c(N2CCCC2)n1 ZINC000096121396 463181871 /nfs/dbraw/zinc/18/18/71/463181871.db2.gz IDIFQMZFJDOBPG-UHFFFAOYSA-N -1 0 348.428 2.195 50 0 EEAARM CC(C)(C)c1cc2nc3c(c(=O)n2[n-]1)CN(Cc1ccccc1)C3=O ZINC000100229503 463373365 /nfs/dbraw/zinc/37/33/65/463373365.db2.gz ISJQOUBAAIQUFV-UHFFFAOYSA-N -1 0 336.395 2.476 50 0 EEAARM CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(OC)cc2)c(=O)[n-]1 ZINC000032778627 463394100 /nfs/dbraw/zinc/39/41/00/463394100.db2.gz WLJXUJPOSAOKLD-SNVBAGLBSA-N -1 0 348.428 2.260 50 0 EEAARM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)ccc1F ZINC000041091252 463466933 /nfs/dbraw/zinc/46/69/33/463466933.db2.gz KTOQBPDCCDUFNV-UHFFFAOYSA-N -1 0 325.317 2.339 50 0 EEAARM Cc1cccc(Oc2ccc(C(=O)NCCc3n[nH]c(=O)[n-]3)cc2)c1 ZINC000223726566 464146999 /nfs/dbraw/zinc/14/69/99/464146999.db2.gz JJMOCCFACQKKJN-UHFFFAOYSA-N -1 0 338.367 2.171 50 0 EEAARM Cc1c(Cn2cc(Oc3ccccc3)c(=O)c(C(=O)[O-])c2)cnn1C ZINC000055341341 1246547532 /nfs/dbraw/zinc/54/75/32/1246547532.db2.gz VMDNARRDQGSNFM-UHFFFAOYSA-N -1 0 339.351 2.429 50 0 EEAARM COc1ccc(F)cc1[C@H](C(=O)[O-])N(C)Cc1nncn1C(C)C ZINC001506419953 1114601734 /nfs/dbraw/zinc/60/17/34/1114601734.db2.gz NQPHEYDBSQFARI-OAHLLOKOSA-N -1 0 336.367 2.264 50 0 EEAARM O=C([O-])CNc1ccccc1C(=O)NC[C@H]1OCCc2ccccc21 ZINC000055183140 214285557 /nfs/dbraw/zinc/28/55/57/214285557.db2.gz YSTNWYDQRBETCE-QGZVFWFLSA-N -1 0 340.379 2.227 50 0 EEAARM O=c1c2[n-][nH]n(-c3ccc(F)cc3)c=2c(=O)n1-c1cccc(F)c1 ZINC000102820825 219233183 /nfs/dbraw/zinc/23/31/83/219233183.db2.gz UEVUVJDVPTYUIB-ZIAGYGMSSA-N -1 0 328.278 2.463 50 0 EEAARM CC(C)(C)c1ccc(C(=O)NCCC(=O)NCCCC(=O)[O-])cc1 ZINC000041157351 213428675 /nfs/dbraw/zinc/42/86/75/213428675.db2.gz IWNALDGAXPLWSR-UHFFFAOYSA-N -1 0 334.416 2.085 50 0 EEAARM Cc1ccc(S(=O)(=O)Nc2cnc(N(C)C)c(C(=O)[O-])c2)c(C)c1 ZINC000035397722 213026404 /nfs/dbraw/zinc/02/64/04/213026404.db2.gz KVHLWMCPWDLOTN-UHFFFAOYSA-N -1 0 349.412 2.263 50 0 EEAARM O=C([O-])C[C@]12CSc3[nH]c(=O)sc3[C@H]1c1ccccc1OC2=O ZINC000003651774 304087667 /nfs/dbraw/zinc/08/76/67/304087667.db2.gz WWOHJZXAWSYQOP-BMIGLBTASA-N -1 0 349.389 2.054 50 0 EEAARM Cc1nc2[n-]c(NC(=O)[C@H](C)Oc3ccccc3)nn2c(=O)c1Cl ZINC000021171325 212214079 /nfs/dbraw/zinc/21/40/79/212214079.db2.gz CEKPOGLTXWYRCF-VIFPVBQESA-N -1 0 347.762 2.198 50 0 EEAARM COc1ccccc1[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013309346 211543241 /nfs/dbraw/zinc/54/32/41/211543241.db2.gz QXCUVWGJOQADSB-SECBINFHSA-N -1 0 341.410 2.494 50 0 EEAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1c1cccc(F)c1 ZINC000091452780 218008922 /nfs/dbraw/zinc/00/89/22/218008922.db2.gz WIFUQQJTTZVMHF-UONOGXRCSA-N -1 0 343.358 2.367 50 0 EEAARM Cc1ccncc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000091644661 218037829 /nfs/dbraw/zinc/03/78/29/218037829.db2.gz DGNJROYNXYNMNA-JKSUJKDBSA-N -1 0 328.343 2.470 50 0 EEAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CN2CCc3ccccc3C2)C1 ZINC000091848067 218076033 /nfs/dbraw/zinc/07/60/33/218076033.db2.gz GLKNWSDTVJNRES-LJQANCHMSA-N -1 0 330.428 2.148 50 0 EEAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CCCn3cncn3)C2)cc1 ZINC000095367933 218299863 /nfs/dbraw/zinc/29/98/63/218299863.db2.gz JXEHSGZIAIEYBN-INIZCTEOSA-N -1 0 342.399 2.163 50 0 EEAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000004809522 210281075 /nfs/dbraw/zinc/28/10/75/210281075.db2.gz VBMCYMCUHNYDKT-UHFFFAOYSA-N -1 0 334.397 2.293 50 0 EEAARM CC(C)C(=O)[N-]C(=O)c1c(NC(=O)C(C)C)onc1-c1ccccn1 ZINC000004771734 210275717 /nfs/dbraw/zinc/27/57/17/210275717.db2.gz FQLIRFUTSLCMJD-UHFFFAOYSA-N -1 0 344.371 2.244 50 0 EEAARM O=C([O-])Cn1nc(C2(c3ccccc3)CC2)nc1-c1ccc(CO)o1 ZINC000097594955 219036967 /nfs/dbraw/zinc/03/69/67/219036967.db2.gz UNACJQDSVRZKME-UHFFFAOYSA-N -1 0 339.351 2.195 50 0 EEAARM O=C([O-])c1cccnc1S[C@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000019878894 304272586 /nfs/dbraw/zinc/27/25/86/304272586.db2.gz JMXYACYSUYKSNR-LBPRGKRZSA-N -1 0 334.397 2.332 50 0 EEAARM Cc1cc(C(=O)N2CCC(c3cc(CC(=O)[O-])n[nH]3)CC2)c(C)o1 ZINC000299776034 258086603 /nfs/dbraw/zinc/08/66/03/258086603.db2.gz JYLVVIYQRFWBRY-UHFFFAOYSA-N -1 0 331.372 2.266 50 0 EEAARM CN(C[C@@H]1COCCO1)c1nc(-c2ccsc2)ccc1C(=O)[O-] ZINC000299799481 258102918 /nfs/dbraw/zinc/10/29/18/258102918.db2.gz RXFJYPZZXWUWCL-GFCCVEGCSA-N -1 0 334.397 2.360 50 0 EEAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCOc2ccccc21 ZINC000030581662 301534716 /nfs/dbraw/zinc/53/47/16/301534716.db2.gz AQCYVLCNEAUVCA-UHFFFAOYSA-N -1 0 333.365 2.281 50 0 EEAARM Cc1nc2sc([C@H](c3cccs3)N3CCOCC3)c([O-])n2n1 ZINC000004121056 302685718 /nfs/dbraw/zinc/68/57/18/302685718.db2.gz WEZBSDFESOJVAM-NSHDSACASA-N -1 0 336.442 2.288 50 0 EEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C(F)(F)F ZINC000008379922 441091380 /nfs/dbraw/zinc/09/13/80/441091380.db2.gz IMHHCQAGGTXADS-UHFFFAOYSA-N -1 0 345.302 2.383 50 0 EEAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)nc(C)n1 ZINC000000204669 462547271 /nfs/dbraw/zinc/54/72/71/462547271.db2.gz BNZXLBSZLNLWNF-UHFFFAOYSA-N -1 0 346.412 2.243 50 0 EEAARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cnn(-c2ccccc2)c1 ZINC000000451113 462563515 /nfs/dbraw/zinc/56/35/15/462563515.db2.gz GPFCMGLXSUUZOK-GZTJUZNOSA-N -1 0 330.347 2.334 50 0 EEAARM COc1ccccc1OCC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000000544513 462569863 /nfs/dbraw/zinc/56/98/63/462569863.db2.gz YYXXZDLLJTUYAV-UHFFFAOYSA-N -1 0 331.324 2.176 50 0 EEAARM COC(=O)c1ccccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000000610113 462572374 /nfs/dbraw/zinc/57/23/74/462572374.db2.gz RLBMOJVFRCGXLJ-UHFFFAOYSA-N -1 0 328.324 2.493 50 0 EEAARM O=C1[N-]C(=O)C2(COC(c3cccc(Br)c3)OC2)S1 ZINC000000989926 462575011 /nfs/dbraw/zinc/57/50/11/462575011.db2.gz LCJOZZRUPQYHNU-UHFFFAOYSA-N -1 0 344.186 2.216 50 0 EEAARM O=C([O-])CC[C@@H](CNS(=O)(=O)c1ccc(F)cc1)C(F)(F)F ZINC000001802368 462588073 /nfs/dbraw/zinc/58/80/73/462588073.db2.gz LPIUZVCZRBCQPN-QMMMGPOBSA-N -1 0 343.298 2.147 50 0 EEAARM CCCN(CCC)C(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccccc1 ZINC000002033840 462589241 /nfs/dbraw/zinc/58/92/41/462589241.db2.gz DGMKFQYCZXERLX-OAHLLOKOSA-N -1 0 334.416 2.298 50 0 in-man EEAARM COc1cc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c(C(C)=O)cc1OC ZINC000062001789 462605458 /nfs/dbraw/zinc/60/54/58/462605458.db2.gz OMVMCTYUTSSWGI-KBPBESRZSA-N -1 0 335.356 2.202 50 0 biogenic EEAARM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)cc1 ZINC000006887532 462710299 /nfs/dbraw/zinc/71/02/99/462710299.db2.gz ODXXEBRORHBAAN-UHFFFAOYSA-N -1 0 345.380 2.393 50 0 EEAARM CC(=O)N[C@@H](CC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000013091970 462884639 /nfs/dbraw/zinc/88/46/39/462884639.db2.gz QTULYXYKUPBSIJ-KRWDZBQOSA-N -1 0 340.379 2.269 50 0 EEAARM 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/nfs/dbraw/zinc/43/24/12/463432412.db2.gz BSCSRBCKELGGGQ-NSHDSACASA-N -1 0 342.380 2.012 50 0 EEAARM O=S(=O)([N-]c1cnn(C[C@@H]2CCCCO2)c1)c1cccs1 ZINC000390829025 467412679 /nfs/dbraw/zinc/41/26/79/467412679.db2.gz WBMJREJCIJGVED-LBPRGKRZSA-N -1 0 327.431 2.315 50 0 EEAARM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)CC2CCCCCC2)CC1 ZINC000585134317 468986084 /nfs/dbraw/zinc/98/60/84/468986084.db2.gz MXXIRUSRGACWHE-JOCHJYFZSA-N -1 0 329.462 2.171 50 0 EEAARM COc1ccc(CC(=O)NC(C)(C)c2cc(C(=O)[O-])on2)cc1F ZINC000585134432 468986225 /nfs/dbraw/zinc/98/62/25/468986225.db2.gz SOHHEKQCEOBUDL-UHFFFAOYSA-N -1 0 336.319 2.115 50 0 EEAARM C[C@@H](NC(=O)CCn1ccc2c1cccc2Br)C(=O)[O-] ZINC000206415446 1180087095 /nfs/dbraw/zinc/08/70/95/1180087095.db2.gz DNUWQJPKIHTCED-SECBINFHSA-N -1 0 339.189 2.383 50 0 EEAARM CCN(Cc1nc(COC)no1)[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000055108657 214274403 /nfs/dbraw/zinc/27/44/03/214274403.db2.gz BQYXATBFVVNGJJ-HNNXBMFYSA-N -1 0 337.351 2.311 50 0 EEAARM Cc1nc(-n2[n-]c3c(c2=O)CCCC3)[nH]c(=O)c1Cc1ccccc1 ZINC000100526975 219101437 /nfs/dbraw/zinc/10/14/37/219101437.db2.gz SJLBEKOJGLHTDH-UHFFFAOYSA-N -1 0 336.395 2.027 50 0 EEAARM CCOCCc1nnc([N-]S(=O)(=O)Cc2ccccc2)s1 ZINC000004384600 210185590 /nfs/dbraw/zinc/18/55/90/210185590.db2.gz NITHHTDBNHEKFJ-UHFFFAOYSA-N -1 0 327.431 2.059 50 0 EEAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000003394896 210026933 /nfs/dbraw/zinc/02/69/33/210026933.db2.gz RCCBBQHLTAYDIE-UHFFFAOYSA-N -1 0 349.364 2.347 50 0 EEAARM COc1ccc(-c2nc(Cn3nnc(C(=O)[O-])c3C)c(C)o2)cc1 ZINC000067225239 215125726 /nfs/dbraw/zinc/12/57/26/215125726.db2.gz LNMKXJVJNWHSQW-UHFFFAOYSA-N -1 0 328.328 2.305 50 0 EEAARM O=C([O-])C1(O)CCN(C(=O)[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000071735778 215800145 /nfs/dbraw/zinc/80/01/45/215800145.db2.gz YCCVQUVETPRHFF-INIZCTEOSA-N -1 0 331.412 2.399 50 0 EEAARM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000032585341 212812232 /nfs/dbraw/zinc/81/22/32/212812232.db2.gz 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ZINC000015728262 211846837 /nfs/dbraw/zinc/84/68/37/211846837.db2.gz MKVMHTMYFWWJMG-UHFFFAOYSA-N -1 0 345.380 2.393 50 0 EEAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]13)O2 ZINC000003882448 304211927 /nfs/dbraw/zinc/21/19/27/304211927.db2.gz LAAHNNVDJMNWOR-NWJSVONSSA-N -1 0 339.269 2.076 50 0 EEAARM CCCOc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1C ZINC000011566083 211224010 /nfs/dbraw/zinc/22/40/10/211224010.db2.gz ZDQSNHLATDSLHR-UHFFFAOYSA-N -1 0 341.429 2.269 50 0 EEAARM CN1C(=O)Cc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000009572738 211102335 /nfs/dbraw/zinc/10/23/35/211102335.db2.gz IMKKNAGRUYEEFJ-UHFFFAOYSA-N -1 0 338.335 2.285 50 0 EEAARM O=C([O-])c1coc(C[N@@H+]2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)n1 ZINC000095358897 218292253 /nfs/dbraw/zinc/29/22/53/218292253.db2.gz YAXQLLHCYHVICZ-ZDUSSCGKSA-N -1 0 330.340 2.451 50 0 EEAARM CSCC[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)[O-] ZINC000095364363 218296452 /nfs/dbraw/zinc/29/64/52/218296452.db2.gz 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CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000000433084 462563865 /nfs/dbraw/zinc/56/38/65/462563865.db2.gz JJVRLEAYQATWGU-UHFFFAOYSA-N -1 0 338.429 2.420 50 0 EEAARM CCOc1cc(/C=C2/SC(=O)N(CCC(=O)[O-])C2=O)ccc1O ZINC000002244769 462591442 /nfs/dbraw/zinc/59/14/42/462591442.db2.gz GXJJFITTYZBTOF-XYOKQWHBSA-N -1 0 337.353 2.302 50 0 EEAARM COc1cccc(C[C@H](C(=O)Nc2cccc(C)c2)c2nnn[n-]2)c1 ZINC000006556981 462690371 /nfs/dbraw/zinc/69/03/71/462690371.db2.gz WMCICVPDSTZKDS-INIZCTEOSA-N -1 0 337.383 2.482 50 0 EEAARM CC(=O)N[C@H](CSc1cc(C)nc2ccc(N(C)C)cc21)C(=O)[O-] ZINC000006719247 462699500 /nfs/dbraw/zinc/69/95/00/462699500.db2.gz YSANMDITLTWBRL-OAHLLOKOSA-N -1 0 347.440 2.291 50 0 EEAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)c(C)c1 ZINC000006887543 462710645 /nfs/dbraw/zinc/71/06/45/462710645.db2.gz BDUQFAQOBBGAKK-UHFFFAOYSA-N -1 0 345.380 2.448 50 0 EEAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CCNC(=O)c2ccco2)cc1 ZINC000008270944 462775911 /nfs/dbraw/zinc/77/59/11/462775911.db2.gz FKLGTLWPLMCTKS-CQSZACIVSA-N -1 0 344.367 2.040 50 0 EEAARM CC(NNc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000009331059 462800709 /nfs/dbraw/zinc/80/07/09/462800709.db2.gz XFAWPJKYQZOKKD-NTCAYCPXSA-N -1 0 336.351 2.160 50 0 EEAARM O=C([O-])c1ccc(CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000013092177 462884746 /nfs/dbraw/zinc/88/47/46/462884746.db2.gz PGEWKWGCBGESTQ-UHFFFAOYSA-N -1 0 338.363 2.442 50 0 EEAARM COc1ccc(OCC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013442715 462893320 /nfs/dbraw/zinc/89/33/20/462893320.db2.gz KEZOMBPQGYIXSQ-UHFFFAOYSA-N -1 0 329.352 2.131 50 0 EEAARM COc1ccc(OCCNc2nnc(-c3ccccc3)c(=O)[n-]2)cc1 ZINC000016693190 462986834 /nfs/dbraw/zinc/98/68/34/462986834.db2.gz MXXBLUOMAXAYBG-UHFFFAOYSA-N -1 0 338.367 2.331 50 0 EEAARM Cc1ccc2c(c1)N(CC(=O)Nc1ccccc1C(=O)[O-])C(=O)CO2 ZINC000026106360 463150423 /nfs/dbraw/zinc/15/04/23/463150423.db2.gz NTPPYDXXVBOPSO-UHFFFAOYSA-N -1 0 340.335 2.057 50 0 EEAARM Cc1nc(-c2cccnc2)sc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000031864657 463356754 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COc1cccc(/C=C2/SC(=O)N(C)C2=O)c1O[C@H](C)C(=O)[O-] ZINC000004743048 210265165 /nfs/dbraw/zinc/26/51/65/210265165.db2.gz CHMQIQRUOKAWOI-XAPLUZPNSA-N -1 0 337.353 2.213 50 0 EEAARM CCCCNC(=O)CN(C)[C@@H](C(=O)[O-])c1cc(C)c(OC)c(C)c1 ZINC000055168696 214283058 /nfs/dbraw/zinc/28/30/58/214283058.db2.gz TUJDWLUWEBURKA-MRXNPFEDSA-N -1 0 336.432 2.286 50 0 EEAARM O=C([O-])c1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 ZINC000004681960 210245825 /nfs/dbraw/zinc/24/58/25/210245825.db2.gz GJLJEFQXAUMZLE-UHFFFAOYSA-N -1 0 338.319 2.291 50 0 EEAARM CCOC(=O)Cc1cc(=O)n2[n-]cc(-c3ccc(Cl)cc3)c2n1 ZINC000100629321 219102543 /nfs/dbraw/zinc/10/25/43/219102543.db2.gz JHJRCBHELXNKLI-UHFFFAOYSA-N -1 0 331.759 2.449 50 0 EEAARM CC[C@@H](C)Oc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1OC ZINC000101347785 219123550 /nfs/dbraw/zinc/12/35/50/219123550.db2.gz RMARAFVULGPQKO-ZWNOBZJWSA-N -1 0 344.371 2.447 50 0 EEAARM Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1Br ZINC000101675544 219155078 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ZINC000013195841 462887056 /nfs/dbraw/zinc/88/70/56/462887056.db2.gz FXTMKMWSSAOZSV-AWEZNQCLSA-N -1 0 341.335 2.459 50 0 EEAARM Cc1ccc(C(=O)[O-])cc1NCc1ccc2c(c1)n(C)c(=O)n2C ZINC000016578828 462983200 /nfs/dbraw/zinc/98/32/00/462983200.db2.gz QPXYLAJBVUKTDL-UHFFFAOYSA-N -1 0 325.368 2.496 50 0 EEAARM CN(Cc1[nH]nc2c1CCCCC2)[C@H](C(=O)[O-])c1ccc(CO)cc1 ZINC000095506991 463098172 /nfs/dbraw/zinc/09/81/72/463098172.db2.gz LPVNERBZWPJJQU-SFHVURJKSA-N -1 0 343.427 2.429 50 0 EEAARM O=C([O-])COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 ZINC000032586140 463381988 /nfs/dbraw/zinc/38/19/88/463381988.db2.gz MZGKLLPDVJAOCD-UHFFFAOYSA-N -1 0 343.307 2.229 50 0 EEAARM C[C@]1(C(=O)[O-])Nc2ccccc2-c2nc(=O)c(-c3ccccc3)nn21 ZINC000102347333 463386377 /nfs/dbraw/zinc/38/63/77/463386377.db2.gz XGFJKUFPZWWDLG-SFHVURJKSA-N -1 0 334.335 2.155 50 0 EEAARM Nc1cc(N2CCC[C@](Cc3ccccc3F)(C(=O)[O-])C2)ncn1 ZINC000071749690 463420336 /nfs/dbraw/zinc/42/03/36/463420336.db2.gz SGFDZUGCAZECNG-QGZVFWFLSA-N -1 0 330.363 2.112 50 0 EEAARM Cc1nc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)n(C)n1 ZINC000127262049 463692919 /nfs/dbraw/zinc/69/29/19/463692919.db2.gz DFZHFOFSDCJYMO-UHFFFAOYSA-N -1 0 334.323 2.084 50 0 EEAARM COc1ccccc1CC(C)(C)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000112758581 463707167 /nfs/dbraw/zinc/70/71/67/463707167.db2.gz IRXFFILXHKYTDX-UHFFFAOYSA-N -1 0 348.424 2.164 50 0 EEAARM O=C([O-])C12CCC(C(=O)NCc3ccc4c(c3)OCCCO4)(CC1)C2 ZINC000585134436 468985773 /nfs/dbraw/zinc/98/57/73/468985773.db2.gz SVZPWGUEQVQVTB-UHFFFAOYSA-N -1 0 345.395 2.499 50 0 EEAARM Cc1cc(C)n(CCCN(C)C(=O)N[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000670456224 485650360 /nfs/dbraw/zinc/65/03/60/485650360.db2.gz DEIFKBFBASSAST-INIZCTEOSA-N -1 0 344.415 2.357 50 0 EEAARM CCCO[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000390381811 1177465840 /nfs/dbraw/zinc/46/58/40/1177465840.db2.gz VMZHJBIKAXLMKX-LBPRGKRZSA-N -1 0 345.392 2.104 50 0 EEAARM Cc1ccc(S(=O)(=O)[N-]NC(=S)N[C@@H](C)c2ccccc2)cc1 ZINC000004600413 210231160 /nfs/dbraw/zinc/23/11/60/210231160.db2.gz SEFFPKRGOJFJHS-ZDUSSCGKSA-N -1 0 349.481 2.414 50 0 EEAARM Cn1c(=O)c(C(=O)NCc2ccc(F)cc2)c([O-])c2ccccc21 ZINC000100508774 219101196 /nfs/dbraw/zinc/10/11/96/219101196.db2.gz CUHZYGMWPZBTOA-UHFFFAOYSA-N -1 0 326.327 2.313 50 0 EEAARM CCOC(=O)Cc1cc(=O)n2[n-]c(C)c(-c3ccccc3OC)c2n1 ZINC000101323368 219122716 /nfs/dbraw/zinc/12/27/16/219122716.db2.gz XDTLDTKCHHEJEF-UHFFFAOYSA-N -1 0 341.367 2.112 50 0 EEAARM CCC[C@H](NC(=O)Cc1c(C)c2ccc(OC)cc2oc1=O)C(=O)[O-] ZINC000004061455 210109978 /nfs/dbraw/zinc/10/99/78/210109978.db2.gz TXSCKDLLSQXEJO-AWEZNQCLSA-N -1 0 347.367 2.022 50 0 biogenic EEAARM CC[C@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C1 ZINC000103155261 219263710 /nfs/dbraw/zinc/26/37/10/219263710.db2.gz WVSGHLBYCWPLFO-NSHDSACASA-N -1 0 331.441 2.484 50 0 EEAARM COc1ccc(CN2CCN(C3CCCCC3)C(=O)C2)cc1C(=O)[O-] ZINC000067674878 215180251 /nfs/dbraw/zinc/18/02/51/215180251.db2.gz GGEOODTVBXTYCH-UHFFFAOYSA-N -1 0 346.427 2.370 50 0 EEAARM O=C([O-])CCc1cc2n(n1)CCN(CCCOc1ccc(F)cc1)C2 ZINC000072166532 216056155 /nfs/dbraw/zinc/05/61/55/216056155.db2.gz FBJLWAANGQRXJY-UHFFFAOYSA-N -1 0 347.390 2.324 50 0 EEAARM C[C@H](Oc1ccc(CN2CCN(C3CCCC3)C(=O)C2)cc1)C(=O)[O-] ZINC000215793456 241147282 /nfs/dbraw/zinc/14/72/82/241147282.db2.gz YTPAWECTOFZPIN-AWEZNQCLSA-N -1 0 346.427 2.125 50 0 EEAARM Cn1cc(C(=O)[O-])c(C(=O)NCc2cccc(C(F)(F)F)c2)n1 ZINC000020614755 212155204 /nfs/dbraw/zinc/15/52/04/212155204.db2.gz NIHBYZMKQSIUTG-UHFFFAOYSA-N -1 0 327.262 2.067 50 0 EEAARM CCCCNC(=O)c1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000017056831 211947575 /nfs/dbraw/zinc/94/75/75/211947575.db2.gz GJNPIWUUUQPVCS-UHFFFAOYSA-N -1 0 339.399 2.259 50 0 EEAARM CCc1c(C)nc2[n-]c(-c3cc(OC)c(OC)c(OC)c3)nn2c1=O ZINC000009476813 211088499 /nfs/dbraw/zinc/08/84/99/211088499.db2.gz AYGCDISBXTXLQS-UHFFFAOYSA-N -1 0 344.371 2.394 50 0 EEAARM COc1ccc(CC(=O)NCc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC000008914853 211017419 /nfs/dbraw/zinc/01/74/19/211017419.db2.gz USUHMYSYWBXLTC-UHFFFAOYSA-N -1 0 337.379 2.033 50 0 EEAARM CC(C)(C)c1cc(-c2cn([C@@H](Cc3ccco3)C(=O)[O-])nn2)n[nH]1 ZINC000095387520 218319214 /nfs/dbraw/zinc/31/92/14/218319214.db2.gz ORURURCFRZZCAH-ZDUSSCGKSA-N -1 0 329.360 2.427 50 0 EEAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000004788610 210278816 /nfs/dbraw/zinc/27/88/16/210278816.db2.gz IHTLUVVFRYYSBM-IRXDYDNUSA-N -1 0 344.411 2.124 50 0 EEAARM Cc1ccc2[nH]cc(CCC(=O)N(C)C[C@@H](C)c3nnn[n-]3)c2c1 ZINC000124053088 222370406 /nfs/dbraw/zinc/37/04/06/222370406.db2.gz OGKLUQBILKXUSF-GFCCVEGCSA-N -1 0 326.404 2.184 50 0 EEAARM CC(=O)c1c(C)nn([C@H](C)CC(=O)NCc2ccc(C(=O)[O-])o2)c1C ZINC000426496657 278241508 /nfs/dbraw/zinc/24/15/08/278241508.db2.gz HRAWOUCPQVQXQC-SECBINFHSA-N -1 0 347.371 2.261 50 0 EEAARM O=C([O-])[C@@H](NC(=O)[C@@H]1COc2ccccc21)c1ccc2c(c1)CCO2 ZINC000297246596 294190852 /nfs/dbraw/zinc/19/08/52/294190852.db2.gz ZQJVKYWJLRXDNZ-PBHICJAKSA-N -1 0 339.347 2.040 50 0 EEAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000003884905 295099428 /nfs/dbraw/zinc/09/94/28/295099428.db2.gz RNKHACHBXOIHPU-GHMZBOCLSA-N -1 0 327.402 2.060 50 0 EEAARM NC(=O)c1c2c(sc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])CCC2 ZINC000005725601 303338543 /nfs/dbraw/zinc/33/85/43/303338543.db2.gz UFECHNNGYUEGAX-DTWKUNHWSA-N -1 0 336.413 2.165 50 0 EEAARM O=c1c2ccccc2c(=N/[O-])/c1=N\Nc1ccc(Br)cc1 ZINC000002897462 304816249 /nfs/dbraw/zinc/81/62/49/304816249.db2.gz QWQLJNIMVVCZFR-JSFMEPCHSA-N -1 0 344.168 2.056 50 0 EEAARM CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000002475615 462593586 /nfs/dbraw/zinc/59/35/86/462593586.db2.gz ALNVNZHBLAJGTP-AWEZNQCLSA-N -1 0 339.438 2.324 50 0 EEAARM CCOC(=O)CSc1nc(=O)c(Cc2ccc(Cl)cc2)n[n-]1 ZINC000005176273 462647709 /nfs/dbraw/zinc/64/77/09/462647709.db2.gz DXHYTXAVYQCBMT-UHFFFAOYSA-N -1 0 339.804 2.064 50 0 EEAARM CCC(NCc1ccco1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000005625200 462665106 /nfs/dbraw/zinc/66/51/06/462665106.db2.gz KFOWCQWIGXZWEW-CCEZHUSRSA-N -1 0 339.351 2.316 50 0 EEAARM O=C([O-])[C@@H]1CC(=O)N(c2cccc(NC(=O)Cc3ccccc3)c2)C1 ZINC000065373839 462759851 /nfs/dbraw/zinc/75/98/51/462759851.db2.gz UGCCCONACBZJOG-CQSZACIVSA-N -1 0 338.363 2.305 50 0 EEAARM O=C([O-])C[C@H](NS(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000013347682 462890146 /nfs/dbraw/zinc/89/01/46/462890146.db2.gz JJWPTTMTSNVZKG-NSHDSACASA-N -1 0 329.374 2.382 50 0 EEAARM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000016579266 462982924 /nfs/dbraw/zinc/98/29/24/462982924.db2.gz WTPMZFARAQBSKF-UHFFFAOYSA-N -1 0 348.424 2.005 50 0 EEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000017071895 462994703 /nfs/dbraw/zinc/99/47/03/462994703.db2.gz GGKQUWHCFDPPHZ-ZWKOTPCHSA-N -1 0 344.455 2.264 50 0 EEAARM O=S(=O)([N-]c1nc(SCc2ccccc2)n[nH]1)c1cccnc1 ZINC000120616216 463018598 /nfs/dbraw/zinc/01/85/98/463018598.db2.gz DVCOILZJOCKDSM-UHFFFAOYSA-N -1 0 347.425 2.293 50 0 EEAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)c1 ZINC000024577449 463090733 /nfs/dbraw/zinc/09/07/33/463090733.db2.gz IGDHJWWTWMCBPO-UHFFFAOYSA-N -1 0 343.364 2.371 50 0 EEAARM Cc1cccc(OCCNC(=O)c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000024580920 463091111 /nfs/dbraw/zinc/09/11/11/463091111.db2.gz AXQMHLNVZQXHHS-UHFFFAOYSA-N -1 0 348.424 2.175 50 0 EEAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(C3CCOCC3)c2)cc1 ZINC000096123399 463182591 /nfs/dbraw/zinc/18/25/91/463182591.db2.gz UOFNQUIADVBTPV-UHFFFAOYSA-N -1 0 349.412 2.238 50 0 EEAARM CSCC[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000028580259 463228938 /nfs/dbraw/zinc/22/89/38/463228938.db2.gz VMWPZNUUHUVDSP-ZDUSSCGKSA-N -1 0 345.486 2.469 50 0 EEAARM O=C(c1cc(F)ccc1Cl)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102990527 463393261 /nfs/dbraw/zinc/39/32/61/463393261.db2.gz FYEJUQWTRTXMIJ-UHFFFAOYSA-N -1 0 346.749 2.014 50 0 EEAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000032771955 463394392 /nfs/dbraw/zinc/39/43/92/463394392.db2.gz XAPTWUSMGHTANK-GJZGRUSLSA-N -1 0 328.368 2.184 50 0 EEAARM Nc1cc(N2CCC[C@@](Cc3ccccc3F)(C(=O)[O-])C2)ncn1 ZINC000071749691 463420608 /nfs/dbraw/zinc/42/06/08/463420608.db2.gz SGFDZUGCAZECNG-KRWDZBQOSA-N -1 0 330.363 2.112 50 0 EEAARM CCc1nc(CN(C)Cc2nc(-c3ccc(C(=O)[O-])cc3)no2)no1 ZINC000071765166 463424158 /nfs/dbraw/zinc/42/41/58/463424158.db2.gz GHXLWVKWVNGERL-UHFFFAOYSA-N -1 0 343.343 2.012 50 0 EEAARM CN(C[C@@H]1CCCCO1)c1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000072425710 463511749 /nfs/dbraw/zinc/51/17/49/463511749.db2.gz LJGNFQXSXQQXOL-ZDUSSCGKSA-N -1 0 328.372 2.242 50 0 EEAARM O=C(NCC(F)(F)F)[C@@H]1CCCN(C(=O)c2c([O-])cccc2F)C1 ZINC000126965186 463673389 /nfs/dbraw/zinc/67/33/89/463673389.db2.gz KRDQIFRLKOVJED-SECBINFHSA-N -1 0 348.296 2.062 50 0 EEAARM Cc1cc(C)n(CCCN(C)C(=O)N[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000670456225 485649231 /nfs/dbraw/zinc/64/92/31/485649231.db2.gz DEIFKBFBASSAST-MRXNPFEDSA-N -1 0 344.415 2.357 50 0 EEAARM Cc1cc(-c2cccnc2)nn1CCNS(=O)(=O)c1cccs1 ZINC000390826865 485667663 /nfs/dbraw/zinc/66/76/63/485667663.db2.gz 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Cc1nc(-c2c(-c3ccccc3)ncn2CC[C@H](O)C(=O)[O-])co1 ZINC000091452678 218008645 /nfs/dbraw/zinc/00/86/45/218008645.db2.gz PXMFPXQSDAXQBX-AWEZNQCLSA-N -1 0 327.340 2.349 50 0 EEAARM Cc1noc(C)c1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](C(=O)[O-])C1 ZINC000092062255 218112369 /nfs/dbraw/zinc/11/23/69/218112369.db2.gz AMFOAZBJEOVBKV-UONOGXRCSA-N -1 0 332.331 2.371 50 0 EEAARM CCOC(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(SC)cc2)CC1 ZINC000095376628 218309104 /nfs/dbraw/zinc/30/91/04/218309104.db2.gz FFORQRZATUBDMR-CQSZACIVSA-N -1 0 338.429 2.308 50 0 EEAARM O=C([O-])c1cnc(Br)c(I)c1 ZINC000091301706 304275147 /nfs/dbraw/zinc/27/51/47/304275147.db2.gz OOQHQESGBJLMNW-UHFFFAOYSA-N -1 0 327.903 2.147 50 0 EEAARM COC(=O)Cc1nc([N-]S(=O)(=O)c2cccc(C)c2)sc1C ZINC000000119064 258047558 /nfs/dbraw/zinc/04/75/58/258047558.db2.gz APBUCXJXVGGFJO-UHFFFAOYSA-N -1 0 340.426 2.276 50 0 EEAARM CCC(NCc1ccco1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000006419631 275800674 /nfs/dbraw/zinc/80/06/74/275800674.db2.gz 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ZINC000003222776 462611975 /nfs/dbraw/zinc/61/19/75/462611975.db2.gz KZQQUBYIRNCQIL-KCJUWKMLSA-N -1 0 339.335 2.483 50 0 EEAARM CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000006697066 462697648 /nfs/dbraw/zinc/69/76/48/462697648.db2.gz PDACDSXLAZYYQP-JTQLQIEISA-N -1 0 347.820 2.224 50 0 EEAARM COC(=O)c1ccccc1NC(=O)CSc1ncccc1C(=O)[O-] ZINC000008378313 462782496 /nfs/dbraw/zinc/78/24/96/462782496.db2.gz FGSMALMPNQGRDI-UHFFFAOYSA-N -1 0 346.364 2.297 50 0 EEAARM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc(O)cc2)C[C@H]1c1cccc(F)c1 ZINC000091325632 462873669 /nfs/dbraw/zinc/87/36/69/462873669.db2.gz YRANEOBTBUXWQB-DLBZAZTESA-N -1 0 343.354 2.401 50 0 EEAARM O=C([O-])C[C@H](NS(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000013195830 462887258 /nfs/dbraw/zinc/88/72/58/462887258.db2.gz RCNHEDXWSZXOSZ-ZDUSSCGKSA-N -1 0 341.335 2.459 50 0 EEAARM COc1ccc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)c(OC)c1 ZINC000013435133 462892591 /nfs/dbraw/zinc/89/25/91/462892591.db2.gz YQKPFIBWKXYSLY-MRXNPFEDSA-N -1 0 343.335 2.196 50 0 EEAARM CC(C)CCC[C@@H](C)NC(=O)Cc1csc([N-]S(C)(=O)=O)n1 ZINC000013735657 462903871 /nfs/dbraw/zinc/90/38/71/462903871.db2.gz BJSHIIDLPSUZCS-LLVKDONJSA-N -1 0 347.506 2.388 50 0 EEAARM COC(=O)c1cc(O)cc(OC)c1C(=O)c1c([O-])cc(C)cc1OC ZINC000014761002 462932834 /nfs/dbraw/zinc/93/28/34/462932834.db2.gz XJOBKBUGVMLSEJ-UHFFFAOYSA-N -1 0 346.335 2.441 50 0 biogenic,in-vitro EEAARM CSCC[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000028580199 463229069 /nfs/dbraw/zinc/22/90/69/463229069.db2.gz OCJXGOIZYLVVRW-ZDUSSCGKSA-N -1 0 331.459 2.295 50 0 EEAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)[C@H]3CCCCO3)CC2)cc1 ZINC000072479315 463511527 /nfs/dbraw/zinc/51/15/27/463511527.db2.gz NOEKBESPRDFFKM-MRXNPFEDSA-N -1 0 347.411 2.389 50 0 EEAARM O=C(c1ccc(Cl)cc1Cl)N1CC[C@H](N2C(=O)COC2=O)C1 ZINC000225701925 464180371 /nfs/dbraw/zinc/18/03/71/464180371.db2.gz BFGIQPZXRRWTTL-VIFPVBQESA-N -1 0 343.166 2.187 50 0 EEAARM CC(C)c1nc(=N[C@H](CO)[C@@H](O)c2ccc(Cl)cc2)s[n-]1 ZINC000585132651 468984925 /nfs/dbraw/zinc/98/49/25/468984925.db2.gz JKGQLULRBLREIQ-NEPJUHHUSA-N -1 0 327.837 2.243 50 0 EEAARM CC(C)C[C@H](NC(=O)C[C@H](c1nccn1C)C(F)(F)F)C(=O)[O-] ZINC000585135064 468986318 /nfs/dbraw/zinc/98/63/18/468986318.db2.gz VXIWTFJRYOPMJV-ZJUUUORDSA-N -1 0 335.326 2.072 50 0 EEAARM COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c([O-])cc(C)oc1=O ZINC000218028434 536313602 /nfs/dbraw/zinc/31/36/02/536313602.db2.gz ITOLGMIQPGENPC-NSHDSACASA-N -1 0 332.308 2.078 50 0 biogenic EEAARM O=C([O-])c1cc(NC(=O)c2cc(=O)c3ccccc3o2)ccc1O ZINC000016225449 1227003788 /nfs/dbraw/zinc/00/37/88/1227003788.db2.gz SODXPRHPJZFKFS-UHFFFAOYSA-N -1 0 325.276 2.449 50 0 EEAARM CN(CCN1CCOCC1)[C@@H](C(=O)[O-])c1cc2ccccc2s1 ZINC001529142072 1121338803 /nfs/dbraw/zinc/33/88/03/1121338803.db2.gz DGVKVEMOYZFJQK-MRXNPFEDSA-N -1 0 334.441 2.291 50 0 EEAARM COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1O ZINC000004682173 210246471 /nfs/dbraw/zinc/24/64/71/210246471.db2.gz KLRZZCQRXXIARK-RUDMXATFSA-N -1 0 343.744 2.175 50 0 EEAARM COc1nc(C)cc(C)c1CNC(=O)c1ccccc1NCC(=O)[O-] ZINC000065526136 214946412 /nfs/dbraw/zinc/94/64/12/214946412.db2.gz ZIBSCTMYEIOJHZ-UHFFFAOYSA-N -1 0 343.383 2.134 50 0 EEAARM CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)[O-])c1 ZINC000003324516 210007252 /nfs/dbraw/zinc/00/72/52/210007252.db2.gz HNBOWLIJCWGZLP-UHFFFAOYSA-N -1 0 326.418 2.016 50 0 EEAARM COc1ccccc1NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102828897 219234224 /nfs/dbraw/zinc/23/42/24/219234224.db2.gz MOGXVUGDWZZOSB-UHFFFAOYSA-N -1 0 341.392 2.483 50 0 EEAARM CCCCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2c(C)n[nH]c2C)nc1 ZINC000067459517 215149233 /nfs/dbraw/zinc/14/92/33/215149233.db2.gz NLFFODLMIXUAJX-OAHLLOKOSA-N -1 0 330.388 2.320 50 0 EEAARM CC(C)[C@H](C(=O)[O-])N1C(=O)c2ccc(Br)cc2C1=O ZINC000003014574 209954534 /nfs/dbraw/zinc/95/45/34/209954534.db2.gz ZQAZTRZXTJGANQ-SNVBAGLBSA-N -1 0 326.146 2.154 50 0 EEAARM CC(C)C[C@H](NC(=O)CCc1nc(-c2ccc(F)cc2)no1)C(=O)[O-] ZINC000041155327 213427923 /nfs/dbraw/zinc/42/79/23/213427923.db2.gz 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Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000029432820 463257723 /nfs/dbraw/zinc/25/77/23/463257723.db2.gz STBHJAHWRQTOEA-UHFFFAOYSA-N -1 0 330.409 2.383 50 0 EEAARM CCOC(=O)Cc1csc([N-]S(=O)(=O)c2cccc(C)c2)n1 ZINC000030836420 463312769 /nfs/dbraw/zinc/31/27/69/463312769.db2.gz WZQBUAOAZRGEBW-UHFFFAOYSA-N -1 0 340.426 2.358 50 0 EEAARM CCCCc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])cc1 ZINC000222299926 464129240 /nfs/dbraw/zinc/12/92/40/464129240.db2.gz RXGHWAWTVRGBRF-CVEARBPZSA-N -1 0 335.400 2.018 50 0 EEAARM O=C([O-])[C@@H]1Cc2nc(NC(=O)c3ccc(F)cc3)sc2C(=O)C1 ZINC000299774024 465885946 /nfs/dbraw/zinc/88/59/46/465885946.db2.gz DVTZPUHMMKDVCI-MRVPVSSYSA-N -1 0 334.328 2.364 50 0 EEAARM Cc1ccc2nc(SCC(=O)NCc3n[nH]c(=O)[n-]3)cc(C)c2c1 ZINC000670458024 485651773 /nfs/dbraw/zinc/65/17/73/485651773.db2.gz PRUMUJWAHGDLKS-UHFFFAOYSA-N -1 0 343.412 2.084 50 0 EEAARM COc1cccc(-c2ncc(CN3CCOC[C@@H]3CC(=O)[O-])s2)c1 ZINC000072153843 1253448315 /nfs/dbraw/zinc/44/83/15/1253448315.db2.gz GINBHLSYIKWHNI-ZDUSSCGKSA-N -1 0 348.424 2.494 50 0 EEAARM COc1cccc([C@H]2CCN(Cc3nc(C(=O)[O-])co3)C2)c1OC ZINC001529173739 1121354485 /nfs/dbraw/zinc/35/44/85/1121354485.db2.gz PUOHJDIYIVNNQX-NSHDSACASA-N -1 0 332.356 2.380 50 0 EEAARM CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCCC(=O)[O-])ccc12 ZINC000002093036 209819246 /nfs/dbraw/zinc/81/92/46/209819246.db2.gz XDDQSNPYOZRUJA-LLVKDONJSA-N -1 0 347.367 2.104 50 0 biogenic EEAARM CC(=O)c1cn(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c2ccccc12 ZINC000036369882 213091312 /nfs/dbraw/zinc/09/13/12/213091312.db2.gz MOPZYZVUQWIEBQ-HNNXBMFYSA-N -1 0 330.384 2.459 50 0 biogenic EEAARM O=C([O-])CCn1cc([C@@H](C(=O)[O-])[NH+]2CCCC2)c2ccc(F)cc21 ZINC000036357031 213088658 /nfs/dbraw/zinc/08/86/58/213088658.db2.gz RXJULBTUPNIXEY-INIZCTEOSA-N -1 0 334.347 2.477 50 0 EEAARM NC(=O)c1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1Cl ZINC000071284868 215752922 /nfs/dbraw/zinc/75/29/22/215752922.db2.gz RDAROIAIOHEOEI-UHFFFAOYSA-N -1 0 332.743 2.318 50 0 EEAARM CCOC(=O)Cc1csc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC000000205094 209483106 /nfs/dbraw/zinc/48/31/06/209483106.db2.gz HDKQENLAUAHTAX-GHMZBOCLSA-N -1 0 340.401 2.078 50 0 EEAARM CCOc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1Cl ZINC000072412150 216205263 /nfs/dbraw/zinc/20/52/63/216205263.db2.gz KRYJLDDDIPIPPV-NSHDSACASA-N -1 0 327.764 2.054 50 0 EEAARM Cc1ncccc1OC1(C(=O)[O-])CCN(c2ncc(Cl)cn2)CC1 ZINC000072458219 216244230 /nfs/dbraw/zinc/24/42/30/216244230.db2.gz UZSCMKWYXDGDKQ-UHFFFAOYSA-N -1 0 348.790 2.336 50 0 EEAARM O=C([O-])CCc1ccc(-c2ncc(F)c(N3CCOCC3)n2)cc1 ZINC000215002771 241100067 /nfs/dbraw/zinc/10/00/67/241100067.db2.gz FIEYVTHCBIFTNM-UHFFFAOYSA-N -1 0 331.347 2.137 50 0 EEAARM CCC[C@@H](NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)[O-] ZINC000020609859 212155077 /nfs/dbraw/zinc/15/50/77/212155077.db2.gz ZZTCLUFDEMYIMH-GFCCVEGCSA-N -1 0 347.367 2.027 50 0 biogenic EEAARM CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)cc(Br)c1O ZINC000019737358 212059055 /nfs/dbraw/zinc/05/90/55/212059055.db2.gz RKOSVMICMGPCSO-KWQFWETISA-N -1 0 348.218 2.342 50 0 EEAARM COc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1C(=O)[O-] ZINC000016623924 211921561 /nfs/dbraw/zinc/92/15/61/211921561.db2.gz JFTOQPFYLWVUBJ-PHIMTYICSA-N -1 0 327.402 2.060 50 0 EEAARM COCc1[n-]n2c(nc(C)cc2=O)c1-c1ccc(OC)c(OC)c1 ZINC000015085287 211801505 /nfs/dbraw/zinc/80/15/05/211801505.db2.gz QWBCNXWPRMXRLF-UHFFFAOYSA-N -1 0 329.356 2.162 50 0 EEAARM COc1ccc(NC(=O)CCC(=O)[O-])cc1NC(=O)c1ccco1 ZINC000013843218 211649644 /nfs/dbraw/zinc/64/96/44/211649644.db2.gz WYFXHRYNOIVSMW-UHFFFAOYSA-N -1 0 332.312 2.344 50 0 EEAARM CC[C@H](C)[C@H](NC(=O)c1cc2c(c(OC)ccc2OC)n1C)C(=O)[O-] ZINC000012664404 211431528 /nfs/dbraw/zinc/43/15/28/211431528.db2.gz QYNIJIWNWAOKAI-BONVTDFDSA-N -1 0 348.399 2.425 50 0 biogenic EEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(O)cc2)C[C@H]1c1cccc(F)c1 ZINC000092107953 218122347 /nfs/dbraw/zinc/12/23/47/218122347.db2.gz RMJBYZKYBGLSHC-JKSUJKDBSA-N -1 0 329.327 2.472 50 0 EEAARM Cn1cc(CCC(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cn1 ZINC000095362035 218295677 /nfs/dbraw/zinc/29/56/77/218295677.db2.gz PHYKFKZQZJSRLE-KRWDZBQOSA-N -1 0 341.411 2.457 50 0 EEAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000007708091 210835487 /nfs/dbraw/zinc/83/54/87/210835487.db2.gz ICELAVUPSQYVGZ-UHFFFAOYSA-N -1 0 349.364 2.265 50 0 EEAARM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000013070181 304249365 /nfs/dbraw/zinc/24/93/65/304249365.db2.gz ZBPRIYJJJBRFLQ-SNVBAGLBSA-N -1 0 337.319 2.348 50 0 EEAARM O=C([O-])[C@@H]1Cc2nc(NC(=O)c3ccccc3F)sc2C(=O)C1 ZINC000299794330 258098977 /nfs/dbraw/zinc/09/89/77/258098977.db2.gz KGYHINNHLPHCRM-SSDOTTSWSA-N -1 0 334.328 2.364 50 0 EEAARM Nc1c(Br)cc(S(=O)(=O)[O-])cc1Br ZINC000002169870 258049699 /nfs/dbraw/zinc/04/96/99/258049699.db2.gz KQQQNGNCDHGIIR-UHFFFAOYSA-N -1 0 330.985 2.041 50 0 EEAARM Cc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCOCC2)cc1 ZINC000022609274 301808328 /nfs/dbraw/zinc/80/83/28/301808328.db2.gz FFBIAJHSUPXVSC-CYBMUJFWSA-N -1 0 330.413 2.226 50 0 EEAARM Cc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1[nH]cnc1C(=O)[O-] ZINC000215782581 302098717 /nfs/dbraw/zinc/09/87/17/302098717.db2.gz UNDVQGUMHWWKKB-AWEZNQCLSA-N -1 0 343.383 2.238 50 0 EEAARM CCN1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2C1=O ZINC000000367727 462557133 /nfs/dbraw/zinc/55/71/33/462557133.db2.gz YAJUKJCKPHXALP-UHFFFAOYSA-N -1 0 338.319 2.253 50 0 EEAARM CC(=O)Nc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000000189712 462546836 /nfs/dbraw/zinc/54/68/36/462546836.db2.gz WFFWYOQQSLXXKZ-UHFFFAOYSA-N -1 0 334.353 2.144 50 0 EEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cn1 ZINC000006715478 462699890 /nfs/dbraw/zinc/69/98/90/462699890.db2.gz NGRZYVGUKDVVQG-NXEZZACHSA-N -1 0 325.162 2.450 50 0 EEAARM Cc1cc(N2CCC3(CNC(=O)C3)CC2)nc(-c2ccccc2[O-])n1 ZINC000065455749 462773883 /nfs/dbraw/zinc/77/38/83/462773883.db2.gz GNGNRHUIKFIKQX-UHFFFAOYSA-N -1 0 338.411 2.264 50 0 EEAARM Cc1cc(CNS(=O)(=O)c2ccsc2C(=O)[O-])ccc1F ZINC000012847828 462871717 /nfs/dbraw/zinc/87/17/17/462871717.db2.gz DRXHPACSZOBMQH-UHFFFAOYSA-N -1 0 329.374 2.372 50 0 EEAARM COc1cc(C(=O)N2CCC(C(=O)[O-])CC2)cc(Cl)c1OC ZINC000013167336 462887253 /nfs/dbraw/zinc/88/72/53/462887253.db2.gz TVANWGUKYCLFEM-UHFFFAOYSA-N -1 0 327.764 2.294 50 0 EEAARM COc1ccc(OCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013389175 462891339 /nfs/dbraw/zinc/89/13/39/462891339.db2.gz BRYNVYVVBFTVJV-ZDUSSCGKSA-N -1 0 335.381 2.468 50 0 EEAARM CCOc1ccc(CNC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000013667996 462898747 /nfs/dbraw/zinc/89/87/47/462898747.db2.gz XDKIGXADGZPXDI-UHFFFAOYSA-N -1 0 348.424 2.387 50 0 EEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000017067235 462993777 /nfs/dbraw/zinc/99/37/77/462993777.db2.gz KFWCICMZTLYSQM-CABCVRRESA-N -1 0 328.372 2.156 50 0 EEAARM C[C@@H](O)[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)[O-] ZINC000095471284 463091109 /nfs/dbraw/zinc/09/11/09/463091109.db2.gz PLUVXXGNYHRYRK-BMIGLBTASA-N -1 0 340.335 2.059 50 0 EEAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C\c1c(Cl)nc2sccn12 ZINC000103502846 463404036 /nfs/dbraw/zinc/40/40/36/463404036.db2.gz CRPLGRFOHDJGJJ-TYRPZCRBSA-N -1 0 325.777 2.138 50 0 EEAARM CC(=O)c1cc2c(cc1NC(=O)Cc1ccccc1C(=O)[O-])OCO2 ZINC000071284453 463412509 /nfs/dbraw/zinc/41/25/09/463412509.db2.gz XIESYQQRNFCPCT-UHFFFAOYSA-N -1 0 341.319 2.497 50 0 EEAARM O=C([O-])[C@@]12CN(C(=O)c3ccc(F)c(Cl)c3)C[C@@H]1COCC2 ZINC001772709146 1179297618 /nfs/dbraw/zinc/29/76/18/1179297618.db2.gz NHCDEQUKOFVIIN-BMIGLBTASA-N -1 0 327.739 2.042 50 0 EEAARM O=C([O-])[C@@]12CN(C(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]1COCC2 ZINC001772709308 1179300825 /nfs/dbraw/zinc/30/08/25/1179300825.db2.gz NZUTWOKKNFFLTR-DOMZBBRYSA-N -1 0 343.301 2.269 50 0 EEAARM Cc1ccc([C@H](C(=O)[O-])N2CCN(C(=O)c3ccco3)CC2)cc1F ZINC001506397602 1114595427 /nfs/dbraw/zinc/59/54/27/1114595427.db2.gz WPQKTQYVXKSXND-MRXNPFEDSA-N -1 0 346.358 2.311 50 0 EEAARM Cc1cccc([N-]S(=O)(=O)c2nc3nc(C)c(C)c(C)n3n2)c1C ZINC000004568975 210223759 /nfs/dbraw/zinc/22/37/59/210223759.db2.gz NUWZOWZQCIBOQB-UHFFFAOYSA-N -1 0 345.428 2.467 50 0 EEAARM Cc1nc(SCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n[nH]1 ZINC000004511397 210208678 /nfs/dbraw/zinc/20/86/78/210208678.db2.gz ZXGVNWRKMBOVGC-UHFFFAOYSA-N -1 0 326.765 2.196 50 0 EEAARM O=C([O-])C1=Nc2ncnn2[C@@H](c2ccc(Br)s2)C1 ZINC000101089896 219116130 /nfs/dbraw/zinc/11/61/30/219116130.db2.gz FYZMRPYWWXOBSW-ZCFIWIBFSA-N -1 0 327.163 2.086 50 0 EEAARM Nc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)[O-])cc3s2)cc1 ZINC000039357992 213233910 /nfs/dbraw/zinc/23/39/10/213233910.db2.gz CBTUNGRYSSNAGN-UHFFFAOYSA-N -1 0 349.393 2.378 50 0 EEAARM CC(C)(C)OC(=O)C[C@H](CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000034212907 212975316 /nfs/dbraw/zinc/97/53/16/212975316.db2.gz ZWLHJIDBOFBLGR-ZDUSSCGKSA-N -1 0 337.372 2.488 50 0 EEAARM O=C([O-])[C@H]1C[C@@H](C(=O)NC2CC2)CN(c2nc3ccccc3s2)C1 ZINC000072163057 216051391 /nfs/dbraw/zinc/05/13/91/216051391.db2.gz UAGXLCUUUSCHOB-MNOVXSKESA-N -1 0 345.424 2.102 50 0 EEAARM CC[C@@H](Cn1ccnc1)Nc1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000072423723 216213622 /nfs/dbraw/zinc/21/36/22/216213622.db2.gz WUXSPLAPTWNRFR-ZDUSSCGKSA-N -1 0 338.371 2.324 50 0 EEAARM O=C([O-])C1(n2cnc3ccccc32)CCN(C(=O)c2ccc[nH]2)CC1 ZINC000072432146 216224891 /nfs/dbraw/zinc/22/48/91/216224891.db2.gz VGFPCUMDTFGVCI-UHFFFAOYSA-N -1 0 338.367 2.081 50 0 EEAARM CCn1ncnc1[C@@H](C)Nc1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000072453471 216241457 /nfs/dbraw/zinc/24/14/57/216241457.db2.gz KJWRLNBGVKFZTR-SNVBAGLBSA-N -1 0 339.359 2.021 50 0 EEAARM CCC[C@H](NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)[O-] ZINC000020609861 212155358 /nfs/dbraw/zinc/15/53/58/212155358.db2.gz ZZTCLUFDEMYIMH-LBPRGKRZSA-N -1 0 347.367 2.027 50 0 biogenic EEAARM O=C([O-])[C@@H]1CN(C(=O)CCCc2cn[nH]c2)C[C@H]1c1ccccc1 ZINC000091412139 218002524 /nfs/dbraw/zinc/00/25/24/218002524.db2.gz XKWLJHOQSOGXSR-JKSUJKDBSA-N -1 0 327.384 2.059 50 0 EEAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2cccnc2)C1 ZINC000091845372 218075090 /nfs/dbraw/zinc/07/50/90/218075090.db2.gz YCICFTZIPOQATB-SFHVURJKSA-N -1 0 334.416 2.134 50 0 EEAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000003395034 304248719 /nfs/dbraw/zinc/24/87/19/304248719.db2.gz SQTOMTSEXVXPPS-UHFFFAOYSA-N -1 0 349.364 2.347 50 0 EEAARM CN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1ccc2c(c1)OCO2 ZINC000001629509 289860192 /nfs/dbraw/zinc/86/01/92/289860192.db2.gz WTYHJVRWDIGCCZ-JKSUJKDBSA-N -1 0 325.320 2.410 50 0 EEAARM CCOC(=O)c1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])nc1C ZINC000000178902 462545592 /nfs/dbraw/zinc/54/55/92/462545592.db2.gz WGCWCSLPWMAEIY-NXEZZACHSA-N -1 0 338.385 2.234 50 0 EEAARM COc1ccc(CCNC(=O)c2ccccc2C(=O)[O-])cc1OC ZINC000000283026 462552579 /nfs/dbraw/zinc/55/25/79/462552579.db2.gz VVCMUAMIHKGLDJ-UHFFFAOYSA-N -1 0 329.352 2.375 50 0 EEAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000003259168 462613406 /nfs/dbraw/zinc/61/34/06/462613406.db2.gz XXWAFHJMVVRVLT-UHFFFAOYSA-N -1 0 335.381 2.214 50 0 EEAARM COc1cc(/C=C/C(=O)N[C@H](C(=O)[O-])c2ccccc2)ccc1O ZINC000004090892 462628218 /nfs/dbraw/zinc/62/82/18/462628218.db2.gz UMLXSCZCCWCILS-VMSUTVGLSA-N -1 0 327.336 2.356 50 0 biogenic EEAARM C[C@H](c1nnc(SCC(=O)[O-])n1-c1ccccc1)n1cccn1 ZINC000065403446 462765574 /nfs/dbraw/zinc/76/55/74/462765574.db2.gz HMNYPOPVNVGVAK-LLVKDONJSA-N -1 0 329.385 2.250 50 0 EEAARM CC(C)n1nc(C(=O)N2CCCC[C@H]2C(=O)[O-])c2ccccc2c1=O ZINC000008274359 462776362 /nfs/dbraw/zinc/77/63/62/462776362.db2.gz GERKZHZNHZKHMB-AWEZNQCLSA-N -1 0 343.383 2.057 50 0 EEAARM CC(C)OCCCNC(=O)COc1cc(Cl)ccc1C(=O)[O-] ZINC000013319205 462889543 /nfs/dbraw/zinc/88/95/43/462889543.db2.gz GMUDOEZTVVEMCC-UHFFFAOYSA-N -1 0 329.780 2.348 50 0 EEAARM O=C([O-])Cc1coc(NC(=O)c2ccc(Br)cc2)n1 ZINC000023114759 463061743 /nfs/dbraw/zinc/06/17/43/463061743.db2.gz GJHSYRVKIUJCES-UHFFFAOYSA-N -1 0 325.118 2.317 50 0 EEAARM Cc1cc2cccc(C(=O)N3CCc4[nH]cnc4[C@@H]3C(=O)[O-])c2o1 ZINC000096138333 463184537 /nfs/dbraw/zinc/18/45/37/463184537.db2.gz 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EEAARM COc1ccc(OC)c(NC(=O)c2c(C)cn(C)c2CC(=O)[O-])c1 ZINC000015681064 462960177 /nfs/dbraw/zinc/96/01/77/462960177.db2.gz GRLBXOLUEISNFL-UHFFFAOYSA-N -1 0 332.356 2.230 50 0 EEAARM Cc1cc(C)cc(CN2CCN(c3ccc(C(=O)[O-])cn3)CC2=O)c1 ZINC000095501254 463096702 /nfs/dbraw/zinc/09/67/02/463096702.db2.gz SAXAHRLLQCCICH-UHFFFAOYSA-N -1 0 339.395 2.245 50 0 EEAARM CCOc1cc2c(cc1CN1Cc3nc[nH]c3C[C@@H]1C(=O)[O-])CCC2 ZINC000097347169 463354661 /nfs/dbraw/zinc/35/46/61/463354661.db2.gz DKRDUNVZGJFYOP-QGZVFWFLSA-N -1 0 341.411 2.309 50 0 EEAARM C[C@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C1 ZINC000102855809 463392080 /nfs/dbraw/zinc/39/20/80/463392080.db2.gz DFPPQSDXQNGAAI-QWRGUYRKSA-N -1 0 331.441 2.340 50 0 EEAARM Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)c2)n1 ZINC000071287999 463413918 /nfs/dbraw/zinc/41/39/18/463413918.db2.gz WOSFEGYHSINVBS-UONOGXRCSA-N -1 0 341.367 2.041 50 0 EEAARM Cc1nc2cc(-n3ccnc3-c3cnc(NCC(=O)[O-])nc3)ccc2[nH]1 ZINC000071754627 463422265 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O=C([O-])c1ccc2c(c1)[nH]c(=O)n(Cc1ccccc1Cl)c2=O ZINC000040478858 213314108 /nfs/dbraw/zinc/31/41/08/213314108.db2.gz MTCXHAMIQDMYFB-UHFFFAOYSA-N -1 0 330.727 2.090 50 0 EEAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000071281579 215751680 /nfs/dbraw/zinc/75/16/80/215751680.db2.gz FANLCLUHVTVWCY-VXGBXAGGSA-N -1 0 349.774 2.363 50 0 EEAARM COc1ccc(C(=O)[O-])cc1-c1cc(NCCO)nc2[nH]ccc21 ZINC000072165793 216054443 /nfs/dbraw/zinc/05/44/43/216054443.db2.gz GGPNDUJJJJTYFE-UHFFFAOYSA-N -1 0 327.340 2.341 50 0 EEAARM O=C(CCc1cc(=O)[n-]o1)N[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000072171234 216062817 /nfs/dbraw/zinc/06/28/17/216062817.db2.gz RSLWNHRLBGYMIC-AWEZNQCLSA-N -1 0 347.390 2.233 50 0 EEAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000000110999 209427482 /nfs/dbraw/zinc/42/74/82/209427482.db2.gz WDECGZLGRHRJLC-CVEARBPZSA-N -1 0 336.351 2.189 50 0 EEAARM Cc1c[nH]c(C(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)c1 ZINC000072427887 216219481 /nfs/dbraw/zinc/21/94/81/216219481.db2.gz RYLJVOHTNKQHEE-UHFFFAOYSA-N -1 0 328.368 2.462 50 0 EEAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)NCC3CCCCC3)CC2)c1 ZINC000072429307 216220194 /nfs/dbraw/zinc/22/01/94/216220194.db2.gz ZOVMXSJSRUVDLT-UHFFFAOYSA-N -1 0 348.447 2.357 50 0 EEAARM CC(C)[C@H](CC(=O)[O-])NC(=O)Cc1cc2c(cc1Cl)OCCO2 ZINC000222601047 241532171 /nfs/dbraw/zinc/53/21/71/241532171.db2.gz CDFRPTCUKZGUEQ-LBPRGKRZSA-N -1 0 341.791 2.269 50 0 EEAARM CCSc1cccc([C@@H](C(=O)[O-])N2CCN(CCOC)CC2)c1 ZINC000095354555 218288503 /nfs/dbraw/zinc/28/85/03/218288503.db2.gz ZZENFQDOICCCCC-INIZCTEOSA-N -1 0 338.473 2.188 50 0 EEAARM C[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1nnn[n-]1 ZINC000095388324 218320964 /nfs/dbraw/zinc/32/09/64/218320964.db2.gz ICZXYCKMOGFDMT-LLVKDONJSA-N -1 0 345.366 2.301 50 0 EEAARM CC(=O)Oc1ccc(C)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000005030438 210367293 /nfs/dbraw/zinc/36/72/93/210367293.db2.gz FCPISICMMKLKHB-UHFFFAOYSA-N -1 0 339.303 2.419 50 0 EEAARM COc1ccc(CC(=O)Nc2ccc(O)cc2C(=O)[O-])cc1OC ZINC000004819567 210286545 /nfs/dbraw/zinc/28/65/45/210286545.db2.gz CKQCXWUAGIPDND-UHFFFAOYSA-N -1 0 331.324 2.289 50 0 EEAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccc(Br)cc1 ZINC000000226161 278075617 /nfs/dbraw/zinc/07/56/17/278075617.db2.gz RQHDIPZZSXATDR-QWRGUYRKSA-N -1 0 330.203 2.496 50 0 EEAARM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000108117680 299025328 /nfs/dbraw/zinc/02/53/28/299025328.db2.gz ZNJNFLJEXCJTGW-SGMGOOAPSA-N -1 0 334.416 2.115 50 0 EEAARM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000044253327 463672068 /nfs/dbraw/zinc/67/20/68/463672068.db2.gz XGGVNLBJOUZIRX-UHFFFAOYSA-N -1 0 328.752 2.379 50 0 EEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1 ZINC000000075136 462541166 /nfs/dbraw/zinc/54/11/66/462541166.db2.gz GBPLKGFOOYJDPA-QGZVFWFLSA-N -1 0 338.363 2.359 50 0 EEAARM O=C([O-])c1cc(NC(=O)c2ccccc2)ccc1N1CCOCC1 ZINC000000158278 462544314 /nfs/dbraw/zinc/54/43/14/462544314.db2.gz ZVDZKUSKSCLKIX-UHFFFAOYSA-N -1 0 326.352 2.474 50 0 EEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccc(C)cc2)cc1 ZINC000000463141 462564952 /nfs/dbraw/zinc/56/49/52/462564952.db2.gz YLCCOSMNDSSUMG-UHFFFAOYSA-N -1 0 346.408 2.001 50 0 EEAARM Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cc1 ZINC000001432515 462582476 /nfs/dbraw/zinc/58/24/76/462582476.db2.gz JJRMIGUHWKZLMH-HNNXBMFYSA-N -1 0 333.365 2.036 50 0 EEAARM CN(c1ccc(OCC(=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000002869395 462605500 /nfs/dbraw/zinc/60/55/00/462605500.db2.gz CNPBBBPVKAUJTA-UHFFFAOYSA-N -1 0 339.344 2.114 50 0 EEAARM C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)[O-] ZINC000004081856 462628280 /nfs/dbraw/zinc/62/82/80/462628280.db2.gz MCKJPJYRCPANCC-HOSJZOFRSA-N -1 0 346.423 2.081 50 0 biogenic EEAARM COc1ccc(C[C@@H](C(=O)Nc2ccc(F)cc2)c2nnn[n-]2)cc1 ZINC000006520728 462688418 /nfs/dbraw/zinc/68/84/18/462688418.db2.gz BMHYYOCNADAPOC-OAHLLOKOSA-N -1 0 341.346 2.312 50 0 EEAARM COc1cc(N2C[C@H](C(=O)[O-])CC2=O)ccc1NC(=O)C(C)(C)C ZINC000065532676 462791097 /nfs/dbraw/zinc/79/10/97/462791097.db2.gz WXUJHJFNPUWTQG-SNVBAGLBSA-N -1 0 334.372 2.117 50 0 EEAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)CN(C)c2ccccc2)C1 ZINC000091547641 462887363 /nfs/dbraw/zinc/88/73/63/462887363.db2.gz QOYIZNLMRNDXKB-IBGZPJMESA-N -1 0 348.443 2.243 50 0 EEAARM COc1ccccc1CNC(=O)[C@H](C)Oc1cccc(C(=O)[O-])c1 ZINC000013308883 462889241 /nfs/dbraw/zinc/88/92/41/462889241.db2.gz ZGDBCIHLVXLQIP-LBPRGKRZSA-N -1 0 329.352 2.477 50 0 EEAARM O=C([O-])C1(NC(=O)c2cccc(N3CCCC3=O)c2)CCCCC1 ZINC000013426252 462893034 /nfs/dbraw/zinc/89/30/34/462893034.db2.gz YXQMMXODRZABFU-UHFFFAOYSA-N -1 0 330.384 2.331 50 0 EEAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000067649872 463032441 /nfs/dbraw/zinc/03/24/41/463032441.db2.gz QZVIGYJQYVMUNS-CHGJFTSJSA-N -1 0 346.431 2.420 50 0 EEAARM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(Cl)nc3)ccc2N1 ZINC000032087818 463363722 /nfs/dbraw/zinc/36/37/22/463363722.db2.gz CWYCBUWXSQENDL-UHFFFAOYSA-N -1 0 337.788 2.421 50 0 EEAARM CC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000100573246 463374115 /nfs/dbraw/zinc/37/41/15/463374115.db2.gz NYIDLVHKPFMIAR-RDJZCZTQSA-N -1 0 333.347 2.010 50 0 EEAARM C[C@@](O)(C[N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000070639684 463377132 /nfs/dbraw/zinc/37/71/32/463377132.db2.gz FMJXUGIOOSLJAS-OAHLLOKOSA-N -1 0 327.352 2.151 50 0 EEAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000071281580 463411976 /nfs/dbraw/zinc/41/19/76/463411976.db2.gz FANLCLUHVTVWCY-RYUDHWBXSA-N -1 0 349.774 2.363 50 0 EEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccn(Cc2ccc(F)cc2)n1 ZINC000071283479 463412824 /nfs/dbraw/zinc/41/28/24/463412824.db2.gz NOLPLEQGZSIJRU-KGLIPLIRSA-N -1 0 331.347 2.366 50 0 EEAARM COc1ccc(-c2cncc(C(=O)[N-]S(=O)(=O)CC(C)C)c2)cc1 ZINC000124913405 463479905 /nfs/dbraw/zinc/47/99/05/463479905.db2.gz GUEUQRPJEPQGHM-UHFFFAOYSA-N -1 0 348.424 2.473 50 0 EEAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)c1cccc(-c2ccco2)c1 ZINC000222826845 464134337 /nfs/dbraw/zinc/13/43/37/464134337.db2.gz QVIPHCXZHCRKCA-OAHLLOKOSA-N -1 0 337.335 2.321 50 0 EEAARM CC(C)OCC(=O)N1CCC(Oc2ccccc2F)(C(=O)[O-])CC1 ZINC000072439887 1253496854 /nfs/dbraw/zinc/49/68/54/1253496854.db2.gz GLWIBLIGOKRNAJ-UHFFFAOYSA-N -1 0 339.363 2.075 50 0 EEAARM COc1cccc(OC)c1[C@@H](C(=O)[O-])N1CC(c2ccncc2)C1 ZINC001529167960 1121350776 /nfs/dbraw/zinc/35/07/76/1121350776.db2.gz UFQHQOPVJZDMHS-KRWDZBQOSA-N -1 0 328.368 2.324 50 0 EEAARM Cc1c(Cl)cccc1NC(=O)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000055211384 214288757 /nfs/dbraw/zinc/28/87/57/214288757.db2.gz ACUKFYBVOPBAIG-NSHDSACASA-N -1 0 338.791 2.300 50 0 EEAARM COc1cc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c(C(C)=O)cc1OC ZINC000062001787 214692566 /nfs/dbraw/zinc/69/25/66/214692566.db2.gz OMVMCTYUTSSWGI-UONOGXRCSA-N -1 0 335.356 2.202 50 0 biogenic EEAARM COc1ccccc1CNC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100811732 219108294 /nfs/dbraw/zinc/10/82/94/219108294.db2.gz YLSGJKNENOETAO-UHFFFAOYSA-N -1 0 338.363 2.183 50 0 EEAARM O=C([O-])C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000003886781 210084509 /nfs/dbraw/zinc/08/45/09/210084509.db2.gz CZKISWJELFZXCR-UHFFFAOYSA-N -1 0 337.319 2.191 50 0 EEAARM CCOC(=O)N1CCN(c2cc(C)nc(-c3ccccc3[O-])n2)CC1 ZINC000102659497 219219632 /nfs/dbraw/zinc/21/96/32/219219632.db2.gz QDKFIHMAQINGMG-UHFFFAOYSA-N -1 0 342.399 2.436 50 0 EEAARM CCOC(=O)c1[n-]nc(C(F)(F)F)c1I ZINC000685948843 539991278 /nfs/dbraw/zinc/99/12/78/539991278.db2.gz DOWQTWRHTNKXHS-UHFFFAOYSA-N -1 0 334.035 2.210 50 0 EEAARM O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC000072462942 304034555 /nfs/dbraw/zinc/03/45/55/304034555.db2.gz WRDVWPUNBJKPQI-JTQLQIEISA-N -1 0 343.301 2.306 50 0 EEAARM CCCN(CC(=O)[O-])S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000037981370 213181422 /nfs/dbraw/zinc/18/14/22/213181422.db2.gz NIWAKHMRGWXHDM-UHFFFAOYSA-N -1 0 325.308 2.191 50 0 EEAARM CN(Cc1cccc(F)c1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000036904908 213126608 /nfs/dbraw/zinc/12/66/08/213126608.db2.gz MTSAZEIBWCHZRG-UHFFFAOYSA-N -1 0 329.374 2.406 50 0 EEAARM CCc1ccc(S(=O)(=O)Nc2cnc(N(C)C)c(C(=O)[O-])c2)cc1 ZINC000035397730 213025337 /nfs/dbraw/zinc/02/53/37/213025337.db2.gz PORBGZVHWJSLDN-UHFFFAOYSA-N -1 0 349.412 2.209 50 0 EEAARM O=C([O-])C1(NC(=O)c2cncc(Br)c2)CCCCC1 ZINC000034956900 213002658 /nfs/dbraw/zinc/00/26/58/213002658.db2.gz HIQQDEDGCUKNMV-UHFFFAOYSA-N -1 0 327.178 2.361 50 0 EEAARM Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)C2(O)CCCC2)CC1 ZINC000072447465 216237198 /nfs/dbraw/zinc/23/71/98/216237198.db2.gz QAJUSIBTUZNPQJ-UHFFFAOYSA-N -1 0 347.411 2.125 50 0 EEAARM COC(=O)C[C@H](c1ccsc1)c1c(=O)nc2ccccn2c1[O-] ZINC000205970966 241043859 /nfs/dbraw/zinc/04/38/59/241043859.db2.gz MUDCQOAGSVOFKL-LLVKDONJSA-N -1 0 330.365 2.157 50 0 EEAARM Cn1c(CCCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)nc2ccccc21 ZINC000426484449 241293676 /nfs/dbraw/zinc/29/36/76/241293676.db2.gz LRFGBVUCXLTOQG-QWHCGFSZSA-N -1 0 329.400 2.123 50 0 EEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)n[nH]1 ZINC000021096455 212205822 /nfs/dbraw/zinc/20/58/22/212205822.db2.gz COPCQZCTDAIWAC-UHFFFAOYSA-N -1 0 343.792 2.349 50 0 EEAARM O=C([O-])[C@H]1C[C@@H](O)CCN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000065460573 304202835 /nfs/dbraw/zinc/20/28/35/304202835.db2.gz CMXNNHKXLGLTCN-DLBZAZTESA-N -1 0 339.391 2.255 50 0 EEAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)CN2CCc3ccccc3C2)C1 ZINC000091848065 218076339 /nfs/dbraw/zinc/07/63/39/218076339.db2.gz GLKNWSDTVJNRES-IBGZPJMESA-N -1 0 330.428 2.148 50 0 EEAARM CC[C@@H](C)C1C(=O)N=C(SCC(=O)N2CCCCCC2)N=C1[O-] ZINC000005095313 210388956 /nfs/dbraw/zinc/38/89/56/210388956.db2.gz FQSMXRNMZQGVSE-LLVKDONJSA-N -1 0 339.461 2.484 50 0 EEAARM COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000004937107 210330127 /nfs/dbraw/zinc/33/01/27/210330127.db2.gz BOJSHDIUIOYIDV-JYRVWZFOSA-N -1 0 341.319 2.279 50 0 biogenic EEAARM COc1ccccc1[C@@]1(CC(=O)[O-])CC(=O)N(C2CCCC2)C1=O ZINC000299792137 258097366 /nfs/dbraw/zinc/09/73/66/258097366.db2.gz DCLFJGOEOIPDCT-SFHVURJKSA-N -1 0 331.368 2.109 50 0 EEAARM C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000124168935 222386204 /nfs/dbraw/zinc/38/62/04/222386204.db2.gz AQURGYMZIFKBKD-ZETCQYMHSA-N -1 0 342.323 2.203 50 0 EEAARM CC(C)(C)OC(=O)N1Cc2c(c3ccccc3n2C=O)C[C@H]1C(=O)[O-] ZINC000002386603 278419584 /nfs/dbraw/zinc/41/95/84/278419584.db2.gz AZIRJPZNFMYXIW-AWEZNQCLSA-N -1 0 344.367 2.426 50 0 EEAARM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)n2)c2nonc21 ZINC000032579208 441560687 /nfs/dbraw/zinc/56/06/87/441560687.db2.gz ZGXSQAKSWKTUHT-UHFFFAOYSA-N -1 0 334.357 2.044 50 0 EEAARM CCSc1nnc([N-]S(=O)(=O)c2ccc(OC)cc2)s1 ZINC000000369019 462557116 /nfs/dbraw/zinc/55/71/16/462557116.db2.gz XAXYQHIDCAPZTH-UHFFFAOYSA-N -1 0 331.444 2.460 50 0 EEAARM CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)[O-] ZINC000001750395 462586609 /nfs/dbraw/zinc/58/66/09/462586609.db2.gz DTHHZOZRIKDHGM-QGHHPUGFSA-N -1 0 347.367 2.096 50 0 biogenic EEAARM CCC[C@@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)[O-] ZINC000002151830 462590539 /nfs/dbraw/zinc/59/05/39/462590539.db2.gz JQUFOIJRAFPUIP-CQSZACIVSA-N -1 0 347.367 2.158 50 0 biogenic EEAARM CCOC(=O)Cc1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000002803671 462604728 /nfs/dbraw/zinc/60/47/28/462604728.db2.gz CJVSPJWSSQJJLH-UHFFFAOYSA-N -1 0 332.428 2.111 50 0 EEAARM COc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2)cc1C(=O)[O-] ZINC000013393035 462891844 /nfs/dbraw/zinc/89/18/44/462891844.db2.gz LIWXPGMFWKKGCX-GFCCVEGCSA-N -1 0 329.352 2.477 50 0 EEAARM COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC000013421023 462893200 /nfs/dbraw/zinc/89/32/00/462893200.db2.gz BRGXRUSFZPLOQO-CYBMUJFWSA-N -1 0 343.379 2.406 50 0 EEAARM CC(C)CCNC(=O)c1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000013692354 462899815 /nfs/dbraw/zinc/89/98/15/462899815.db2.gz OIEVKEKEBHTADE-UHFFFAOYSA-N -1 0 341.458 2.444 50 0 EEAARM Cc1cc(NC[C@H]2CCS(=O)(=O)C2)nc(-c2ccccc2[O-])n1 ZINC000092022554 462920252 /nfs/dbraw/zinc/92/02/52/462920252.db2.gz PYZLDMHGMURJQI-GFCCVEGCSA-N -1 0 333.413 2.004 50 0 EEAARM O=C([O-])c1cc(-c2nccn2CCc2noc(C3CC3)n2)ccc1O ZINC000077356226 462973874 /nfs/dbraw/zinc/97/38/74/462973874.db2.gz OZUBBESWTPSNDM-UHFFFAOYSA-N -1 0 340.339 2.457 50 0 EEAARM O=C1[N-]C(=O)[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)S1 ZINC000020444546 463026674 /nfs/dbraw/zinc/02/66/74/463026674.db2.gz LFORTSNIPHHFSA-GFCCVEGCSA-N -1 0 345.346 2.137 50 0 EEAARM COc1nc2c(cc1C(=O)N[C@@H](CC(=O)[O-])c1ccco1)CCC2 ZINC000095512518 463099707 /nfs/dbraw/zinc/09/97/07/463099707.db2.gz CMOZZJSOKKGSEW-ZDUSSCGKSA-N -1 0 330.340 2.118 50 0 EEAARM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000028259432 463220403 /nfs/dbraw/zinc/22/04/03/463220403.db2.gz NASDASAZFFGBRJ-UHFFFAOYSA-N -1 0 340.351 2.054 50 0 EEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(Cn2cccn2)c1 ZINC000031722483 463351883 /nfs/dbraw/zinc/35/18/83/463351883.db2.gz XIWIEJLOORPSMW-UHFFFAOYSA-N -1 0 332.385 2.337 50 0 EEAARM Cc1cc([C@H]2CCCCN2Cc2cnc3c(C(=O)[O-])cnn3c2)no1 ZINC000097360223 463355676 /nfs/dbraw/zinc/35/56/76/463355676.db2.gz VNQDOZHZCROQIO-OAHLLOKOSA-N -1 0 341.371 2.451 50 0 EEAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)CCO3)c1 ZINC000032795665 463395308 /nfs/dbraw/zinc/39/53/08/463395308.db2.gz JBNRGFNHTSHBCO-UHFFFAOYSA-N -1 0 347.392 2.373 50 0 EEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC000071282835 463412908 /nfs/dbraw/zinc/41/29/08/463412908.db2.gz SCZWQUSDGKNWNL-NEPJUHHUSA-N -1 0 334.763 2.216 50 0 EEAARM CCn1c2ccc([N-]S(=O)(=O)c3c(C)noc3C)cc2oc1=O ZINC000033266485 463419067 /nfs/dbraw/zinc/41/90/67/463419067.db2.gz DAEABPKPHUDFGN-UHFFFAOYSA-N -1 0 337.357 2.020 50 0 EEAARM O=C([O-])C1(O)CCN(C(=O)[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000071735780 463419465 /nfs/dbraw/zinc/41/94/65/463419465.db2.gz YCCVQUVETPRHFF-MRXNPFEDSA-N -1 0 331.412 2.399 50 0 EEAARM Cc1ccc(-c2nnc(CCC(=O)NCc3ccccn3)c(=O)[n-]2)cc1 ZINC000034768800 463428372 /nfs/dbraw/zinc/42/83/72/463428372.db2.gz OLKQGWPVWURICY-UHFFFAOYSA-N -1 0 349.394 2.197 50 0 EEAARM CCSc1ncc(Cl)c(C(=O)N[C@H](CCSC)C(=O)[O-])n1 ZINC000041156291 463470715 /nfs/dbraw/zinc/47/07/15/463470715.db2.gz BUQNZRLWTIMPMH-MRVPVSSYSA-N -1 0 349.865 2.178 50 0 EEAARM O=S(=O)([N-]c1nncs1)c1ccc(Br)cc1F ZINC000161959491 463472023 /nfs/dbraw/zinc/47/20/23/463472023.db2.gz XXOJZVDVNDWPGK-UHFFFAOYSA-N -1 0 338.183 2.241 50 0 EEAARM CN1C(C(=O)Nc2ccccc2)=C([O-])c2ccccc2S1(=O)=O ZINC000059924999 463646536 /nfs/dbraw/zinc/64/65/36/463646536.db2.gz PGUHYTRMLNGOQQ-UHFFFAOYSA-N -1 0 330.365 2.186 50 0 EEAARM Cc1cccc(OC(C)(C)C(=O)N2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)c1 ZINC001772710599 1179301693 /nfs/dbraw/zinc/30/16/93/1179301693.db2.gz BXSNPGZLTYVSCP-KUHUBIRLSA-N -1 0 347.411 2.102 50 0 EEAARM COc1ccc(C(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000105543301 1204869402 /nfs/dbraw/zinc/86/94/02/1204869402.db2.gz BXEXBTWSKGWWBG-UHFFFAOYSA-N -1 0 346.408 2.123 50 0 EEAARM CN(C)C(=O)c1ccc(N2CC[C@](C(=O)[O-])(c3ccccc3)C2)nc1 ZINC001606005998 1351262164 /nfs/dbraw/zinc/26/21/64/1351262164.db2.gz CKEMFKSNMNNUSS-LJQANCHMSA-N -1 0 339.395 2.016 50 0 EEAARM COc1cc(C(=O)[O-])cc(C(=O)N(C)CCCc2c(C)n[nH]c2C)c1 ZINC001506419778 1114602110 /nfs/dbraw/zinc/60/21/10/1114602110.db2.gz WZZPWVZGJHYZJI-UHFFFAOYSA-N -1 0 345.399 2.438 50 0 EEAARM COc1ccc([C@H](CC(=O)[O-])c2oc(C)cc(=O)c2O)cc1OC ZINC001547139686 1124223930 /nfs/dbraw/zinc/22/39/30/1124223930.db2.gz XSRDPSKJZLPKDU-NSHDSACASA-N -1 0 334.324 2.278 50 0 EEAARM CC(C)C[C@]1(CO)CCCN(C(=O)c2cccc(NCC(=O)[O-])c2)C1 ZINC000055370974 214314021 /nfs/dbraw/zinc/31/40/21/214314021.db2.gz QGWRLXMSDIKCQK-LJQANCHMSA-N -1 0 348.443 2.444 50 0 EEAARM CC1(C)CC(=O)C(C(=O)Nc2cccc(N3CCOC3=O)c2)=C([O-])C1 ZINC000100687418 219104173 /nfs/dbraw/zinc/10/41/73/219104173.db2.gz KSSPASQVTQCLGG-UHFFFAOYSA-N -1 0 344.367 2.156 50 0 EEAARM O=C([O-])C[C@H](CC(=O)NC[C@H](O)c1ccccc1)c1ccccc1 ZINC000004325224 210171895 /nfs/dbraw/zinc/17/18/95/210171895.db2.gz QEVBFDMCNMNBMJ-IRXDYDNUSA-N -1 0 327.380 2.485 50 0 EEAARM Cn1c(=O)oc2ccc([N-]S(=O)(=O)c3cccc(F)c3F)cc21 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CC[C@H](C)C1C(=O)N=C(SCC(=O)N2CCCCCC2)N=C1[O-] ZINC000005095314 210388495 /nfs/dbraw/zinc/38/84/95/210388495.db2.gz FQSMXRNMZQGVSE-NSHDSACASA-N -1 0 339.461 2.484 50 0 EEAARM CC(C)(C)OC(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(=O)[O-] ZINC000002539569 258049815 /nfs/dbraw/zinc/04/98/15/258049815.db2.gz IHXHBYFWSOYYTR-ZDUSSCGKSA-N -1 0 332.356 2.200 50 0 EEAARM COc1cccc2c(=O)[nH]nc(Cc3ccc(F)c(C(=O)[O-])c3)c12 ZINC000085224025 295332206 /nfs/dbraw/zinc/33/22/06/295332206.db2.gz UBFACEFMPYXIGD-UHFFFAOYSA-N -1 0 328.299 2.360 50 0 EEAARM CC(C)[C@H](NC(=O)COc1cccc(Br)c1)C(=O)[O-] ZINC000000240010 462549532 /nfs/dbraw/zinc/54/95/32/462549532.db2.gz DMLTZDZSTIQYOF-LBPRGKRZSA-N -1 0 330.178 2.053 50 0 EEAARM COc1ccccc1C[C@H](C(=O)Nc1ccccc1F)c1nnn[n-]1 ZINC000000418780 462560005 /nfs/dbraw/zinc/56/00/05/462560005.db2.gz MBXHMANDBPISSR-LBPRGKRZSA-N -1 0 341.346 2.312 50 0 EEAARM COc1ccc(S(=O)(=O)N(CC(=O)[O-])Cc2ccccc2)cc1C ZINC000002883081 462606320 /nfs/dbraw/zinc/60/63/20/462606320.db2.gz 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462893356 /nfs/dbraw/zinc/89/33/56/462893356.db2.gz BDSWMTBNSXCNGY-QGZVFWFLSA-N -1 0 349.346 2.365 50 0 EEAARM CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(OC)cc2C)cc1 ZINC000013850616 462905096 /nfs/dbraw/zinc/90/50/96/462905096.db2.gz FIKYBUNAMXBQOV-UHFFFAOYSA-N -1 0 348.424 2.093 50 0 EEAARM COc1cc(C=C2SC(=O)NC2=O)c(Br)cc1O ZINC000013843864 462905154 /nfs/dbraw/zinc/90/51/54/462905154.db2.gz CYVANDVYMURXCJ-OQFOIZHKSA-N -1 0 330.159 2.487 50 0 EEAARM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCc2ccccc2F)c1 ZINC000025048584 463106825 /nfs/dbraw/zinc/10/68/25/463106825.db2.gz GBWKNRORVFTMND-UHFFFAOYSA-N -1 0 336.388 2.436 50 0 EEAARM COC(=O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000026423709 463162551 /nfs/dbraw/zinc/16/25/51/463162551.db2.gz UVWBPZKTWPDCPZ-INIZCTEOSA-N -1 0 341.363 2.490 50 0 EEAARM Nc1ccnc(N2CCC[C@@](Cc3ccccc3F)(C(=O)[O-])C2)n1 ZINC000071747608 463421093 /nfs/dbraw/zinc/42/10/93/463421093.db2.gz SUASUPXFJKCQTP-KRWDZBQOSA-N -1 0 330.363 2.112 50 0 EEAARM CCCOc1cccc(-c2nnc(CCC(=O)NC3CC3)c(=O)[n-]2)c1 ZINC000034765285 463428529 /nfs/dbraw/zinc/42/85/29/463428529.db2.gz HNGKDAJGPLCFDB-UHFFFAOYSA-N -1 0 342.399 2.244 50 0 EEAARM Cc1ccc(OCc2occc2C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000072412073 463510259 /nfs/dbraw/zinc/51/02/59/463510259.db2.gz JJDDKBATLNFBMV-HNNXBMFYSA-N -1 0 345.351 2.093 50 0 EEAARM COc1cc(-c2oc3cc(C)n(C)c(=O)c3c2CC(=O)[O-])ccc1O ZINC000604404867 469476935 /nfs/dbraw/zinc/47/69/35/469476935.db2.gz UBRFSBMZZSTVLH-UHFFFAOYSA-N -1 0 343.335 2.448 50 0 biogenic EEAARM C[C@@H](NC(=O)N1CCC(C(=O)[O-])(n2ccnc2)CC1)C1CCCCC1 ZINC000072435488 1286343434 /nfs/dbraw/zinc/34/34/34/1286343434.db2.gz CAXNAKNZZTZURZ-CQSZACIVSA-N -1 0 348.447 2.437 50 0 EEAARM O=C([O-])C[C@H](NC(=O)Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000004651153 210238475 /nfs/dbraw/zinc/23/84/75/210238475.db2.gz ZWFGSSNMZCRVQP-AWEZNQCLSA-N -1 0 327.336 2.290 50 0 EEAARM CCC[C@@H]1CCc2c(sc(NC(=O)/C=C\C(=O)[O-])c2C(N)=O)C1 ZINC000100163597 219093121 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O=C([O-])[C@H]1CS[C@@]2(c3ccc(Br)cc3)CCC(=O)N12 ZINC000003887402 304202333 /nfs/dbraw/zinc/20/23/33/304202333.db2.gz JEHQSUMOUVWRPC-ZWNOBZJWSA-N -1 0 342.214 2.424 50 0 EEAARM Cc1nn(C)cc1-c1cc(C(F)F)c2c(C)nn(CC(=O)[O-])c2n1 ZINC000012395304 211367400 /nfs/dbraw/zinc/36/74/00/211367400.db2.gz SDLWVSNZYWDJFO-UHFFFAOYSA-N -1 0 335.314 2.471 50 0 EEAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000092003807 218102207 /nfs/dbraw/zinc/10/22/07/218102207.db2.gz FEKZTFQFLPYFSJ-SFHVURJKSA-N -1 0 337.391 2.488 50 0 EEAARM Cn1nc(-c2cccc([N-]S(=O)(=O)c3cccs3)c2)ccc1=O ZINC000010324801 211163884 /nfs/dbraw/zinc/16/38/84/211163884.db2.gz KRNAMIDWLTZNQR-UHFFFAOYSA-N -1 0 347.421 2.310 50 0 EEAARM O=C([O-])c1n[nH]c2c1[C@@H](c1ccc(-c3cc[nH]n3)s1)CC(=O)N2 ZINC000067820499 304215961 /nfs/dbraw/zinc/21/59/61/304215961.db2.gz RGKHTHMEBGTXSQ-ZCFIWIBFSA-N -1 0 329.341 2.034 50 0 EEAARM CCCC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2)s1 ZINC000009251768 211057941 /nfs/dbraw/zinc/05/79/41/211057941.db2.gz 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Nc1nccc(N2CCC[C@@](Cc3ccc(F)cc3)(C(=O)[O-])C2)n1 ZINC000071498617 303505528 /nfs/dbraw/zinc/50/55/28/303505528.db2.gz ITLQNYVZBHRIGC-KRWDZBQOSA-N -1 0 330.363 2.112 50 0 EEAARM Cc1cc(I)ccc1NC(=O)/C=C/C(=O)[O-] ZINC000000096765 462542032 /nfs/dbraw/zinc/54/20/32/462542032.db2.gz LTVGRMWGWKEUHQ-SNAWJCMRSA-N -1 0 331.109 2.179 50 0 EEAARM O=C([O-])C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1 ZINC000000151268 462544054 /nfs/dbraw/zinc/54/40/54/462544054.db2.gz ICIVFNJHEOEAAI-INIZCTEOSA-N -1 0 331.393 2.449 50 0 EEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cnn(Cc2ccccc2F)c1 ZINC000002804899 462604696 /nfs/dbraw/zinc/60/46/96/462604696.db2.gz LWYGODGQGCEWRA-UHFFFAOYSA-N -1 0 349.391 2.211 50 0 EEAARM O=C([O-])c1ccc(NC(=O)C(=O)NCc2ccccc2Cl)cc1 ZINC000003468530 462619861 /nfs/dbraw/zinc/61/98/61/462619861.db2.gz AGTFTMMTARHGCG-UHFFFAOYSA-N -1 0 332.743 2.293 50 0 EEAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)nn(C)c2C)cc1 ZINC000005602618 462664259 /nfs/dbraw/zinc/66/42/59/462664259.db2.gz FLUXZEXIQOZZOM-UHFFFAOYSA-N 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/nfs/dbraw/zinc/89/34/13/462893413.db2.gz LZTQFJIINNGJOJ-GFCCVEGCSA-N -1 0 329.352 2.477 50 0 EEAARM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)cc1F ZINC000014135810 462912734 /nfs/dbraw/zinc/91/27/34/462912734.db2.gz BOPFCWUSHWJBTE-UHFFFAOYSA-N -1 0 339.754 2.379 50 0 EEAARM O=C([O-])[C@@H]1CCCCC[C@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000120181899 462970402 /nfs/dbraw/zinc/97/04/02/462970402.db2.gz PAFCTPBLBLIHHC-UKRRQHHQSA-N -1 0 330.384 2.335 50 0 EEAARM O=c1[n-]c(NCCc2nc3ccccc3[nH]2)nnc1-c1ccccc1 ZINC000016675921 462987264 /nfs/dbraw/zinc/98/72/64/462987264.db2.gz YBEVPWGZBWECNS-UHFFFAOYSA-N -1 0 332.367 2.363 50 0 EEAARM COc1ccc(/C=C2\SC(=O)N(CCC(=O)[O-])C2=O)cc1OC ZINC000016667872 462987708 /nfs/dbraw/zinc/98/77/08/462987708.db2.gz LFCKIKUURKBDDA-WQLSENKSSA-N -1 0 337.353 2.215 50 0 EEAARM O=S(=O)([N-]c1ncn(Cc2ccc(F)cc2)n1)c1ccccc1 ZINC000017068247 462993357 /nfs/dbraw/zinc/99/33/57/462993357.db2.gz RRUJMSJACNDCQO-UHFFFAOYSA-N -1 0 332.360 2.266 50 0 EEAARM 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ZINC001529180613 1121355117 /nfs/dbraw/zinc/35/51/17/1121355117.db2.gz FMFHEYHPKNYVMK-UHFFFAOYSA-N -1 0 334.416 2.384 50 0 EEAARM Cc1ccc(-n2nnnc2C2([N-]C(=O)C(F)(F)F)CCCC2)cc1 ZINC000004568314 210224042 /nfs/dbraw/zinc/22/40/42/210224042.db2.gz HFONDLMHOTYDLX-UHFFFAOYSA-N -1 0 339.321 2.419 50 0 EEAARM COCCSc1nnc([N-]S(=O)(=O)c2ccc(C)cc2)s1 ZINC000004439790 210193948 /nfs/dbraw/zinc/19/39/48/210193948.db2.gz ZTQDUHDGZPWERB-UHFFFAOYSA-N -1 0 345.471 2.386 50 0 EEAARM CC[C@@H](C)[C@H](NC(=O)c1cc2c(cc(OC)cc2OC)n1C)C(=O)[O-] ZINC000004000230 210098924 /nfs/dbraw/zinc/09/89/24/210098924.db2.gz MASQGKXAHUAYBN-HWPZZCPQSA-N -1 0 348.399 2.425 50 0 biogenic EEAARM CCn1c(=O)c2ccc(C(=O)NCc3ccccn3)cc2[n-]c1=S ZINC000102354130 219197079 /nfs/dbraw/zinc/19/70/79/219197079.db2.gz HVLCUKCAPKTOCE-UHFFFAOYSA-N -1 0 340.408 2.030 50 0 EEAARM CC(=O)c1cc(C(=O)Nc2ccc(NC(=O)C(=O)[O-])cc2)oc1C ZINC000002979814 209950083 /nfs/dbraw/zinc/95/00/83/209950083.db2.gz HSBXYPPSXBOKAD-UHFFFAOYSA-N -1 0 330.296 2.066 50 0 EEAARM CC[C@@H](C)[C@H](NC(=O)Cn1cc(C(C)=O)c2ccccc21)C(=O)[O-] ZINC000036369935 213092284 /nfs/dbraw/zinc/09/22/84/213092284.db2.gz BSXBUMBYOSDYQO-DIFFPNOSSA-N -1 0 330.384 2.459 50 0 biogenic EEAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000071286677 215753583 /nfs/dbraw/zinc/75/35/83/215753583.db2.gz SJPJZEHNDHBJOB-RYUDHWBXSA-N -1 0 334.763 2.216 50 0 EEAARM CC(C)Oc1cccc(-c2nnc(CCC(=O)NC3CC3)c(=O)[n-]2)c1 ZINC000034764411 212985436 /nfs/dbraw/zinc/98/54/36/212985436.db2.gz HBXUHIMZBBEQFY-UHFFFAOYSA-N -1 0 342.399 2.243 50 0 EEAARM O=C([O-])C1(n2cccn2)CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000072410567 216202846 /nfs/dbraw/zinc/20/28/46/216202846.db2.gz NOUYQGCGTXMQOE-JKSUJKDBSA-N -1 0 339.395 2.089 50 0 EEAARM Cn1c(C(=O)N2CCOC[C@H]2CC(=O)[O-])ccc1-c1ccccc1 ZINC000072411682 216204097 /nfs/dbraw/zinc/20/40/97/216204097.db2.gz YYZPKEWQRXKCAE-CQSZACIVSA-N -1 0 328.368 2.008 50 0 EEAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000013260832 304183478 /nfs/dbraw/zinc/18/34/78/304183478.db2.gz OYKYQUWJFUONDH-JTQLQIEISA-N -1 0 339.775 2.438 50 0 EEAARM CCn1c(Cn2cc(Cl)c(C)n2)nnc1S[C@H](C)C(=O)[O-] ZINC000012394303 211368089 /nfs/dbraw/zinc/36/80/89/211368089.db2.gz MBKRBGHAOWYGEV-MRVPVSSYSA-N -1 0 329.813 2.070 50 0 EEAARM Cc1nn(CCO)cc1-c1c(-c2ccccc2)ncn1[C@@H](C)C(=O)[O-] ZINC000091468427 218010605 /nfs/dbraw/zinc/01/06/05/218010605.db2.gz GXABUHQLLAXJIK-ZDUSSCGKSA-N -1 0 340.383 2.360 50 0 EEAARM CC(C)[C@@H]1CN(C(=O)CN(C)Cc2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000091694279 218049041 /nfs/dbraw/zinc/04/90/41/218049041.db2.gz PLPFKDBZDGJYOU-JKSUJKDBSA-N -1 0 336.407 2.073 50 0 EEAARM COc1cccc(Cl)c1[C@@H](C(=O)[O-])N(C)Cc1nnc(C)o1 ZINC000095382584 218314762 /nfs/dbraw/zinc/31/47/62/218314762.db2.gz QMIGYZKNKURDMK-ZDUSSCGKSA-N -1 0 325.752 2.298 50 0 EEAARM O=C([O-])c1cc(S(=O)(=O)NNc2ccc(Cl)cc2)ccc1O ZINC000006627723 210665963 /nfs/dbraw/zinc/66/59/63/210665963.db2.gz AALDPRNYPLMZEF-UHFFFAOYSA-N -1 0 342.760 2.049 50 0 EEAARM O=C([O-])C[C@@H](NC(=O)CCN1CCCCCC1=O)c1ccccc1 ZINC000299798606 258102460 /nfs/dbraw/zinc/10/24/60/258102460.db2.gz TUWGKXJCBXTBKC-OAHLLOKOSA-N -1 0 332.400 2.111 50 0 EEAARM Cc1cc2ccccc2n1CCC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000055060573 258060961 /nfs/dbraw/zinc/06/09/61/258060961.db2.gz SJYNMBQFVSUCEC-HNNXBMFYSA-N -1 0 330.384 2.042 50 0 EEAARM CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(C(=O)[O-])CC1 ZINC000038342173 278382585 /nfs/dbraw/zinc/38/25/85/278382585.db2.gz NRFQKVVPSMUFLT-UHFFFAOYSA-N -1 0 327.299 2.420 50 0 EEAARM Cc1ncccc1OC1(C(=O)[O-])CCN(C(=O)NC2CCCC2)CC1 ZINC000072430578 302714197 /nfs/dbraw/zinc/71/41/97/302714197.db2.gz QKOFWCRWDWRQLE-UHFFFAOYSA-N -1 0 347.415 2.340 50 0 EEAARM NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCC2 ZINC000002740839 303338633 /nfs/dbraw/zinc/33/86/33/303338633.db2.gz MRLUYNJGGLXDTR-ZJUUUORDSA-N -1 0 348.424 2.331 50 0 EEAARM CC(=O)N1CC[C@@H](N=c2[n-]c(C3CCOCC3)no2)c2ccccc21 ZINC000568960307 319533209 /nfs/dbraw/zinc/53/32/09/319533209.db2.gz MDGBMJZNXZTUJK-OAHLLOKOSA-N -1 0 342.399 2.295 50 0 EEAARM Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(=O)[O-])c(=O)c12 ZINC000000132456 462543825 /nfs/dbraw/zinc/54/38/25/462543825.db2.gz NETUWDXOOGDABU-UHFFFAOYSA-N -1 0 343.364 2.103 50 0 EEAARM Cc1cc(C(=O)NN=Cc2ccc(-c3cccc(C(=O)[O-])c3)o2)[nH]n1 ZINC000001877671 462587746 /nfs/dbraw/zinc/58/77/46/462587746.db2.gz TXRNGADHGGUKPH-UHFFFAOYSA-N -1 0 338.323 2.440 50 0 EEAARM Cc1cc(CC(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)on1 ZINC000091350885 462875577 /nfs/dbraw/zinc/87/55/77/462875577.db2.gz YOTBUWYQVJMERT-JKSUJKDBSA-N -1 0 328.368 2.161 50 0 EEAARM Cc1ccccc1CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000013088748 462884720 /nfs/dbraw/zinc/88/47/20/462884720.db2.gz FUTXQLFAPGLSGF-UHFFFAOYSA-N -1 0 333.409 2.491 50 0 EEAARM Cc1nn2c([n-]1)nc(CN(C)[C@@H](C)c1nc(C)sc1C)cc2=O ZINC000077299655 462964152 /nfs/dbraw/zinc/96/41/52/462964152.db2.gz CTRCXFBUNLVKOO-QMMMGPOBSA-N -1 0 332.433 2.405 50 0 EEAARM O=C([O-])c1cc2c(nc1N1CCC[C@H](Cn3ccnc3)C1)CCC2 ZINC000096137831 463184912 /nfs/dbraw/zinc/18/49/12/463184912.db2.gz HQCLWRGWTSTKLJ-CYBMUJFWSA-N -1 0 326.400 2.382 50 0 EEAARM CCOC(=O)c1c[n-]n(C2CCN(C(=O)C3CCCCC3)CC2)c1=N ZINC000101142423 463376835 /nfs/dbraw/zinc/37/68/35/463376835.db2.gz LYFPFUSDHQSJNK-UHFFFAOYSA-N -1 0 348.447 2.216 50 0 EEAARM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc1F ZINC000032590329 463382181 /nfs/dbraw/zinc/38/21/81/463382181.db2.gz RVKDKFQLNHQVAX-UHFFFAOYSA-N -1 0 343.307 2.472 50 0 EEAARM Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)[O-])n1 ZINC000032623461 463383769 /nfs/dbraw/zinc/38/37/69/463383769.db2.gz SHWOTWXCRPAWBH-UHFFFAOYSA-N -1 0 326.761 2.111 50 0 EEAARM O=C([O-])c1ccccc1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000071288103 463413687 /nfs/dbraw/zinc/41/36/87/463413687.db2.gz JYRULWUKQZBJAD-UHFFFAOYSA-N -1 0 338.363 2.458 50 0 EEAARM CC(C)N(C(=O)c1ccccc1-c1ncn(CC(=O)[O-])n1)C(C)C ZINC000534636972 485550043 /nfs/dbraw/zinc/55/00/43/485550043.db2.gz LMOXSTRQQUHKKG-UHFFFAOYSA-N -1 0 330.388 2.289 50 0 EEAARM CCCc1ncncc1C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000426511770 535549211 /nfs/dbraw/zinc/54/92/11/535549211.db2.gz STAMHFLLKZURMV-IBGZPJMESA-N -1 0 339.395 2.298 50 0 EEAARM CO[C@@H](C)c1nnc([N-]C(=O)c2scc3c2OCCO3)s1 ZINC001529099996 1121312738 /nfs/dbraw/zinc/31/27/38/1121312738.db2.gz LJZMYHRWXCXOGK-LURJTMIESA-N -1 0 327.387 2.331 50 0 EEAARM CC(C)C[C@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC000009546883 201781747 /nfs/dbraw/zinc/78/17/47/201781747.db2.gz VWJFXPYOWMSPKA-STQMWFEESA-N -1 0 342.436 2.249 50 0 EEAARM CCn1cc(Br)cc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000036856649 201799595 /nfs/dbraw/zinc/79/95/95/201799595.db2.gz ARSRJPORFQYEGI-JTQLQIEISA-N -1 0 329.194 2.350 50 0 EEAARM O=C([O-])/C=C/c1coc2cc(I)ccc2c1=O ZINC000000552166 304023673 /nfs/dbraw/zinc/02/36/73/304023673.db2.gz KZDNYXZYKPEZIX-DAFODLJHSA-N -1 0 342.088 2.495 50 0 EEAARM O=C([O-])CCCNC(=O)Cn1ccc2c1cccc2Br ZINC000040268832 213286860 /nfs/dbraw/zinc/28/68/60/213286860.db2.gz MZWVJYYNMDPCID-UHFFFAOYSA-N -1 0 339.189 2.385 50 0 EEAARM C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cccs2)C1=O ZINC000023946807 202110019 /nfs/dbraw/zinc/11/00/19/202110019.db2.gz XTBAFMITYFSTRO-QGZVFWFLSA-N -1 0 343.408 2.336 50 0 EEAARM O=C([O-])COCC(=O)Nc1scc2c1c(=O)oc1ccccc21 ZINC000017068526 304070002 /nfs/dbraw/zinc/07/00/02/304070002.db2.gz AFLLHCXSOKVVII-UHFFFAOYSA-N -1 0 333.321 2.047 50 0 EEAARM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3cccnc3)cc21 ZINC000032943681 202243859 /nfs/dbraw/zinc/24/38/59/202243859.db2.gz ZNPCLLUBAWJDQH-UHFFFAOYSA-N -1 0 349.437 2.341 50 0 EEAARM O=c1c2[n-][nH]n(-c3cccc(F)c3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000033114661 202250973 /nfs/dbraw/zinc/25/09/73/202250973.db2.gz KRERTYVISMUZMF-KGLIPLIRSA-N -1 0 328.278 2.463 50 0 EEAARM CCCc1cc(C(N)=O)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])s1 ZINC000017070715 284105673 /nfs/dbraw/zinc/10/56/73/284105673.db2.gz ARJHWOYQCJAHLP-QWRGUYRKSA-N -1 0 336.413 2.405 50 0 EEAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)[C@H]3CC34CCC4)CC2)cn1 ZINC000072418896 203218442 /nfs/dbraw/zinc/21/84/42/203218442.db2.gz SBGNYDJMIHGQQY-OAHLLOKOSA-N -1 0 344.411 2.405 50 0 EEAARM O=C([O-])[C@H]1CCCN(C(=O)COc2ccc(Br)cc2)C1 ZINC000013170615 207369997 /nfs/dbraw/zinc/36/99/97/207369997.db2.gz XWRQKZVNKJGNTR-JTQLQIEISA-N -1 0 342.189 2.151 50 0 EEAARM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccnc2)ccc1OC ZINC000016626880 257950443 /nfs/dbraw/zinc/95/04/43/257950443.db2.gz VDRNUVDNQRPDNP-UHFFFAOYSA-N -1 0 349.412 2.031 50 0 EEAARM CC(C)C(=O)N[C@@]1(C(F)(F)F)[N-]c2nc3ccccc3n2C1=O ZINC000005210211 278691585 /nfs/dbraw/zinc/69/15/85/278691585.db2.gz MYAMYTLXPLFIIY-CYBMUJFWSA-N -1 0 326.278 2.133 50 0 EEAARM Cc1nc2sc([C@@H](c3ccccc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022458737 302685679 /nfs/dbraw/zinc/68/56/79/302685679.db2.gz OANZQUSTOKCTSG-CQSZACIVSA-N -1 0 343.456 2.142 50 0 EEAARM COc1ncc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 ZINC000085557376 462552957 /nfs/dbraw/zinc/55/29/57/462552957.db2.gz VMLOISRIDXPAPL-UHFFFAOYSA-N -1 0 333.291 2.305 50 0 EEAARM O=C1NC(c2ccccc2)=N[C@@]1([N-]c1nccs1)C(F)(F)F ZINC000002504185 462594426 /nfs/dbraw/zinc/59/44/26/462594426.db2.gz FYKDZISDAFZFIL-LBPRGKRZSA-N -1 0 326.303 2.390 50 0 EEAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000005252798 462652022 /nfs/dbraw/zinc/65/20/22/462652022.db2.gz KKAIJFUFXLMMCE-UHFFFAOYSA-N -1 0 332.381 2.381 50 0 EEAARM CCCCN1C(=O)[N-]C(=O)C(=C(C)Nc2ccc(N(C)C)cc2)C1=O ZINC000009090037 462798967 /nfs/dbraw/zinc/79/89/67/462798967.db2.gz WUKGENHVWDFUII-NTCAYCPXSA-N -1 0 344.415 2.317 50 0 EEAARM CCn1c(Cn2cc(Cl)c(C)n2)nnc1S[C@@H](C)C(=O)[O-] ZINC000012394301 462852013 /nfs/dbraw/zinc/85/20/13/462852013.db2.gz MBKRBGHAOWYGEV-QMMMGPOBSA-N -1 0 329.813 2.070 50 0 EEAARM CCOC(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(F)ccc32)CC1 ZINC000012409066 462852710 /nfs/dbraw/zinc/85/27/10/462852710.db2.gz JHHDIQMBCDLNJR-HNNXBMFYSA-N -1 0 349.362 2.207 50 0 EEAARM CNC(=O)CCc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000066197190 462863425 /nfs/dbraw/zinc/86/34/25/462863425.db2.gz ZTTGQLKTSCINFS-UHFFFAOYSA-N -1 0 326.352 2.316 50 0 EEAARM O=C([O-])C1(C(=O)N2CC(OCc3cccc4ccccc43)C2)CC1 ZINC000118988027 462864339 /nfs/dbraw/zinc/86/43/39/462864339.db2.gz ZJGWFPZMDSJIRO-UHFFFAOYSA-N -1 0 325.364 2.432 50 0 EEAARM O=C([O-])c1ccc(OCC(=O)N2CCCC2)c(Br)c1 ZINC000013034996 462883911 /nfs/dbraw/zinc/88/39/11/462883911.db2.gz QVTIOIZCXVUNGV-UHFFFAOYSA-N -1 0 328.162 2.149 50 0 EEAARM COc1ccc(CNC(=O)COc2ccccc2C)cc1C(=O)[O-] ZINC000013392983 462892025 /nfs/dbraw/zinc/89/20/25/462892025.db2.gz KCNQBSDANLQCKD-UHFFFAOYSA-N -1 0 329.352 2.397 50 0 EEAARM Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000013468189 462893915 /nfs/dbraw/zinc/89/39/15/462893915.db2.gz ZNARMSYAXRTEKI-STQMWFEESA-N -1 0 337.397 2.004 50 0 EEAARM CC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000018194392 463008249 /nfs/dbraw/zinc/00/82/49/463008249.db2.gz NYIDLVHKPFMIAR-DOTOQJQBSA-N -1 0 333.347 2.010 50 0 EEAARM CC(NCc1ccco1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000020266416 463025486 /nfs/dbraw/zinc/02/54/86/463025486.db2.gz NHQDCIRBEKUYGQ-QINSGFPZSA-N -1 0 339.351 2.235 50 0 EEAARM C[C@H](c1ccccc1)n1c(Cn2cccn2)nnc1SCC(=O)[O-] ZINC000067712828 463042749 /nfs/dbraw/zinc/04/27/49/463042749.db2.gz PZZIBBOOOBECLK-GFCCVEGCSA-N -1 0 343.412 2.309 50 0 EEAARM CC(C)Cc1noc([C@@H]2CCCN(c3ncncc3C(=O)[O-])C2)n1 ZINC000095353751 463067237 /nfs/dbraw/zinc/06/72/37/463067237.db2.gz BTGYSEMKXGAZAH-LLVKDONJSA-N -1 0 331.376 2.140 50 0 EEAARM Cc1ncsc1CCC(=O)NCCc1nc(C)c(C(=O)[O-])s1 ZINC000095360116 463068734 /nfs/dbraw/zinc/06/87/34/463068734.db2.gz OUWUHGFJOPZTHQ-UHFFFAOYSA-N -1 0 339.442 2.206 50 0 EEAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCN3CCCC3=O)C2)cc1 ZINC000095392268 463073514 /nfs/dbraw/zinc/07/35/14/463073514.db2.gz ZJCXGWLLKVFLGX-MRXNPFEDSA-N -1 0 344.411 2.103 50 0 EEAARM CCCc1nnc([N-]S(=O)(=O)c2ccc(OC)cc2OC)s1 ZINC000028248613 463220989 /nfs/dbraw/zinc/22/09/89/463220989.db2.gz ULOMVLUYWZSSFQ-UHFFFAOYSA-N -1 0 343.430 2.309 50 0 EEAARM Cc1c2cc(F)ccc2[nH]c1CN1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000097334184 463354610 /nfs/dbraw/zinc/35/46/10/463354610.db2.gz JQIVPRWVFKQONP-INIZCTEOSA-N -1 0 328.347 2.350 50 0 EEAARM O=C(N[C@H](CO)c1ccc(F)cc1)c1cc(=O)c2cccc(F)c2[n-]1 ZINC000097522312 463360262 /nfs/dbraw/zinc/36/02/62/463360262.db2.gz BCFVQMKKROROGL-OAHLLOKOSA-N -1 0 344.317 2.270 50 0 EEAARM C[C@H](CN(C)C(=O)c1ccc(F)cc1C(F)(F)F)c1nnn[n-]1 ZINC000124370553 463415376 /nfs/dbraw/zinc/41/53/76/463415376.db2.gz SLTXPJKASPQJKP-SSDOTTSWSA-N -1 0 331.273 2.233 50 0 EEAARM C[C@H](NC(=O)CCn1ccc2c1cccc2Br)C(=O)[O-] ZINC000040313085 463454164 /nfs/dbraw/zinc/45/41/64/463454164.db2.gz DNUWQJPKIHTCED-VIFPVBQESA-N -1 0 339.189 2.383 50 0 biogenic EEAARM C[C@@H]1C[C@H]1C(=O)N[C@@H](Cc1sccc1Br)C(=O)[O-] ZINC000585134185 468984378 /nfs/dbraw/zinc/98/43/78/468984378.db2.gz HDFCMIPOXPJNMR-BHNWBGBOSA-N -1 0 332.219 2.279 50 0 EEAARM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)CCc3cc(=O)[n-]o3)nc2c1 ZINC000072454806 1253497416 /nfs/dbraw/zinc/49/74/16/1253497416.db2.gz ZOBLRZFKDRVNCN-OAHLLOKOSA-N -1 0 340.383 2.449 50 0 EEAARM O=C([O-])c1cccc(N2C(=O)C[C@H](n3cnc4ccccc43)C2=O)c1 ZINC000019809944 202022100 /nfs/dbraw/zinc/02/21/00/202022100.db2.gz HMNADRURGUTBSE-HNNXBMFYSA-N -1 0 335.319 2.239 50 0 EEAARM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000032585743 212812721 /nfs/dbraw/zinc/81/27/21/212812721.db2.gz YBSPAFBWDYOXDJ-UHFFFAOYSA-N -1 0 325.317 2.090 50 0 EEAARM CCC[C@H](NC(=O)c1cc2c(cc(OC)cc2OC)n1C)C(=O)[O-] ZINC000035686340 202308562 /nfs/dbraw/zinc/30/85/62/202308562.db2.gz BXDUTHVAJOEEHG-LBPRGKRZSA-N -1 0 334.372 2.179 50 0 EEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)cn1 ZINC000006715479 304099490 /nfs/dbraw/zinc/09/94/90/304099490.db2.gz NGRZYVGUKDVVQG-VHSXEESVSA-N -1 0 325.162 2.450 50 0 EEAARM Cc1cc(C)n(C2CN(CCC(=O)Nc3ccsc3C(=O)[O-])C2)n1 ZINC000244715813 243063205 /nfs/dbraw/zinc/06/32/05/243063205.db2.gz LCWCIAXJVDSHLN-UHFFFAOYSA-N -1 0 348.428 2.145 50 0 EEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000006668202 201689961 /nfs/dbraw/zinc/68/99/61/201689961.db2.gz DCOZEFNXRFMYNE-DLBZAZTESA-N -1 0 346.427 2.348 50 0 EEAARM CCCCc1nc(Cl)c(-c2nccn2[C@@H](C)c2n[nH]c(=O)[n-]2)[nH]1 ZINC000071777250 203112931 /nfs/dbraw/zinc/11/29/31/203112931.db2.gz ZODVWBIDKKXTCB-QMMMGPOBSA-N -1 0 335.799 2.290 50 0 EEAARM Nc1cc(C(=O)N2CCC(Cc3cccc(C(=O)[O-])c3)CC2)ccn1 ZINC000072145607 203170003 /nfs/dbraw/zinc/17/00/03/203170003.db2.gz CYXPMZGLKNQZFX-UHFFFAOYSA-N -1 0 339.395 2.457 50 0 EEAARM O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)CCCn3cccn3)C2)c1 ZINC000072146219 203170279 /nfs/dbraw/zinc/17/02/79/203170279.db2.gz YUMZDPBHXOKRDA-INIZCTEOSA-N -1 0 341.411 2.453 50 0 EEAARM CCn1ccnc1CN(C)c1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000072429263 203223032 /nfs/dbraw/zinc/22/30/32/203223032.db2.gz HILCCYTXKHHCOC-UHFFFAOYSA-N -1 0 338.371 2.090 50 0 EEAARM CC(C)C[C@@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC000095471289 203748283 /nfs/dbraw/zinc/74/82/83/203748283.db2.gz VWJFXPYOWMSPKA-QWHCGFSZSA-N -1 0 342.436 2.249 50 0 EEAARM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cccc(CC)c1 ZINC000047417804 204338390 /nfs/dbraw/zinc/33/83/90/204338390.db2.gz VGFCUBVHZMFPNQ-UHFFFAOYSA-N -1 0 337.401 2.258 50 0 EEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 ZINC000128572590 205151589 /nfs/dbraw/zinc/15/15/89/205151589.db2.gz JTKZEOIBRWPSMS-OAHLLOKOSA-N -1 0 326.352 2.183 50 0 EEAARM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)C)ccc12 ZINC000000518884 205481086 /nfs/dbraw/zinc/48/10/86/205481086.db2.gz SGONTALMSQZNQG-MEDUHNTESA-N -1 0 347.367 2.094 50 0 biogenic EEAARM C[C@@](CC(=O)Nc1sccc1C(N)=O)(C(=O)[O-])c1ccccc1 ZINC000013255796 207367110 /nfs/dbraw/zinc/36/71/10/207367110.db2.gz IIZQYQIWVJSXKB-INIZCTEOSA-N -1 0 332.381 2.218 50 0 EEAARM COc1ccc(C)cc1CC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000013436658 207445491 /nfs/dbraw/zinc/44/54/91/207445491.db2.gz DDRAKDKLMJDOQW-QGZVFWFLSA-N -1 0 341.363 2.425 50 0 EEAARM CO[C@H]1CCCOC12CCN(C(=O)c1ccc(C(=O)[O-])s1)CC2 ZINC000097694814 294523493 /nfs/dbraw/zinc/52/34/93/294523493.db2.gz PFHYOQZHKIGKMY-ZDUSSCGKSA-N -1 0 339.413 2.247 50 0 EEAARM Cc1cc([N-]C(NC(=O)N(C)C)(C(F)(F)F)C(F)(F)F)no1 ZINC000001044130 301362418 /nfs/dbraw/zinc/36/24/18/301362418.db2.gz ZMFKLKDPRVJRHC-UHFFFAOYSA-N -1 0 334.220 2.487 50 0 EEAARM O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000000463320 462564472 /nfs/dbraw/zinc/56/44/72/462564472.db2.gz BCHNMCGVLWTFRJ-GFCCVEGCSA-N -1 0 346.339 2.343 50 0 EEAARM CCC(CC)C(=O)Nc1ccc2c(c1)C(=O)N(CCC(=O)[O-])C2=O ZINC000001010683 462574300 /nfs/dbraw/zinc/57/43/00/462574300.db2.gz UHMBHEGBNJMUSA-UHFFFAOYSA-N -1 0 332.356 2.132 50 0 EEAARM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000002083413 462589399 /nfs/dbraw/zinc/58/93/99/462589399.db2.gz FMUHXOODFSGABP-CYBMUJFWSA-N -1 0 342.436 2.249 50 0 EEAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1C(N)=O ZINC000002766909 462601818 /nfs/dbraw/zinc/60/18/18/462601818.db2.gz FLVXSHGBCSLTLK-MNOVXSKESA-N -1 0 336.413 2.323 50 0 EEAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c(C)c2oc1=O ZINC000004063742 462628304 /nfs/dbraw/zinc/62/83/04/462628304.db2.gz XVYICQFCAUYSAL-RYUDHWBXSA-N -1 0 347.367 2.075 50 0 biogenic EEAARM CC1(C)CC(=O)C(=N[N-]c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)C1 ZINC000004750946 462637186 /nfs/dbraw/zinc/63/71/86/462637186.db2.gz QEHDNCHIZRQSBO-UHFFFAOYSA-N -1 0 333.300 2.050 50 0 EEAARM COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c([O-])c(Cl)c1 ZINC000005027724 462643731 /nfs/dbraw/zinc/64/37/31/462643731.db2.gz XVTLXMZDRWXNOP-JTQLQIEISA-N -1 0 331.155 2.500 50 0 EEAARM O=C([O-])C[S@](=O)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000005511518 462661509 /nfs/dbraw/zinc/66/15/09/462661509.db2.gz OWIOYABQRAHVQC-NRFANRHFSA-N -1 0 343.710 2.131 50 0 EEAARM CC(NCc1ccccc1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000005685574 462665833 /nfs/dbraw/zinc/66/58/33/462665833.db2.gz GSCGEHSOUOORKW-VKAVYKQESA-N -1 0 349.390 2.329 50 0 EEAARM COc1ccccc1C[C@@H](C(=O)Nc1ccc(F)cc1)c1nnn[n-]1 ZINC000006259439 462681153 /nfs/dbraw/zinc/68/11/53/462681153.db2.gz QHCIQCDOYFIUAC-CQSZACIVSA-N -1 0 341.346 2.312 50 0 EEAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000013195093 462886999 /nfs/dbraw/zinc/88/69/99/462886999.db2.gz JFJLJEJLUIYNOG-UHFFFAOYSA-N -1 0 346.364 2.070 50 0 EEAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc3c2NCCC3)C1 ZINC000091595980 462890502 /nfs/dbraw/zinc/89/05/02/462890502.db2.gz WIHRQXWOQCNULN-LJQANCHMSA-N -1 0 346.427 2.388 50 0 EEAARM CCn1ccc(-c2cc(C(=O)[O-])n3ncc(Br)c3n2)n1 ZINC000013645291 462898811 /nfs/dbraw/zinc/89/88/11/462898811.db2.gz PGYPNOJYPNWSIY-UHFFFAOYSA-N -1 0 336.149 2.073 50 0 EEAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000017071544 462994517 /nfs/dbraw/zinc/99/45/17/462994517.db2.gz CMCVRACAUOXSBA-NANBGGJNSA-N -1 0 342.439 2.472 50 0 EEAARM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C1 ZINC000102855812 463391905 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Cc1cc(C(=O)N2CCC[C@@H](c3ccnn3CC(=O)[O-])C2)cs1 ZINC000426484361 241294540 /nfs/dbraw/zinc/29/45/40/241294540.db2.gz AYVYQVGVNMBNIV-GFCCVEGCSA-N -1 0 333.413 2.357 50 0 EEAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(OCc3cccnc3)CC2)C1 ZINC000426503056 241299855 /nfs/dbraw/zinc/29/98/55/241299855.db2.gz DQQNDGGAOZTQOS-LSDHHAIUSA-N -1 0 332.400 2.090 50 0 EEAARM O=C([O-])CC[C@H](CNS(=O)(=O)c1ccc(F)cc1)C(F)(F)F ZINC000001802366 201520571 /nfs/dbraw/zinc/52/05/71/201520571.db2.gz LPIUZVCZRBCQPN-MRVPVSSYSA-N -1 0 343.298 2.147 50 0 EEAARM CCOc1ccc2nc(NC(=O)c3nn(C)cc3C(=O)[O-])sc2c1 ZINC000020615141 212155907 /nfs/dbraw/zinc/15/59/07/212155907.db2.gz BGPHIAFBKAEGDP-UHFFFAOYSA-N -1 0 346.368 2.379 50 0 EEAARM CN(C)C(=O)c1ccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)cc1Cl ZINC000071284900 203089483 /nfs/dbraw/zinc/08/94/83/203089483.db2.gz JZRUGAQDTRHTAR-VXGBXAGGSA-N -1 0 338.791 2.337 50 0 EEAARM O=C([O-])c1ccc(=O)n(CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000077099205 203370822 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EEAARM COc1cc2c(cc1[C@@H]1CC(=O)Nc3[nH]nc(C(=O)[O-])c31)CCC2 ZINC000065387860 295043116 /nfs/dbraw/zinc/04/31/16/295043116.db2.gz PFJALSWKASLMJN-NSHDSACASA-N -1 0 327.340 2.079 50 0 EEAARM Cc1n[nH]c(C)c1[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000067850557 302521955 /nfs/dbraw/zinc/52/19/55/302521955.db2.gz UOWHGDACRTXKHB-ZJZJNUNYSA-N -1 0 331.416 2.485 50 0 EEAARM NC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])CCC2 ZINC000005725587 303338791 /nfs/dbraw/zinc/33/87/91/303338791.db2.gz UFECHNNGYUEGAX-BDAKNGLRSA-N -1 0 336.413 2.165 50 0 EEAARM COC(=O)[C@@]([N-]C(=O)C(F)(F)F)(c1cccs1)C(F)(F)F ZINC000002601312 462595299 /nfs/dbraw/zinc/59/52/99/462595299.db2.gz KCFYXQYGIBVKAO-QMMMGPOBSA-N -1 0 335.225 2.357 50 0 EEAARM CCOC(=O)CC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000000045279 462540586 /nfs/dbraw/zinc/54/05/86/462540586.db2.gz HQUFEYAOSDZFFF-UHFFFAOYSA-N -1 0 330.134 2.039 50 0 EEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000000142067 462543776 /nfs/dbraw/zinc/54/37/76/462543776.db2.gz KMLRYXQYXFFCOC-UHFFFAOYSA-N -1 0 333.369 2.155 50 0 EEAARM Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)[O-])cc12 ZINC000000211640 462548790 /nfs/dbraw/zinc/54/87/90/462548790.db2.gz XAHXLRUIRPTHNW-UHFFFAOYSA-N -1 0 343.383 2.183 50 0 EEAARM O=C([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Br ZINC000000246281 462551335 /nfs/dbraw/zinc/55/13/35/462551335.db2.gz DSYOIFDAVMWXDP-UHFFFAOYSA-N -1 0 348.218 2.322 50 0 EEAARM Cc1cc(-c2ccncc2)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1 ZINC000000406539 462559167 /nfs/dbraw/zinc/55/91/67/462559167.db2.gz VNQIPWOPKHNLBV-UHFFFAOYSA-N -1 0 341.396 2.230 50 0 EEAARM CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1)C(=O)[O-] ZINC000001750416 462585956 /nfs/dbraw/zinc/58/59/56/462585956.db2.gz ZZZOCTGZIOGBLT-BXUZGUMPSA-N -1 0 347.367 2.238 50 0 biogenic EEAARM Cc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1C(=O)[O-] ZINC000003325310 462615984 /nfs/dbraw/zinc/61/59/84/462615984.db2.gz LDRAJZBKANEPNM-UHFFFAOYSA-N -1 0 337.372 2.353 50 0 EEAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000005252707 462652304 /nfs/dbraw/zinc/65/23/04/462652304.db2.gz VCMWKECPLMWELN-UHFFFAOYSA-N -1 0 333.369 2.056 50 0 EEAARM C[C@@H](O)CNc1c(C(=O)[O-])cnc2ccc(Br)cc21 ZINC000005610151 462664335 /nfs/dbraw/zinc/66/43/35/462664335.db2.gz DHHJCPTWESKJBI-SSDOTTSWSA-N -1 0 325.162 2.488 50 0 EEAARM O=C(Nc1cc(=O)nc2[n-]c(CCc3ccccc3)nn21)c1ccco1 ZINC000009332574 462801241 /nfs/dbraw/zinc/80/12/41/462801241.db2.gz QCCSRCLWFFFZIV-UHFFFAOYSA-N -1 0 349.350 2.048 50 0 EEAARM CC(C)CNC(=O)Nc1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000013348888 462890899 /nfs/dbraw/zinc/89/08/99/462890899.db2.gz FCJSSJWUPGBKNQ-UHFFFAOYSA-N -1 0 342.446 2.445 50 0 EEAARM Cc1c([O-])c2c(O)c3c(oc-2cc1=O)[C@@H](O)Oc1cc(O)ccc1-3 ZINC000013378578 462891654 /nfs/dbraw/zinc/89/16/54/462891654.db2.gz NCWLTPKGFNPAMP-KRWDZBQOSA-N -1 0 328.276 2.269 50 0 biogenic,in-vitro EEAARM O=C([O-])c1ccc(CCNC(=O)[C@@H]2COc3ccccc3C2)cc1 ZINC000013443657 462893478 /nfs/dbraw/zinc/89/34/78/462893478.db2.gz IKKVTOXQSFOCLY-INIZCTEOSA-N -1 0 325.364 2.295 50 0 EEAARM CCSCCC(=O)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)[O-])C1 ZINC000095368246 463070460 /nfs/dbraw/zinc/07/04/60/463070460.db2.gz GEKWFPGKVBZKBE-KBXCAEBGSA-N -1 0 349.452 2.294 50 0 EEAARM CCSCCC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 ZINC000096180647 463193360 /nfs/dbraw/zinc/19/33/60/463193360.db2.gz SCAURAWXFVIXRK-CXAGYDPISA-N -1 0 335.425 2.219 50 0 EEAARM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1F ZINC000032585682 463381768 /nfs/dbraw/zinc/38/17/68/463381768.db2.gz CZMUEMCIRMVICB-UHFFFAOYSA-N -1 0 325.317 2.333 50 0 EEAARM Cn1c(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cc2cccc(Cl)c21 ZINC000072439921 463511057 /nfs/dbraw/zinc/51/10/57/463511057.db2.gz HUUHWPYCYZLRNX-NSHDSACASA-N -1 0 336.775 2.147 50 0 EEAARM Cc1nc(CN(C)S(=O)(=O)c2csc(C(=O)[O-])c2)cs1 ZINC000106365023 463511164 /nfs/dbraw/zinc/51/11/64/463511164.db2.gz JCCXADOTJROWEP-UHFFFAOYSA-N -1 0 332.428 2.032 50 0 EEAARM O=C(N[C@H]1CCc2ccccc2C1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000220045529 464114085 /nfs/dbraw/zinc/11/40/85/464114085.db2.gz OBDOSYYTLQYFJF-INIZCTEOSA-N -1 0 333.391 2.453 50 0 EEAARM Cn1cc([C@H](NC(=O)c2ccc([O-])c(Cl)c2)C2CC(O)C2)cn1 ZINC000223687467 464144981 /nfs/dbraw/zinc/14/49/81/464144981.db2.gz YOYLHWVCPDPFIW-MBRGGSNBSA-N -1 0 335.791 2.021 50 0 EEAARM CN(C)[C@@H](C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000248070904 464728414 /nfs/dbraw/zinc/72/84/14/464728414.db2.gz AVIAGLSNINOMDS-XNRPHZJLSA-N -1 0 336.407 2.436 50 0 EEAARM O=C([O-])[C@]12C[C@@]1(C(=O)[O-])C[N@H+](Cc1c(Cl)cccc1Cl)C2 ZINC001772704228 1179289638 /nfs/dbraw/zinc/28/96/38/1179289638.db2.gz PTYXJMHJJZATRY-OKILXGFUSA-N -1 0 330.167 2.355 50 0 EEAARM O=C([O-])[C@@H]1COCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC001772809495 1410369812 /nfs/dbraw/zinc/36/98/12/1410369812.db2.gz CDZMCVVUZDBGMQ-INIZCTEOSA-N -1 0 342.395 2.194 50 0 EEAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1ccccc1N1CCCC1)C(=O)[O-] ZINC000198183076 782801164 /nfs/dbraw/zinc/80/11/64/782801164.db2.gz MZYIUKXYWQFZNV-INIZCTEOSA-N -1 0 342.399 2.182 50 0 EEAARM CC(C)CCn1c(CN2C[C@H](O)C[C@H]2C(=O)[O-])nc2ccccc21 ZINC000821182120 798604379 /nfs/dbraw/zinc/60/43/79/798604379.db2.gz YKEGPPIJJJXQEH-CJNGLKHVSA-N -1 0 331.416 2.102 50 0 EEAARM CSC[C@H](NC(=O)N1CCC2(CCc3ccccc32)CC1)C(=O)[O-] ZINC000824913643 800300565 /nfs/dbraw/zinc/30/05/65/800300565.db2.gz COPMLKFOBCEVJN-HNNXBMFYSA-N -1 0 348.468 2.492 50 0 EEAARM Cc1nn(CCNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C)c1Cl ZINC000035670963 201762667 /nfs/dbraw/zinc/76/26/67/201762667.db2.gz DCUSHWYLVZRYTQ-NWDGAFQWSA-N -1 0 327.812 2.161 50 0 EEAARM COc1cc(Br)c([C@@H]2N[C@H](C(=O)[O-])CS2)cc1OC ZINC000019737368 202018144 /nfs/dbraw/zinc/01/81/44/202018144.db2.gz YOSZSKVNPCYDIV-GZMMTYOYSA-N -1 0 348.218 2.255 50 0 EEAARM CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc(Br)c1O ZINC000019737355 202018075 /nfs/dbraw/zinc/01/80/75/202018075.db2.gz RKOSVMICMGPCSO-LDYMZIIASA-N -1 0 348.218 2.342 50 0 EEAARM 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CCN1C(=O)N/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)C1=O ZINC000004516929 201604635 /nfs/dbraw/zinc/60/46/35/201604635.db2.gz XEMAXOHEAUPMBD-GXDHUFHOSA-N -1 0 325.324 2.088 50 0 EEAARM CCCc1cc(C(N)=O)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])s1 ZINC000017070716 284106039 /nfs/dbraw/zinc/10/60/39/284106039.db2.gz ARJHWOYQCJAHLP-GHMZBOCLSA-N -1 0 336.413 2.405 50 0 EEAARM Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)c2)n1 ZINC000071288003 203091271 /nfs/dbraw/zinc/09/12/71/203091271.db2.gz WOSFEGYHSINVBS-KBPBESRZSA-N -1 0 341.367 2.041 50 0 EEAARM O=C([O-])C1(n2cccn2)CCN(c2nc(-c3ccccc3)no2)CC1 ZINC000072454694 203228282 /nfs/dbraw/zinc/22/82/82/203228282.db2.gz NXEOPXDSJQDDCE-UHFFFAOYSA-N -1 0 339.355 2.013 50 0 EEAARM COc1nccnc1N1CCC(Oc2ccccc2F)(C(=O)[O-])CC1 ZINC000072424373 203221542 /nfs/dbraw/zinc/22/15/42/203221542.db2.gz MLXDELRSYPBHLQ-UHFFFAOYSA-N -1 0 347.346 2.127 50 0 EEAARM O=c1c2[n-][nH]n(-c3ccc(F)cc3)c=2c(=O)n1-c1cccc(F)c1 ZINC000102820823 204051347 /nfs/dbraw/zinc/05/13/47/204051347.db2.gz UEVUVJDVPTYUIB-KGLIPLIRSA-N -1 0 328.278 2.463 50 0 EEAARM CC[C@@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C(=O)[O-] ZINC000004061463 205676267 /nfs/dbraw/zinc/67/62/67/205676267.db2.gz JLUBPCLAVWLFNZ-CQSZACIVSA-N -1 0 347.367 2.022 50 0 biogenic EEAARM CNC(=O)c1cccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000013249183 207368196 /nfs/dbraw/zinc/36/81/96/207368196.db2.gz UQDITAGAXOXPLT-IBGZPJMESA-N -1 0 340.379 2.417 50 0 EEAARM CC1(C)Cc2c(sc3[nH]c(SCC(=O)[O-])nc(=O)c23)CO1 ZINC000008584530 281369959 /nfs/dbraw/zinc/36/99/59/281369959.db2.gz YTHKDBDZPVYZMQ-UHFFFAOYSA-N -1 0 326.399 2.013 50 0 EEAARM COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4)c(C(=O)[O-])c1OC ZINC000032123977 295115329 /nfs/dbraw/zinc/11/53/29/295115329.db2.gz HIRGVNOZDWXNDM-UHFFFAOYSA-N -1 0 346.427 2.448 50 0 biogenic EEAARM CC(C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000000166194 462545868 /nfs/dbraw/zinc/54/58/68/462545868.db2.gz KVNFXYSAEPLUHG-SNVBAGLBSA-N -1 0 325.308 2.093 50 0 EEAARM O=C([O-])CS[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000000547436 462570104 /nfs/dbraw/zinc/57/01/04/462570104.db2.gz JVBPWORHZOGJBF-VIFPVBQESA-N -1 0 334.180 2.443 50 0 EEAARM Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000001750392 462587040 /nfs/dbraw/zinc/58/70/40/462587040.db2.gz PSGKCCOGFGTWMR-AWEZNQCLSA-N -1 0 347.367 2.096 50 0 biogenic EEAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000002422209 462593158 /nfs/dbraw/zinc/59/31/58/462593158.db2.gz FMUHXOODFSGABP-ZDUSSCGKSA-N -1 0 342.436 2.249 50 0 EEAARM COCCNC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000002970217 462607806 /nfs/dbraw/zinc/60/78/06/462607806.db2.gz QVYATTCBDFYGGI-UHFFFAOYSA-N -1 0 349.456 2.382 50 0 EEAARM COc1cc(C(=O)[O-])cc(CN2C(=O)c3ccccc3C2=O)c1OC ZINC000003345149 462617667 /nfs/dbraw/zinc/61/76/67/462617667.db2.gz ZZUUPXFZZZPAFP-UHFFFAOYSA-N -1 0 341.319 2.198 50 0 EEAARM Cc1nc2cc(C(=O)[O-])ccc2n1CCNC(=O)NC1CCCC1 ZINC000045796146 462619245 /nfs/dbraw/zinc/61/92/45/462619245.db2.gz MOSMEOOEEUBKOJ-UHFFFAOYSA-N -1 0 330.388 2.285 50 0 EEAARM C[C@]1(C(=O)[O-])Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@@H]21 ZINC000004042111 462626249 /nfs/dbraw/zinc/62/62/49/462626249.db2.gz GKMFAZBTYIJNJF-QQXLSSBLSA-N -1 0 349.389 2.053 50 0 biogenic EEAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])c(C)c2oc1=O ZINC000004063746 462627704 /nfs/dbraw/zinc/62/77/04/462627704.db2.gz XVYICQFCAUYSAL-NWDGAFQWSA-N -1 0 347.367 2.075 50 0 biogenic EEAARM COc1ccccc1C[C@H](C(=O)Nc1ccc(C)cc1)c1nnn[n-]1 ZINC000006556770 462690515 /nfs/dbraw/zinc/69/05/15/462690515.db2.gz RIHRLCLKVBTZDW-HNNXBMFYSA-N -1 0 337.383 2.482 50 0 EEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)cn1C ZINC000006800618 462706036 /nfs/dbraw/zinc/70/60/36/462706036.db2.gz VCHURQOSPVZJFS-UHFFFAOYSA-N -1 0 340.376 2.450 50 0 EEAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1cccnc1 ZINC000006887586 462710196 /nfs/dbraw/zinc/71/01/96/462710196.db2.gz HHSSSLNPIFJYNR-UHFFFAOYSA-N -1 0 337.401 2.014 50 0 EEAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])nsc32)cc1OC ZINC000066091365 462851085 /nfs/dbraw/zinc/85/10/85/462851085.db2.gz UKCRZEWGZNTLQG-QMMMGPOBSA-N -1 0 334.353 2.333 50 0 EEAARM C[C@H](NC(=O)COc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000013413214 462892607 /nfs/dbraw/zinc/89/26/07/462892607.db2.gz WWLCXZOCWZEHCK-NSHDSACASA-N -1 0 343.335 2.370 50 0 EEAARM Cc1c(-c2c(-c3ccccc3)ncn2[C@@H](C(=O)[O-])[C@H](C)O)cnn1C ZINC000091950833 462914569 /nfs/dbraw/zinc/91/45/69/462914569.db2.gz ZRLXQNBCTMFCSQ-BLLLJJGKSA-N -1 0 340.383 2.266 50 0 EEAARM O=C(Nc1cc(=O)nc2[n-]c(C(F)(F)F)nn21)c1ccccc1F ZINC000016956650 462991500 /nfs/dbraw/zinc/99/15/00/462991500.db2.gz ADJTUMCPBMBQQS-UHFFFAOYSA-N -1 0 341.224 2.240 50 0 EEAARM CCOC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=O)NC1=O)CCC2 ZINC000016976886 462992263 /nfs/dbraw/zinc/99/22/63/462992263.db2.gz AVLFQNRVBIPVFQ-UHFFFAOYSA-N -1 0 349.368 2.120 50 0 EEAARM Cc1sc2[n-]c(=S)n(CCCN3CCOCC3)c(=O)c2c1C ZINC000017071147 462994995 /nfs/dbraw/zinc/99/49/95/462994995.db2.gz DIMVKYINSPPPDS-UHFFFAOYSA-N -1 0 339.486 2.460 50 0 EEAARM O=C(Cc1c(=O)[nH]c2ccccc2c1[O-])NCc1ccccc1F ZINC000018068437 463005408 /nfs/dbraw/zinc/00/54/08/463005408.db2.gz KFWSTQQMRALWSX-UHFFFAOYSA-N -1 0 326.327 2.232 50 0 EEAARM C[C@@H](c1nnc(SCC(=O)[O-])n1-c1ccccc1)n1ccnc1 ZINC000067934905 463069591 /nfs/dbraw/zinc/06/95/91/463069591.db2.gz HDKMOTQUECYUJE-NSHDSACASA-N -1 0 329.385 2.250 50 0 EEAARM Cc1nnc(CCC(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)[nH]1 ZINC000095392770 463072533 /nfs/dbraw/zinc/07/25/33/463072533.db2.gz CGDSCCAWBNKMMG-HNNXBMFYSA-N -1 0 342.399 2.150 50 0 EEAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1Cc1cnc(C2CCCCC2)nc1 ZINC000097610103 463359716 /nfs/dbraw/zinc/35/97/16/463359716.db2.gz BIGSTJVFLFFTIV-MRXNPFEDSA-N -1 0 341.415 2.259 50 0 EEAARM COc1ccc(C[C@@H](CNC(=O)OC(C)(C)C)C(=O)[O-])cc1OC ZINC000039959765 463452412 /nfs/dbraw/zinc/45/24/12/463452412.db2.gz UGEBZNZKJMHIFD-LBPRGKRZSA-N -1 0 339.388 2.472 50 0 EEAARM C[C@H](CN(C)C(=O)c1cc(F)cc(C(F)(F)F)c1)c1nnn[n-]1 ZINC000124694341 463453690 /nfs/dbraw/zinc/45/36/90/463453690.db2.gz WGAWZTJRQAQURF-SSDOTTSWSA-N -1 0 331.273 2.233 50 0 EEAARM Cn1ccc2c1cccc2OCC(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000252483881 464961763 /nfs/dbraw/zinc/96/17/63/464961763.db2.gz FKOPYSOCNFYKRJ-UHFFFAOYSA-N -1 0 339.277 2.333 50 0 EEAARM Cc1ccc2[nH]c(CCNC(=O)c3cc(O)cc(C(=O)[O-])c3)nc2c1 ZINC001772701375 1179282626 /nfs/dbraw/zinc/28/26/26/1179282626.db2.gz LSBDNCCTDDFHHH-UHFFFAOYSA-N -1 0 339.351 2.248 50 0 EEAARM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC000263198012 539691934 /nfs/dbraw/zinc/69/19/34/539691934.db2.gz YHVGPDSYMAIOFI-RRQGHBQHSA-N -1 0 331.412 2.272 50 0 EEAARM COc1cc(F)c(S(=O)(=O)N[C@@H](C)c2ccccn2)cc1OC ZINC000027950320 202163245 /nfs/dbraw/zinc/16/32/45/202163245.db2.gz UFUSJLGYAYQDRQ-JTQLQIEISA-N -1 0 340.376 2.277 50 0 EEAARM O=C([O-])[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000037528642 202344855 /nfs/dbraw/zinc/34/48/55/202344855.db2.gz JXNFFYMTEVUTMU-CMPLNLGQSA-N -1 0 347.230 2.127 50 0 EEAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000261735947 201196437 /nfs/dbraw/zinc/19/64/37/201196437.db2.gz SGUNRANGDUXZDM-NWDGAFQWSA-N -1 0 331.372 2.046 50 0 EEAARM COC(=O)C[C@H](c1ccc(F)cc1)c1c(=O)nc2ccccn2c1[O-] ZINC000205974465 241043142 /nfs/dbraw/zinc/04/31/42/241043142.db2.gz PILUFIMZFLYZQS-CYBMUJFWSA-N -1 0 342.326 2.234 50 0 EEAARM Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ccnn3CC(=O)[O-])C2)s1 ZINC000426632878 241320149 /nfs/dbraw/zinc/32/01/49/241320149.db2.gz MHTUFCUBVPRYMM-GFCCVEGCSA-N -1 0 348.428 2.061 50 0 EEAARM CCOc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1Cl ZINC000004511264 201604151 /nfs/dbraw/zinc/60/41/51/201604151.db2.gz JGQBVMIOZMCTNA-UHFFFAOYSA-N -1 0 347.820 2.224 50 0 EEAARM O=C([O-])C[S@@](=O)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000005511520 201653934 /nfs/dbraw/zinc/65/39/34/201653934.db2.gz OWIOYABQRAHVQC-OAQYLSRUSA-N -1 0 343.710 2.131 50 0 EEAARM Cc1noc(C)c1Cn1nc(CNc2cccc(Cl)c2)[nH]c1=O ZINC000071280780 203088326 /nfs/dbraw/zinc/08/83/26/203088326.db2.gz COSLRKAWSKOASX-UHFFFAOYSA-N -1 0 333.779 2.490 50 0 EEAARM Cc1cnn(-c2cc(C(=O)[O-])cc(S(=O)(=O)NC3CCCC3)c2)c1 ZINC000071745269 203105652 /nfs/dbraw/zinc/10/56/52/203105652.db2.gz MRQQQKUQDOAINB-UHFFFAOYSA-N -1 0 349.412 2.100 50 0 EEAARM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)CCc3cc(=O)[n-]o3)nc2c1 ZINC000072454805 203228046 /nfs/dbraw/zinc/22/80/46/203228046.db2.gz ZOBLRZFKDRVNCN-HNNXBMFYSA-N -1 0 340.383 2.449 50 0 EEAARM Cc1c[nH]c(C(=O)N2CCC(C(=O)[O-])(n3ccc(C(C)C)n3)CC2)c1 ZINC000072462634 203228358 /nfs/dbraw/zinc/22/83/58/203228358.db2.gz KBCCRLKDFIIKSC-UHFFFAOYSA-N -1 0 344.415 2.359 50 0 EEAARM COc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2ccccn2)c(C)c1C ZINC000127921148 205122737 /nfs/dbraw/zinc/12/27/37/205122737.db2.gz MVKQCYXXWYSNBP-JXMROGBWSA-N -1 0 346.408 2.225 50 0 EEAARM O=C([O-])CCc1ccc(S(=O)(=O)NCc2ccccc2F)cc1 ZINC000013087961 207285503 /nfs/dbraw/zinc/28/55/03/207285503.db2.gz LSDNHTFZGYIIED-UHFFFAOYSA-N -1 0 337.372 2.321 50 0 EEAARM CC(=O)c1cccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000013195671 207363524 /nfs/dbraw/zinc/36/35/24/207363524.db2.gz SQKSZTMXTWOAAB-MRXNPFEDSA-N -1 0 347.392 2.384 50 0 EEAARM O=C([O-])C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O ZINC000299768723 258082548 /nfs/dbraw/zinc/08/25/48/258082548.db2.gz YXMHQMXQGPMYAT-OAHLLOKOSA-N -1 0 341.285 2.339 50 0 EEAARM O=C([O-])c1sccc1S(=O)(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000012923691 304285894 /nfs/dbraw/zinc/28/58/94/304285894.db2.gz FTMHAOKLZPSKJQ-SSDOTTSWSA-N -1 0 343.348 2.409 50 0 EEAARM CC(C)(C)OC(=O)N1CCN(c2ncc(C(=O)[O-])cc2Cl)CC1 ZINC000029753716 278400531 /nfs/dbraw/zinc/40/05/31/278400531.db2.gz ZJDPGWOBUURKFT-UHFFFAOYSA-N -1 0 341.795 2.490 50 0 EEAARM O=C([O-])c1ccc(N2C(=O)C[C@H](Nc3ccc(F)cc3)C2=O)cc1 ZINC000000062499 462540890 /nfs/dbraw/zinc/54/08/90/462540890.db2.gz PUBWBDBNPCINBN-AWEZNQCLSA-N -1 0 328.299 2.268 50 0 EEAARM O=C([O-])[C@H](NS(=O)(=O)c1ccccc1Cl)c1ccccc1 ZINC000000166162 462545320 /nfs/dbraw/zinc/54/53/20/462545320.db2.gz HKCRZHFHHCWGQP-CYBMUJFWSA-N -1 0 325.773 2.444 50 0 EEAARM CC(C)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000000166236 462545902 /nfs/dbraw/zinc/54/59/02/462545902.db2.gz PGVOZRMIHHGLDI-LLVKDONJSA-N -1 0 339.335 2.483 50 0 EEAARM COc1ccc2c(C)nc([N-]S(=O)(=O)c3ccc(N)cc3)nc2c1 ZINC000000389258 462559483 /nfs/dbraw/zinc/55/94/83/462559483.db2.gz FMMAZUNRIKYJIZ-UHFFFAOYSA-N -1 0 344.396 2.330 50 0 EEAARM CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCCC(=O)[O-])ccc12 ZINC000002148261 462590085 /nfs/dbraw/zinc/59/00/85/462590085.db2.gz FOIUZAWYZFWVFS-LLVKDONJSA-N -1 0 347.367 2.022 50 0 biogenic EEAARM COc1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000003269659 462614957 /nfs/dbraw/zinc/61/49/57/462614957.db2.gz YYIXQIOSHIQMBE-UHFFFAOYSA-N -1 0 331.324 2.420 50 0 EEAARM O=C([O-])CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000003308192 462615621 /nfs/dbraw/zinc/61/56/21/462615621.db2.gz ORDUAXVHGGNNRB-GFCCVEGCSA-N -1 0 337.376 2.440 50 0 EEAARM COc1cccc(/C=C2/SC(=O)N(C)C2=O)c1O[C@@H](C)C(=O)[O-] ZINC000004743045 462637251 /nfs/dbraw/zinc/63/72/51/462637251.db2.gz CHMQIQRUOKAWOI-LBTPYSACSA-N -1 0 337.353 2.213 50 0 EEAARM COc1ccc(CCNC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000006471346 462686672 /nfs/dbraw/zinc/68/66/72/462686672.db2.gz LDYOXHSJVXSSPH-UHFFFAOYSA-N -1 0 348.424 2.039 50 0 EEAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)c1 ZINC000006887562 462710753 /nfs/dbraw/zinc/71/07/53/462710753.db2.gz QVOKYLRUFDSKNJ-UHFFFAOYSA-N -1 0 331.353 2.139 50 0 EEAARM O=C(CSc1ccccc1C(=O)[O-])Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012983536 462879503 /nfs/dbraw/zinc/87/95/03/462879503.db2.gz MKMPQOPEXCAACD-UHFFFAOYSA-N -1 0 343.364 2.285 50 0 EEAARM CCn1nccc1-c1cc(C(=O)[O-])n2nc3nc(C)cc(C)c3c2n1 ZINC000013645786 462898731 /nfs/dbraw/zinc/89/87/31/462898731.db2.gz JZQQXFKTTDXQNF-UHFFFAOYSA-N -1 0 336.355 2.476 50 0 EEAARM CCOc1ccc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)cc1C ZINC000013849692 462904774 /nfs/dbraw/zinc/90/47/74/462904774.db2.gz ZKQUMLWMXXGLHS-UHFFFAOYSA-N -1 0 348.424 2.222 50 0 EEAARM COc1ccccc1[C@@H]1CN(C(=O)c2csc(C)n2)C[C@H]1C(=O)[O-] ZINC000091768708 462905388 /nfs/dbraw/zinc/90/53/88/462905388.db2.gz QEJZAQKRWYDIEE-QWHCGFSZSA-N -1 0 346.408 2.401 50 0 EEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1n[nH]c2ccccc21 ZINC000014372338 462926295 /nfs/dbraw/zinc/92/62/95/462926295.db2.gz ZHOWASRMLWBRSH-UHFFFAOYSA-N -1 0 339.380 2.133 50 0 EEAARM Cc1cccnc1N1CCN([C@@H](C(=O)[O-])c2cccc(O)c2)CC1 ZINC000095359904 463068069 /nfs/dbraw/zinc/06/80/69/463068069.db2.gz ZRVQMJMTSSEAFA-MRXNPFEDSA-N -1 0 327.384 2.044 50 0 EEAARM Cn1cc(CCC(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cn1 ZINC000095362036 463068661 /nfs/dbraw/zinc/06/86/61/463068661.db2.gz PHYKFKZQZJSRLE-QGZVFWFLSA-N -1 0 341.411 2.457 50 0 EEAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCCn3cncn3)C2)cc1 ZINC000095367932 463070234 /nfs/dbraw/zinc/07/02/34/463070234.db2.gz JXEHSGZIAIEYBN-MRXNPFEDSA-N -1 0 342.399 2.163 50 0 EEAARM COC(=O)C[C@H](c1cccs1)c1c([O-])nc2ccccn2c1=O ZINC000096118144 463181035 /nfs/dbraw/zinc/18/10/35/463181035.db2.gz NHWYCLOQPBTSPY-SNVBAGLBSA-N -1 0 330.365 2.157 50 0 EEAARM CCSc1ccc(C(=O)N2CCc3[nH]cnc3[C@H]2C(=O)[O-])s1 ZINC000096160073 463190498 /nfs/dbraw/zinc/19/04/98/463190498.db2.gz YWXDBBUWUZLZFP-LBPRGKRZSA-N -1 0 337.426 2.407 50 0 EEAARM CC(C)CCNC(=O)CSc1nc(O)cc(=O)n1C1CCCC1 ZINC000101830909 463382573 /nfs/dbraw/zinc/38/25/73/463382573.db2.gz RMDJLYSMNDKTLZ-UHFFFAOYSA-N -1 0 339.461 2.318 50 0 EEAARM CCn1cc(-c2cc(=O)n3nc(CCc4ccccc4)[n-]c3n2)cn1 ZINC000102218168 463385529 /nfs/dbraw/zinc/38/55/29/463385529.db2.gz BARVKGRGVBVUEE-UHFFFAOYSA-N -1 0 334.383 2.086 50 0 EEAARM CCOC(=O)c1cn[n-]c1S(=O)(=O)Oc1ccccc1C(C)C ZINC000032895469 463400350 /nfs/dbraw/zinc/40/03/50/463400350.db2.gz VZYKXJLUNUEOLF-UHFFFAOYSA-N -1 0 338.385 2.478 50 0 EEAARM C[C@@H](c1cccnc1)N1CCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000124684340 463453015 /nfs/dbraw/zinc/45/30/15/463453015.db2.gz 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332.429 2.440 50 0 EEAARM C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000000074577 201431430 /nfs/dbraw/zinc/43/14/30/201431430.db2.gz QRVAYYUDAPMGRC-YFKPBYRVSA-N -1 0 331.699 2.110 50 0 EEAARM O=C([O-])CNC(=S)NC(=O)c1sc2ccccc2c1Cl ZINC000002049261 201524401 /nfs/dbraw/zinc/52/44/01/201524401.db2.gz VNTOXSPBOLCBEM-UHFFFAOYSA-N -1 0 328.802 2.244 50 0 EEAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OCCSC)[nH]c2C[C@@H]1C ZINC000004488740 201603051 /nfs/dbraw/zinc/60/30/51/201603051.db2.gz BVJMCVUCSGLWDW-KWQFWETISA-N -1 0 339.413 2.007 50 0 EEAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC000072463716 203230004 /nfs/dbraw/zinc/23/00/04/203230004.db2.gz ILQBAUNYAMWUIS-LBPRGKRZSA-N -1 0 325.311 2.166 50 0 EEAARM CC(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)c3cscn3)CC2)n1 ZINC000072411199 203217364 /nfs/dbraw/zinc/21/73/64/203217364.db2.gz XMASMPJSRXVTBZ-UHFFFAOYSA-N -1 0 348.428 2.179 50 0 EEAARM Cc1cc(C(=O)N2CCCn3nc(CCC(=O)[O-])cc3C2)c(C)o1 ZINC000072421924 203220021 /nfs/dbraw/zinc/22/00/21/203220021.db2.gz CFZMREHTHDYWGB-UHFFFAOYSA-N -1 0 331.372 2.156 50 0 EEAARM O=[P@@]([O-])(O)[C@@H](NCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000012997503 207263994 /nfs/dbraw/zinc/26/39/94/207263994.db2.gz HQMJHZUOFAHJLE-MRXNPFEDSA-N -1 0 335.296 2.424 50 0 EEAARM COc1ccccc1CN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013069092 207283735 /nfs/dbraw/zinc/28/37/35/207283735.db2.gz VOBBDQYAPUGSHX-UHFFFAOYSA-N -1 0 335.381 2.214 50 0 EEAARM CS(=O)(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000013255254 207367373 /nfs/dbraw/zinc/36/73/73/207367373.db2.gz QHWRYZMSWZLBRF-UHFFFAOYSA-N -1 0 325.386 2.064 50 0 EEAARM CCOc1ccc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)cc1OC ZINC000013779210 207528059 /nfs/dbraw/zinc/52/80/59/207528059.db2.gz SUNOIMRGPBGQSN-GHXNOFRVSA-N -1 0 337.353 2.215 50 0 EEAARM CC(=O)N1[C@@H](c2ccc(Br)cc2)SC[C@@H]1C(=O)[O-] ZINC000000226159 278075064 /nfs/dbraw/zinc/07/50/64/278075064.db2.gz RQHDIPZZSXATDR-GHMZBOCLSA-N -1 0 330.203 2.496 50 0 EEAARM COc1cc2c(cc1[C@H]1CC(=O)Nc3[nH]nc(C(=O)[O-])c31)CCC2 ZINC000065387862 295043654 /nfs/dbraw/zinc/04/36/54/295043654.db2.gz PFJALSWKASLMJN-LLVKDONJSA-N -1 0 327.340 2.079 50 0 EEAARM C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004173878 298216566 /nfs/dbraw/zinc/21/65/66/298216566.db2.gz ZUUCKMPPNWUMBR-WDGQWMHTSA-N -1 0 347.370 2.352 50 0 EEAARM Nc1ccnc(N2CCC[C@@](CCc3ccccc3)(C(=O)[O-])C2)n1 ZINC000071388744 303502137 /nfs/dbraw/zinc/50/21/37/303502137.db2.gz XGHVNXGQYXCNHW-SFHVURJKSA-N -1 0 326.400 2.363 50 0 EEAARM COc1ccccc1Oc1ccc2c(c1)C(=O)N(CC(=O)[O-])C2=O ZINC000000203007 462548151 /nfs/dbraw/zinc/54/81/51/462548151.db2.gz VTQBCUYUZXWSSX-UHFFFAOYSA-N -1 0 327.292 2.168 50 0 EEAARM CC(C)Oc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1Br ZINC000000573874 462571382 /nfs/dbraw/zinc/57/13/82/462571382.db2.gz WQXPKUQPVLSKMB-UXBLZVDNSA-N -1 0 325.162 2.417 50 0 EEAARM C[C@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000001576232 462584285 /nfs/dbraw/zinc/58/42/85/462584285.db2.gz OYULCCKKLJPNPU-GTNSWQLSSA-N -1 0 341.363 2.359 50 0 EEAARM CCC[C@@H](NC(=O)COc1ccc2c(CC)cc(=O)oc2c1)C(=O)[O-] ZINC000002151706 462589820 /nfs/dbraw/zinc/58/98/20/462589820.db2.gz UOXVEDMIWSGBBC-CQSZACIVSA-N -1 0 347.367 2.104 50 0 biogenic EEAARM Cc1c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2C)cnn1C ZINC000002792663 462603310 /nfs/dbraw/zinc/60/33/10/462603310.db2.gz MNPBLTSZGXHDNS-UHFFFAOYSA-N -1 0 331.344 2.439 50 0 EEAARM Cc1oc2cc3oc(=O)c(CC(=O)NCC(=O)[O-])c(C)c3cc2c1C ZINC000003863595 462625402 /nfs/dbraw/zinc/62/54/02/462625402.db2.gz XRMYIQQFWVQREU-UHFFFAOYSA-N -1 0 343.335 2.208 50 0 biogenic EEAARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC(C)(C)OC2 ZINC000004436983 462631252 /nfs/dbraw/zinc/63/12/52/462631252.db2.gz RIXLOSYRHPTULS-UHFFFAOYSA-N -1 0 341.385 2.189 50 0 EEAARM Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000005235509 462650904 /nfs/dbraw/zinc/65/09/04/462650904.db2.gz SGONTALMSQZNQG-BZNIZROVSA-N -1 0 347.367 2.094 50 0 EEAARM COc1cccc2c(SC[C@@H](NC(C)=O)C(=O)[O-])cc(C)nc12 ZINC000006719261 462700094 /nfs/dbraw/zinc/70/00/94/462700094.db2.gz UJUTXNGZAHPBGA-GFCCVEGCSA-N -1 0 334.397 2.233 50 0 EEAARM O=C([O-])c1cn(C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)nn1 ZINC000065533614 462790629 /nfs/dbraw/zinc/79/06/29/462790629.db2.gz KQVBQZTYCLPTMA-CQSZACIVSA-N -1 0 344.371 2.025 50 0 EEAARM CCOC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@H]1c1ccccc1 ZINC000012788482 462868379 /nfs/dbraw/zinc/86/83/79/462868379.db2.gz XBQODCWKCYRFIV-INIZCTEOSA-N -1 0 346.383 2.455 50 0 EEAARM Cc1nc(C)c(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccccn3)C2)s1 ZINC000091691388 462899171 /nfs/dbraw/zinc/89/91/71/462899171.db2.gz VIDQPXKKGQFZQY-CHWSQXEVSA-N -1 0 345.424 2.024 50 0 EEAARM Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)c(C)c1 ZINC000014093276 462909853 /nfs/dbraw/zinc/90/98/53/462909853.db2.gz NNIVTDDJWXVOBC-OAHLLOKOSA-N -1 0 347.392 2.344 50 0 EEAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2scnc2C)C1 ZINC000091847674 462910918 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ZINC000009378628 211076836 /nfs/dbraw/zinc/07/68/36/211076836.db2.gz RHNHKNKYPFWHFJ-UHFFFAOYSA-N -1 0 334.397 2.164 50 0 EEAARM Cc1ccnn1CC(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095388796 218320747 /nfs/dbraw/zinc/32/07/47/218320747.db2.gz LAGPVIJKVOJJKM-MRXNPFEDSA-N -1 0 327.384 2.296 50 0 EEAARM Cc1ccc(-c2nc(COC[C@@H]3CCCCO3)n(CC(=O)[O-])n2)o1 ZINC000097463478 219025210 /nfs/dbraw/zinc/02/52/10/219025210.db2.gz GHNTZPUWRVEJRI-LBPRGKRZSA-N -1 0 335.360 2.017 50 0 EEAARM COc1ccc([C@]2(CC(=O)[O-])CC(=O)N(C3CCCC3)C2=O)cc1 ZINC000299782848 258091344 /nfs/dbraw/zinc/09/13/44/258091344.db2.gz MYQYNQSSPVLICO-GOSISDBHSA-N -1 0 331.368 2.109 50 0 EEAARM COc1ccc([C@@H](C(=O)[O-])N2CCc3sccc3C2)c(OC)n1 ZINC000095366999 286353328 /nfs/dbraw/zinc/35/33/28/286353328.db2.gz NIAHSEPEMRTRCG-AWEZNQCLSA-N -1 0 334.397 2.344 50 0 EEAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccc(Br)cc1 ZINC000000226163 278075335 /nfs/dbraw/zinc/07/53/35/278075335.db2.gz RQHDIPZZSXATDR-WDEREUQCSA-N -1 0 330.203 2.496 50 0 EEAARM NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCC2 ZINC000004903753 303338814 /nfs/dbraw/zinc/33/88/14/303338814.db2.gz MRLUYNJGGLXDTR-VHSXEESVSA-N -1 0 348.424 2.331 50 0 EEAARM O=C([O-])COCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000000154806 462544534 /nfs/dbraw/zinc/54/45/34/462544534.db2.gz FQEGGHVKPWIXNR-UHFFFAOYSA-N -1 0 328.296 2.128 50 0 EEAARM Nn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1ccccn1 ZINC000000525875 462568751 /nfs/dbraw/zinc/56/87/51/462568751.db2.gz LREYXTNHEIXEFS-UHFFFAOYSA-N -1 0 327.369 2.044 50 0 EEAARM CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2C1=O ZINC000001165103 462577925 /nfs/dbraw/zinc/57/79/25/462577925.db2.gz WTAPJXUKUNAXCJ-UHFFFAOYSA-N -1 0 338.319 2.253 50 0 EEAARM Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)cc1 ZINC000001432517 462582174 /nfs/dbraw/zinc/58/21/74/462582174.db2.gz JJRMIGUHWKZLMH-OAHLLOKOSA-N -1 0 333.365 2.036 50 0 EEAARM CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001640310 462585546 /nfs/dbraw/zinc/58/55/46/462585546.db2.gz AJDUMMXHVCMISJ-ZDUSSCGKSA-N -1 0 337.372 2.488 50 0 EEAARM Cc1nnc([N-]C(=O)c2coc(NC(=O)c3ccccc3)n2)s1 ZINC000062023003 462606663 /nfs/dbraw/zinc/60/66/63/462606663.db2.gz PACUNBQZGHIUFT-UHFFFAOYSA-N -1 0 329.341 2.339 50 0 EEAARM Cc1nnc([N-]C(=O)c2coc(NC(=O)c3cccs3)n2)s1 ZINC000062023072 462606835 /nfs/dbraw/zinc/60/68/35/462606835.db2.gz CMZPIRJLEVNOTN-UHFFFAOYSA-N -1 0 335.370 2.401 50 0 EEAARM Cc1ccc(C)c(NC(=S)N[N-]S(=O)(=O)c2ccccc2)c1 ZINC000006613444 462692920 /nfs/dbraw/zinc/69/29/20/462692920.db2.gz LQVIVZNKVCUXJI-UHFFFAOYSA-N -1 0 335.454 2.483 50 0 EEAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCC(=O)[O-])c(C)c21 ZINC000006624038 462693398 /nfs/dbraw/zinc/69/33/98/462693398.db2.gz WSXWKNISHNSWCK-UHFFFAOYSA-N -1 0 343.335 2.208 50 0 biogenic EEAARM CN(CC[C@H]1CCCCO1)c1nc(N)nc2ccc(C(=O)[O-])cc21 ZINC000065387821 462762108 /nfs/dbraw/zinc/76/21/08/462762108.db2.gz VPIFVOMJQKHKFE-GFCCVEGCSA-N -1 0 330.388 2.306 50 0 EEAARM O=C([O-])c1ccc(CNC(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000013317274 462889136 /nfs/dbraw/zinc/88/91/36/462889136.db2.gz ZJBPCINZJIUILD-UHFFFAOYSA-N -1 0 327.336 2.476 50 0 EEAARM COC(=O)[C@@H](C)SC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1 ZINC000016890875 462990613 /nfs/dbraw/zinc/99/06/13/462990613.db2.gz BLWGTXKCIPCBCF-ZCFIWIBFSA-N -1 0 334.806 2.105 50 0 EEAARM O=C([O-])c1cccnc1N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077472506 462991455 /nfs/dbraw/zinc/99/14/55/462991455.db2.gz BWXLFMVJPLFLPH-LJQANCHMSA-N -1 0 343.427 2.399 50 0 EEAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000017067691 462993508 /nfs/dbraw/zinc/99/35/08/462993508.db2.gz QOVAMNZVDXZZOC-HOTGVXAUSA-N -1 0 330.384 2.129 50 0 EEAARM COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)cc1-c1nnc(C)o1 ZINC000071285738 463413932 /nfs/dbraw/zinc/41/39/32/463413932.db2.gz BROUBYWPNIEDOY-OLZOCXBDSA-N -1 0 345.355 2.349 50 0 EEAARM Nc1nccc(N2CCC[C@](Cc3ccc(F)cc3F)(C(=O)[O-])C2)n1 ZINC000071751759 463421767 /nfs/dbraw/zinc/42/17/67/463421767.db2.gz DBNZHOAHTWCGSM-QGZVFWFLSA-N -1 0 348.353 2.251 50 0 EEAARM C[C@@H](NC(=O)CCC(=O)[O-])C(=O)c1ccc(Br)cc1 ZINC000058037820 463537823 /nfs/dbraw/zinc/53/78/23/463537823.db2.gz KWGXOYPDYCWYET-MRVPVSSYSA-N -1 0 328.162 2.001 50 0 EEAARM COCc1ccc(C(=O)[N-]S(=O)(=O)c2cccc3cnccc32)o1 ZINC000109414719 463642303 /nfs/dbraw/zinc/64/23/03/463642303.db2.gz NOALQOMZTYLTDA-UHFFFAOYSA-N -1 0 346.364 2.093 50 0 EEAARM O=C(CCC1CCN(C(=O)c2cccc(F)c2[O-])CC1)NC1CC1 ZINC000299769494 465884627 /nfs/dbraw/zinc/88/46/27/465884627.db2.gz PZARBNLUTVTRJH-UHFFFAOYSA-N -1 0 334.391 2.442 50 0 EEAARM Cc1nccn1CCn1c2cc(C(=O)[O-])ccc2n(CC2CC2)c1=O ZINC000055327987 214307178 /nfs/dbraw/zinc/30/71/78/214307178.db2.gz QDGHCKWZZYLMAL-UHFFFAOYSA-N -1 0 340.383 2.116 50 0 EEAARM COc1ccc(OC)c2c1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)n2C ZINC000004000400 210098697 /nfs/dbraw/zinc/09/86/97/210098697.db2.gz LOJYQCCMJZLQBE-AWEZNQCLSA-N -1 0 334.372 2.035 50 0 biogenic EEAARM Cc1ccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)cc1 ZINC000102172886 219188349 /nfs/dbraw/zinc/18/83/49/219188349.db2.gz HFRUWGFAKMJPOW-UHFFFAOYSA-N -1 0 339.420 2.461 50 0 EEAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(/C=C/c2ccccc2)CC1 ZINC000034926363 212999628 /nfs/dbraw/zinc/99/96/28/212999628.db2.gz CXVZKYLYSJWILJ-GUFYHEMZSA-N -1 0 328.412 2.158 50 0 EEAARM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000129443467 223056036 /nfs/dbraw/zinc/05/60/36/223056036.db2.gz CETMILZQXUFCFM-UHFFFAOYSA-N -1 0 330.207 2.292 50 0 EEAARM Cc1nc(C)c(C(=O)N2CCC[C@H](c3ccnn3CC(=O)[O-])C2)s1 ZINC000426632879 241319290 /nfs/dbraw/zinc/31/92/90/241319290.db2.gz MHTUFCUBVPRYMM-LBPRGKRZSA-N -1 0 348.428 2.061 50 0 EEAARM CC[C@@H](CO)N(Cc1cccnc1)C(=O)c1ccccc1C(=O)[O-] ZINC000426496874 241300939 /nfs/dbraw/zinc/30/09/39/241300939.db2.gz JVPDAUVLXWFRCW-AWEZNQCLSA-N -1 0 328.368 2.193 50 0 EEAARM Cc1cn2c(nc(C)c(S(=O)(=O)[N-]c3ccccc3)c2=O)s1 ZINC000020921960 212188761 /nfs/dbraw/zinc/18/87/61/212188761.db2.gz GXDVNPBSKQMDQC-UHFFFAOYSA-N -1 0 335.410 2.174 50 0 EEAARM CCCn1c2ccccc2nc1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000013640716 284130814 /nfs/dbraw/zinc/13/08/14/284130814.db2.gz LKFWODNZCJXXRD-UHFFFAOYSA-N -1 0 327.344 2.130 50 0 EEAARM O=C([O-])c1ccc([C@@H]2CCCN(Cc3nc4ncccn4n3)C2)cc1 ZINC000095389262 218320625 /nfs/dbraw/zinc/32/06/25/218320625.db2.gz AGVQMTQOFKFMCJ-OAHLLOKOSA-N -1 0 337.383 2.202 50 0 EEAARM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000004899623 210316245 /nfs/dbraw/zinc/31/62/45/210316245.db2.gz GPECCBYSVGSBBG-GJZGRUSLSA-N -1 0 348.399 2.013 50 0 EEAARM Cc1nc2sc([C@H](c3cccc(F)c3)N3CCOCC3)c([O-])n2n1 ZINC000023157388 302685618 /nfs/dbraw/zinc/68/56/18/302685618.db2.gz VROTYVZQCVRDAO-ZDUSSCGKSA-N -1 0 348.403 2.366 50 0 EEAARM CCc1ccc(N(CC(=O)[O-])S(=O)(=O)c2c(C)noc2C)cc1 ZINC000002928640 462607695 /nfs/dbraw/zinc/60/76/95/462607695.db2.gz XPGZVTGDRHJIFV-UHFFFAOYSA-N -1 0 338.385 2.134 50 0 EEAARM O=C1CCc2cc([N-]S(=O)(=O)c3cccs3)cc3c2N1CC3 ZINC000005153415 462646488 /nfs/dbraw/zinc/64/64/88/462646488.db2.gz VLSAYVRGJZYWEZ-UHFFFAOYSA-N -1 0 334.422 2.384 50 0 EEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000006214392 462679753 /nfs/dbraw/zinc/67/97/53/462679753.db2.gz DFGHLSCNODTJFA-UHFFFAOYSA-N -1 0 334.353 2.234 50 0 EEAARM COc1ccc(C[C@H](C(=O)Nc2ccc(F)cc2)c2nnn[n-]2)cc1 ZINC000006520721 462688347 /nfs/dbraw/zinc/68/83/47/462688347.db2.gz BMHYYOCNADAPOC-HNNXBMFYSA-N -1 0 341.346 2.312 50 0 EEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000006742098 462702236 /nfs/dbraw/zinc/70/22/36/462702236.db2.gz ISASSHATIUNBHN-SJORKVTESA-N -1 0 346.402 2.137 50 0 EEAARM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc(Cl)s1 ZINC000008195605 462773139 /nfs/dbraw/zinc/77/31/39/462773139.db2.gz FQCHZRJQOXHSNA-UHFFFAOYSA-N -1 0 341.805 2.178 50 0 EEAARM Cc1oc(C)c(S(=O)(=O)N2CCc3ccccc3CC2)c1C(=O)[O-] ZINC000117544715 462807104 /nfs/dbraw/zinc/80/71/04/462807104.db2.gz LWEKAVJGAFJMNL-UHFFFAOYSA-N -1 0 349.408 2.384 50 0 EEAARM CCCCN1C(=O)C(=Cc2ccccc2OCC(=O)[O-])NC1=S ZINC000013302848 462888928 /nfs/dbraw/zinc/88/89/28/462888928.db2.gz ZHZMMCNTSBNCQM-FMIVXFBMSA-N -1 0 334.397 2.008 50 0 EEAARM COc1ccc(CNC(=O)COc2ccc(CC(=O)[O-])cc2)cc1 ZINC000013420804 462892441 /nfs/dbraw/zinc/89/24/41/462892441.db2.gz IAQXPIJODCGNIX-UHFFFAOYSA-N -1 0 329.352 2.018 50 0 EEAARM Cn1cc(C(=O)[O-])c(C(=O)NCc2ccccc2N2CCCCC2)n1 ZINC000020616433 463028539 /nfs/dbraw/zinc/02/85/39/463028539.db2.gz ZCZAMZCTNFMUAR-UHFFFAOYSA-N -1 0 342.399 2.039 50 0 EEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cnc2c(cnn2C(C)C)c1 ZINC000032097987 463364723 /nfs/dbraw/zinc/36/47/23/463364723.db2.gz YLUVYBGCYDXICN-UHFFFAOYSA-N -1 0 335.389 2.418 50 0 EEAARM Cc1cccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)C(C)C)c1 ZINC000101802182 463381249 /nfs/dbraw/zinc/38/12/49/463381249.db2.gz YFYGJCCSZQPVJJ-UHFFFAOYSA-N -1 0 339.399 2.224 50 0 EEAARM O=C(CSc1n[nH]c(=O)[n-]c1=O)c1ccc(Cl)c(Cl)c1 ZINC000071405403 463414426 /nfs/dbraw/zinc/41/44/26/463414426.db2.gz QFGSPRUSBULJEO-UHFFFAOYSA-N -1 0 332.168 2.152 50 0 EEAARM CNc1nc(N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)ncc1F ZINC000072447136 463511658 /nfs/dbraw/zinc/51/16/58/463511658.db2.gz BWYKMVVALVAPPZ-UHFFFAOYSA-N -1 0 346.362 2.160 50 0 EEAARM C[C@H]1C[C@@H]1C(=O)N[C@@H](Cc1sccc1Br)C(=O)[O-] ZINC000585134188 468984835 /nfs/dbraw/zinc/98/48/35/468984835.db2.gz HDFCMIPOXPJNMR-ZKWXMUAHSA-N -1 0 332.219 2.279 50 0 EEAARM Cn1ccnc1[C@H](CC(=O)NCCC(C)(C)C(=O)[O-])C(F)(F)F ZINC000585134742 468986133 /nfs/dbraw/zinc/98/61/33/468986133.db2.gz IOEXYUHYPKSTRG-VIFPVBQESA-N -1 0 335.326 2.073 50 0 EEAARM COc1cccc(N(C)S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000012553864 1205828264 /nfs/dbraw/zinc/82/82/64/1205828264.db2.gz JBWYABVRIXERND-DHZHZOJOSA-N -1 0 348.380 2.013 50 0 EEAARM Cc1cccc([C@H](NC(=O)CCN2CCCCCC2=O)C(=O)[O-])c1 ZINC000952982547 796145851 /nfs/dbraw/zinc/14/58/51/796145851.db2.gz YEPBZLDIBXYOJS-KRWDZBQOSA-N -1 0 332.400 2.030 50 0 EEAARM COc1ccc([C@@H](C(=O)[O-])N2CCN(C(=O)CC(C)C)CC2)cc1 ZINC001529168027 1121350828 /nfs/dbraw/zinc/35/08/28/1121350828.db2.gz VVKLLWPVBIKAKK-KRWDZBQOSA-N -1 0 334.416 2.011 50 0 EEAARM Cc1nn(C)c(C)c1CN(C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)C1CC1 ZINC000097674462 219045939 /nfs/dbraw/zinc/04/59/39/219045939.db2.gz GBFLDDGEFNPXBJ-UHFFFAOYSA-N -1 0 344.415 2.485 50 0 EEAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OCCSC)[nH]c2C[C@H]1C ZINC000004488741 210202353 /nfs/dbraw/zinc/20/23/53/210202353.db2.gz BVJMCVUCSGLWDW-KCJUWKMLSA-N -1 0 339.413 2.007 50 0 EEAARM COc1cc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)ccc1OC(C)C ZINC000101347718 219123639 /nfs/dbraw/zinc/12/36/39/219123639.db2.gz XRJPUKBWRZPIAY-LBPRGKRZSA-N -1 0 330.344 2.057 50 0 EEAARM CC(C)C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000003883190 210084107 /nfs/dbraw/zinc/08/41/07/210084107.db2.gz PGVOZRMIHHGLDI-NSHDSACASA-N -1 0 339.335 2.483 50 0 EEAARM Cn1c(=O)c2ccc(C(=O)NCc3ccsc3)cc2[n-]c1=S ZINC000103192614 219268018 /nfs/dbraw/zinc/26/80/18/219268018.db2.gz VAKRAENKTGGCJK-UHFFFAOYSA-N -1 0 331.422 2.214 50 0 EEAARM O=C(Nc1nccs1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100298285 304019200 /nfs/dbraw/zinc/01/92/00/304019200.db2.gz NTLLMIRIELGOBW-UHFFFAOYSA-N -1 0 327.365 2.362 50 0 EEAARM O=C([O-])CCNC(=O)CCn1ccc2c1cccc2Br ZINC000040309104 213291287 /nfs/dbraw/zinc/29/12/87/213291287.db2.gz QPVDMIAAVJCIOM-UHFFFAOYSA-N -1 0 339.189 2.385 50 0 biogenic EEAARM C[C@H](O)[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000035277865 213017089 /nfs/dbraw/zinc/01/70/89/213017089.db2.gz DDAOPVLYHVGTPJ-APHBMKBZSA-N -1 0 345.420 2.470 50 0 EEAARM Cc1ccoc1C(=O)N1CCC(Oc2cccnc2C)(C(=O)[O-])CC1 ZINC000072421374 216209970 /nfs/dbraw/zinc/20/99/70/216209970.db2.gz QCCPATJHMBEVKU-UHFFFAOYSA-N -1 0 344.367 2.430 50 0 EEAARM CCCCc1nc(Cl)c(CN2CCc3nc[nH]c3[C@@H]2C(=O)[O-])[nH]1 ZINC000072428464 216219199 /nfs/dbraw/zinc/21/91/99/216219199.db2.gz YVGHHLFYDGJVDM-CYBMUJFWSA-N -1 0 337.811 2.313 50 0 EEAARM CCC[C@H](CC(=O)[O-])NC(=O)N1CCC(Oc2ccncc2)CC1 ZINC000426479163 241294312 /nfs/dbraw/zinc/29/43/12/241294312.db2.gz XHBHVXSAUWNBFU-CYBMUJFWSA-N -1 0 335.404 2.278 50 0 EEAARM Cc1nc2[n-]c(NC(=O)[C@@H](C)Oc3ccccc3)nn2c(=O)c1Cl ZINC000021171319 212213821 /nfs/dbraw/zinc/21/38/21/212213821.db2.gz CEKPOGLTXWYRCF-SECBINFHSA-N -1 0 347.762 2.198 50 0 EEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)n[nH]1 ZINC000021096439 212206644 /nfs/dbraw/zinc/20/66/44/212206644.db2.gz IBIVWSYMNFPIAJ-UHFFFAOYSA-N -1 0 347.755 2.180 50 0 EEAARM C[C@H](NC(=O)CCn1ccc2ccc(Br)cc21)C(=O)[O-] ZINC000020736139 212166826 /nfs/dbraw/zinc/16/68/26/212166826.db2.gz VASYARTWIUWZRO-VIFPVBQESA-N -1 0 339.189 2.383 50 0 EEAARM COc1cc(C(=O)N2CCC(CC(=O)[O-])CC2)cc(OC)c1OC ZINC000020228251 212113567 /nfs/dbraw/zinc/11/35/67/212113567.db2.gz MFELEQGPYKOJMK-UHFFFAOYSA-N -1 0 337.372 2.039 50 0 EEAARM O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)N1CCOCC1 ZINC000012322650 211346618 /nfs/dbraw/zinc/34/66/18/211346618.db2.gz TXCAAVPEJIAFRZ-CYBMUJFWSA-N -1 0 339.189 2.388 50 0 EEAARM O=C([O-])[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1c1cccc(F)c1 ZINC000091518784 218016180 /nfs/dbraw/zinc/01/61/80/218016180.db2.gz GSFMFPZJFOLTAJ-JKSUJKDBSA-N -1 0 328.343 2.090 50 0 EEAARM COC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000009421769 211080570 /nfs/dbraw/zinc/08/05/70/211080570.db2.gz CXZSFYOFIWMFEA-UHFFFAOYSA-N -1 0 346.817 2.313 50 0 EEAARM Cn1nccc1CCC(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095381287 218313893 /nfs/dbraw/zinc/31/38/93/218313893.db2.gz KAKSAORCHMUTCU-MRXNPFEDSA-N -1 0 341.411 2.457 50 0 EEAARM Cn1nccc1CCC(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095384486 218316882 /nfs/dbraw/zinc/31/68/82/218316882.db2.gz QOWSDEBJHRRXQE-MRXNPFEDSA-N -1 0 341.411 2.457 50 0 EEAARM COc1cccc([C@@]2(CC(=O)[O-])CC(=O)N(C3CCCC3)C2=O)c1 ZINC000299801887 258105056 /nfs/dbraw/zinc/10/50/56/258105056.db2.gz YTASAMNNMZFEHW-SFHVURJKSA-N -1 0 331.368 2.109 50 0 EEAARM Cc1ccc2c(c1)C(=O)O[C@H](C(=O)Nc1ccccc1C(=O)[O-])C2 ZINC000004248130 301877649 /nfs/dbraw/zinc/87/76/49/301877649.db2.gz ONEQFSVBGZRXER-HNNXBMFYSA-N -1 0 325.320 2.413 50 0 EEAARM CC(=O)Oc1cccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c1 ZINC000000285224 462552701 /nfs/dbraw/zinc/55/27/01/462552701.db2.gz RSVHIDOIFGIWQG-UHFFFAOYSA-N -1 0 325.276 2.111 50 0 EEAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccn1)c2=O ZINC000000425239 462561669 /nfs/dbraw/zinc/56/16/69/462561669.db2.gz BGJLZHQCBWMXSW-UHFFFAOYSA-N -1 0 327.365 2.289 50 0 EEAARM COc1ccccc1N1CCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])CC1 ZINC000001471446 462584038 /nfs/dbraw/zinc/58/40/38/462584038.db2.gz XFCUUOGSMCPLHW-LSDHHAIUSA-N -1 0 344.411 2.011 50 0 EEAARM CCOC(=O)[C@](NC(=O)CC)(Nc1ccccc1OC)C(F)(F)F ZINC000002311357 462591390 /nfs/dbraw/zinc/59/13/90/462591390.db2.gz WZXXNPYPOLXNDD-CQSZACIVSA-N -1 0 348.321 2.455 50 0 EEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccn(Cc2cccc(C)c2)n1 ZINC000002804650 462604423 /nfs/dbraw/zinc/60/44/23/462604423.db2.gz GKQBQGHKCLPWKD-UHFFFAOYSA-N -1 0 345.428 2.381 50 0 EEAARM Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2F)C(=O)[O-])cc1 ZINC000003223654 462612290 /nfs/dbraw/zinc/61/22/90/462612290.db2.gz DNOAUEIGUGXEEK-OAHLLOKOSA-N -1 0 337.372 2.108 50 0 EEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000005140359 462646442 /nfs/dbraw/zinc/64/64/42/462646442.db2.gz JSOUCVOVUJICNR-UONOGXRCSA-N -1 0 334.391 2.365 50 0 EEAARM Cc1cccc(OCC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000012761424 462866740 /nfs/dbraw/zinc/86/67/40/462866740.db2.gz RTJAXGSFDDXOOZ-UHFFFAOYSA-N -1 0 343.408 2.330 50 0 EEAARM COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000013091932 462884472 /nfs/dbraw/zinc/88/44/72/462884472.db2.gz AIFOSAXQZBDRAD-UHFFFAOYSA-N -1 0 341.363 2.455 50 0 EEAARM O=c1nc(NCc2cccnc2)[n-]nc1Cc1ccc(Cl)cc1 ZINC000013548883 462896012 /nfs/dbraw/zinc/89/60/12/462896012.db2.gz WJFPRPPBOMUWAS-UHFFFAOYSA-N -1 0 327.775 2.416 50 0 EEAARM COCc1cccc([C@@H](C(=O)[O-])N2CCN(C3CCCC3)C(=O)C2)c1 ZINC000095499173 463095026 /nfs/dbraw/zinc/09/50/26/463095026.db2.gz NCZYTGYSILGRKG-SFHVURJKSA-N -1 0 346.427 2.046 50 0 EEAARM CCOC(=O)C[C@H](c1nnn[n-]1)c1cccc(Br)c1 ZINC000096341568 463234976 /nfs/dbraw/zinc/23/49/76/463234976.db2.gz HJCJLZLNAYHXSS-JTQLQIEISA-N -1 0 325.166 2.047 50 0 EEAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000123040019 463313066 /nfs/dbraw/zinc/31/30/66/463313066.db2.gz FPXBMPANKQEKIR-XJKSGUPXSA-N -1 0 329.356 2.074 50 0 EEAARM CCCC(=O)N(Cc1nn2c([n-]1)nc(C)cc2=O)c1ccccc1 ZINC000101801970 463381216 /nfs/dbraw/zinc/38/12/16/463381216.db2.gz IZGFLGDUEQMHHT-UHFFFAOYSA-N -1 0 325.372 2.059 50 0 EEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccccc2F)CC1 ZINC000032611415 463382977 /nfs/dbraw/zinc/38/29/77/463382977.db2.gz LPRSYGBTTXMSLM-JKSUJKDBSA-N -1 0 348.418 2.361 50 0 EEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000071286679 463413951 /nfs/dbraw/zinc/41/39/51/463413951.db2.gz SJPJZEHNDHBJOB-NEPJUHHUSA-N -1 0 334.763 2.216 50 0 EEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(F)cc4)c=3c2=O)cc1 ZINC000033274045 463419223 /nfs/dbraw/zinc/41/92/23/463419223.db2.gz WSDNPWSMLLCCFH-LSDHHAIUSA-N -1 0 340.314 2.332 50 0 EEAARM O=C([O-])c1cc(-c2nccn2C[C@@H](CO)Cc2ccco2)ccc1O ZINC000082107262 463514473 /nfs/dbraw/zinc/51/44/73/463514473.db2.gz RTPRVAYRVAELET-LBPRGKRZSA-N -1 0 342.351 2.398 50 0 EEAARM C[C@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000112158498 463691635 /nfs/dbraw/zinc/69/16/35/463691635.db2.gz SKDHHIIFUDIQIV-JTQLQIEISA-N -1 0 340.788 2.007 50 0 EEAARM NC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3ccno3)cs2)cc1 ZINC000044903083 463700581 /nfs/dbraw/zinc/70/05/81/463700581.db2.gz MAYJUYNRMTZLAN-UHFFFAOYSA-N -1 0 349.393 2.303 50 0 EEAARM O=C([O-])c1ccc(C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](O)CC3)C2)cc1 ZINC000244873208 464465763 /nfs/dbraw/zinc/46/57/63/464465763.db2.gz WLTBGQGYHGQSBC-YQQAZPJKSA-N -1 0 331.412 2.327 50 0 EEAARM CCN1C[C@H](CN(C)c2noc(-c3ccccc3)c2C(=O)[O-])CC1=O ZINC001772700542 1179281605 /nfs/dbraw/zinc/28/16/05/1179281605.db2.gz GMTIFQVNYFTXMP-LBPRGKRZSA-N -1 0 343.383 2.344 50 0 EEAARM CC/C=C(\C)C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000104224809 1204616952 /nfs/dbraw/zinc/61/69/52/1204616952.db2.gz RBWMXDIAKKXBBJ-IZZDOVSWSA-N -1 0 337.376 2.173 50 0 EEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4)c=3c2=O)cc1 ZINC000004483508 210199484 /nfs/dbraw/zinc/19/94/84/210199484.db2.gz WXUQQDYNPLCAFD-HZPDHXFCSA-N -1 0 336.351 2.189 50 0 EEAARM O=C(CSc1nncc(=O)[n-]1)Nc1cc(Cl)cc(Cl)c1 ZINC000004317421 210168575 /nfs/dbraw/zinc/16/85/75/210168575.db2.gz SNVQEIBCYMFIDX-UHFFFAOYSA-N -1 0 331.184 2.203 50 0 EEAARM CC1=C[C@H](C)[C@H]2C(=O)N([C@@H](Cc3ccccc3)C(=O)[O-])C(=O)[C@H]2C1 ZINC000000525665 209647241 /nfs/dbraw/zinc/64/72/41/209647241.db2.gz ROFIOFAMWLWFLJ-QCEMKRCNSA-N -1 0 327.380 2.270 50 0 biogenic EEAARM CC1(C)[C@H](C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1C(=O)[O-] ZINC000071281578 215751934 /nfs/dbraw/zinc/75/19/34/215751934.db2.gz FANLCLUHVTVWCY-NWDGAFQWSA-N -1 0 349.774 2.363 50 0 EEAARM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCc1cccs1 ZINC000025047968 212457075 /nfs/dbraw/zinc/45/70/75/212457075.db2.gz OYNXLVLIFSEPDA-UHFFFAOYSA-N -1 0 328.390 2.189 50 0 EEAARM O=S(=O)([N-]Cc1ccc2c(c1)OCCO2)c1c(F)cccc1F ZINC000023864021 212397908 /nfs/dbraw/zinc/39/79/08/212397908.db2.gz AWTKMMYMSAIFRC-UHFFFAOYSA-N -1 0 341.335 2.215 50 0 EEAARM Cc1ccc(O)c(C(=O)N2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)c1 ZINC000426661253 241322501 /nfs/dbraw/zinc/32/25/01/241322501.db2.gz MVTAYKOTYSDNEN-CYBMUJFWSA-N -1 0 343.383 2.002 50 0 EEAARM COc1ccc2c(ccn2CCC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000020733481 212167372 /nfs/dbraw/zinc/16/73/72/212167372.db2.gz SYVNKOCSIGTLFP-UHFFFAOYSA-N -1 0 330.384 2.363 50 0 EEAARM Cn1c2nc(-c3ccccc3F)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000020604780 212152614 /nfs/dbraw/zinc/15/26/14/212152614.db2.gz IRCIIZDGUALNAX-UHFFFAOYSA-N -1 0 331.328 2.122 50 0 EEAARM C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000003300883 296138460 /nfs/dbraw/zinc/13/84/60/296138460.db2.gz TYXGFUPCIGZBDR-RXMQYKEDSA-N -1 0 331.699 2.110 50 0 EEAARM O=C([O-])/C=C/C(=O)Nc1cccc(NC(=O)c2ccccc2O)c1 ZINC000012368020 211357783 /nfs/dbraw/zinc/35/77/83/211357783.db2.gz OCPJHUJTVSPFBE-CMDGGOBGSA-N -1 0 326.308 2.224 50 0 EEAARM O=C([O-])[C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1c1ccc(F)cc1 ZINC000092046422 218110700 /nfs/dbraw/zinc/11/07/00/218110700.db2.gz GNGHKNMJJVDHOQ-DLBZAZTESA-N -1 0 342.370 2.480 50 0 EEAARM COc1cc(-c2cn([C@@H](CCSC)C(=O)[O-])nn2)ccc1F ZINC000095391287 218322552 /nfs/dbraw/zinc/32/25/52/218322552.db2.gz OAAMAEHJIYVECX-LBPRGKRZSA-N -1 0 325.365 2.472 50 0 EEAARM O=C([O-])c1cc(N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)ccn1 ZINC000077428412 304225700 /nfs/dbraw/zinc/22/57/00/304225700.db2.gz JEHXUALCZUFSEF-LJQANCHMSA-N -1 0 343.427 2.399 50 0 EEAARM COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)[O-])cc1 ZINC000005046122 210374321 /nfs/dbraw/zinc/37/43/21/210374321.db2.gz JZZFQQPFRQLAEO-ZSOIEALJSA-N -1 0 341.319 2.279 50 0 EEAARM Cc1ccccc1OC1CCN(C(=O)c2[nH]cnc2C(=O)[O-])CC1 ZINC000299777154 258087359 /nfs/dbraw/zinc/08/73/59/258087359.db2.gz AKPYCZKYRYMGOD-UHFFFAOYSA-N -1 0 329.356 2.100 50 0 EEAARM CC(NN1CCCCCC1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000001294761 277732501 /nfs/dbraw/zinc/73/25/01/277732501.db2.gz STQNZHIHYLXQLL-FYWRMAATSA-N -1 0 342.399 2.128 50 0 EEAARM O=C([O-])Cn1nnc(-c2ccc(OCc3ccccc3F)cc2)n1 ZINC000000117237 462542865 /nfs/dbraw/zinc/54/28/65/462542865.db2.gz RNXXWRYIGFPSSK-UHFFFAOYSA-N -1 0 328.303 2.143 50 0 EEAARM O=C1c2ccccc2S(=O)(=O)[N-]N1Cc1nc2ccccc2s1 ZINC000005965910 462673700 /nfs/dbraw/zinc/67/37/00/462673700.db2.gz KZTVNPWZJZAMDV-UHFFFAOYSA-N -1 0 345.405 2.146 50 0 EEAARM COc1ccc(CC[C@H](C)N2CCn3nc(C(=O)[O-])cc3C2)cc1 ZINC000065371047 462759823 /nfs/dbraw/zinc/75/98/23/462759823.db2.gz XNCBQVIXFKWGQM-ZDUSSCGKSA-N -1 0 329.400 2.427 50 0 EEAARM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000014097286 462910100 /nfs/dbraw/zinc/91/01/00/462910100.db2.gz PUUMSXIIYMBOHU-UHFFFAOYSA-N -1 0 349.364 2.265 50 0 EEAARM COc1c(O)cc(-c2cc(=O)c3c(O)c(OC)c([O-])cc3o2)cc1O ZINC000014437110 462927921 /nfs/dbraw/zinc/92/79/21/462927921.db2.gz KPONYCCDEVQZMR-UHFFFAOYSA-N -1 0 346.291 2.300 50 0 biogenic EEAARM CC[C@@H](C)C1C(=O)N=C(SCC(=O)Nc2nccs2)N=C1[O-] ZINC000016662330 462987170 /nfs/dbraw/zinc/98/71/70/462987170.db2.gz FXFIXYBAUQLVCH-SSDOTTSWSA-N -1 0 340.430 2.176 50 0 EEAARM Cc1cc2cccc(C(=O)N3CCc4[nH]cnc4[C@H]3C(=O)[O-])c2o1 ZINC000096138334 463184781 /nfs/dbraw/zinc/18/47/81/463184781.db2.gz UYVQQOZKMPISEU-AWEZNQCLSA-N -1 0 325.324 2.289 50 0 EEAARM Cc1cc(=O)n2nc(Cc3nc(-c4ccc(Cl)cc4)no3)[n-]c2n1 ZINC000032577690 463382158 /nfs/dbraw/zinc/38/21/58/463382158.db2.gz ITSLNTFXJGUSDE-UHFFFAOYSA-N -1 0 342.746 2.433 50 0 EEAARM COC(=O)COc1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000032824855 463398004 /nfs/dbraw/zinc/39/80/04/463398004.db2.gz LIMDLZOISOBIRA-UHFFFAOYSA-N -1 0 327.383 2.101 50 0 EEAARM C[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000033924718 463425494 /nfs/dbraw/zinc/42/54/94/463425494.db2.gz BROZWXIUDUZVCI-HKLRHMNMSA-N -1 0 344.392 2.108 50 0 EEAARM O=C([O-])c1csc(CCNC(=O)C2=Cc3ccccc3OC=C2)n1 ZINC000221358316 464121754 /nfs/dbraw/zinc/12/17/54/464121754.db2.gz SGTWLQLZTSEUEA-UHFFFAOYSA-N -1 0 342.376 2.490 50 0 EEAARM O=C([O-])c1cc(NC(=O)CN2CCCC[C@H]2CCO)ccc1Cl ZINC000244811357 464463714 /nfs/dbraw/zinc/46/37/14/464463714.db2.gz SBLSJFTXFKHGRU-LBPRGKRZSA-N -1 0 340.807 2.214 50 0 EEAARM COc1ccc(NC(=O)CCCn2cccc2)cc1-c1nn[nH]n1 ZINC000524735807 467640172 /nfs/dbraw/zinc/64/01/72/467640172.db2.gz ZHDFDKILLXJODF-UHFFFAOYSA-N -1 0 326.360 2.096 50 0 EEAARM CCN(Cc1nc(C(C)C)no1)C(=O)c1cc(O)cc(C(=O)[O-])c1 ZINC001506413613 1114600269 /nfs/dbraw/zinc/60/02/69/1114600269.db2.gz JDWGMBLYRXTYJG-UHFFFAOYSA-N -1 0 333.344 2.259 50 0 EEAARM O=C(CSc1nncc(=O)[n-]1)Nc1cc(Cl)ccc1Cl ZINC000004386698 210186319 /nfs/dbraw/zinc/18/63/19/210186319.db2.gz ANXFAYAWLZFWOS-UHFFFAOYSA-N -1 0 331.184 2.203 50 0 EEAARM Cn1c(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2[n-]c1=S ZINC000102171272 219188956 /nfs/dbraw/zinc/18/89/56/219188956.db2.gz KWYTVYRCZXOCNY-UHFFFAOYSA-N -1 0 343.383 2.291 50 0 EEAARM Cc1cccc(C(=O)N2CCc3c(c(C(=O)[O-])nn3CC3CC3)C2)c1 ZINC000067820015 215222280 /nfs/dbraw/zinc/22/22/80/215222280.db2.gz NZGYQMFGRDIZLQ-UHFFFAOYSA-N -1 0 339.395 2.498 50 0 EEAARM CSCC[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000002617585 209872625 /nfs/dbraw/zinc/87/26/25/209872625.db2.gz XVQGDZLXKUFNTM-SNVBAGLBSA-N -1 0 332.219 2.385 50 0 EEAARM COc1ccc(Cc2nnc([N-]C(=O)c3snnc3C)o2)cc1 ZINC000038747185 213223425 /nfs/dbraw/zinc/22/34/25/213223425.db2.gz GKVHMSMBTJOMSZ-UHFFFAOYSA-N -1 0 331.357 2.081 50 0 EEAARM COC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000071285149 215753617 /nfs/dbraw/zinc/75/36/17/215753617.db2.gz CEQKAOFUMGYQHA-GHMZBOCLSA-N -1 0 325.748 2.422 50 0 EEAARM COc1ccc(CNC(=O)Cc2ccccc2C(=O)[O-])cc1OC ZINC000072324731 216151715 /nfs/dbraw/zinc/15/17/15/216151715.db2.gz JIPLBWPLWZGVHO-UHFFFAOYSA-N -1 0 329.352 2.261 50 0 biogenic EEAARM O=c1c2[n-][nH]n(Cc3ccccc3F)c=2c(=O)n1-c1ccc(F)cc1 ZINC000021778510 212249422 /nfs/dbraw/zinc/24/94/22/212249422.db2.gz XJIOQHDMXGGKDG-HUUCEWRRSA-N -1 0 342.305 2.458 50 0 EEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)c[nH]1 ZINC000020213858 212111997 /nfs/dbraw/zinc/11/19/97/212111997.db2.gz USKFPCCRTRGYCP-GFCCVEGCSA-N -1 0 337.173 2.203 50 0 EEAARM CN(C)S(=O)(=O)c1cccc(COc2ccc(C(=O)[O-])cc2)c1 ZINC000013412987 211556095 /nfs/dbraw/zinc/55/60/95/211556095.db2.gz QQRKVZDHQGDVMA-UHFFFAOYSA-N -1 0 335.381 2.214 50 0 EEAARM CCn1cc(C(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)cn1 ZINC000091665881 218044597 /nfs/dbraw/zinc/04/45/97/218044597.db2.gz KWSBIPSXOFZTOK-JKSUJKDBSA-N -1 0 327.384 2.152 50 0 EEAARM CCCn1ccnc1-c1c(-c2ccccc2)ncn1[C@@H](CO)C(=O)[O-] ZINC000091770059 218063642 /nfs/dbraw/zinc/06/36/42/218063642.db2.gz QAFQMQFXOFALCU-AWEZNQCLSA-N -1 0 340.383 2.442 50 0 EEAARM Cn1c(=O)c2ccc(C(=O)NOCc3ccccc3)cc2[n-]c1=S ZINC000010319325 211162525 /nfs/dbraw/zinc/16/25/25/211162525.db2.gz LHJJYCGTDKTPDT-UHFFFAOYSA-N -1 0 341.392 2.458 50 0 EEAARM O=C([O-])c1cccc([C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)c1 ZINC000095354972 218288718 /nfs/dbraw/zinc/28/87/18/218288718.db2.gz CABOMMLXKCBTTK-HNNXBMFYSA-N -1 0 346.408 2.348 50 0 EEAARM C[C@@H](NC(=O)c1ccc2nc(-c3ccccc3)cn2c1)c1nnn[n-]1 ZINC000095387643 218319098 /nfs/dbraw/zinc/31/90/98/218319098.db2.gz ALLRRTKMOPTKDI-LLVKDONJSA-N -1 0 333.355 2.005 50 0 EEAARM O=C([O-])[C@H](c1ccsc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1 ZINC000095385552 218316477 /nfs/dbraw/zinc/31/64/77/218316477.db2.gz LCFJMCQZJVYIHT-INIZCTEOSA-N -1 0 348.399 2.357 50 0 EEAARM COc1ccccc1CCNC(=O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000006730987 210694556 /nfs/dbraw/zinc/69/45/56/210694556.db2.gz QCJXMBWUGIQKNN-GMGZGELVSA-N -1 0 331.412 2.491 50 0 EEAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000006728596 210692778 /nfs/dbraw/zinc/69/27/78/210692778.db2.gz WXFWUMJWNDKQPQ-UQZDFYISSA-N -1 0 331.368 2.169 50 0 EEAARM CCCCC1C(=O)N=C(SCC(=O)N2CCCCCC2)N=C1[O-] ZINC000005095310 210388240 /nfs/dbraw/zinc/38/82/40/210388240.db2.gz RPDSZNZBZWLLEV-UHFFFAOYSA-N -1 0 339.461 2.313 50 0 EEAARM CC(=O)c1[nH]c(C)c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1C ZINC000244858658 278239667 /nfs/dbraw/zinc/23/96/67/278239667.db2.gz VPQMOORAIULNQC-HNNXBMFYSA-N -1 0 340.379 2.486 50 0 EEAARM Cc1cc(C)n2nc(S(=O)(=O)[N-]c3ccccc3Cl)nc2n1 ZINC000000085801 462541803 /nfs/dbraw/zinc/54/18/03/462541803.db2.gz ZXXDRAACEYKFBE-UHFFFAOYSA-N -1 0 337.792 2.195 50 0 EEAARM COc1cc(OC)cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC000000614007 462572142 /nfs/dbraw/zinc/57/21/42/462572142.db2.gz CPKAXEIUUVVFNN-UHFFFAOYSA-N -1 0 331.324 2.420 50 0 EEAARM Cc1n[n-]c(SCC(=O)c2ccc(Br)cc2)nc1=O ZINC000001434537 462582530 /nfs/dbraw/zinc/58/25/30/462582530.db2.gz UMUTWILFJUVXQA-UHFFFAOYSA-N -1 0 340.202 2.211 50 0 EEAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCC(=O)[O-])ccc12 ZINC000002119467 462590620 /nfs/dbraw/zinc/59/06/20/462590620.db2.gz NNEWSXXUTMUZKB-LLVKDONJSA-N -1 0 347.367 2.104 50 0 biogenic EEAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccnn2C(F)F)c1 ZINC000002805020 462603940 /nfs/dbraw/zinc/60/39/40/462603940.db2.gz MNMXACLPUGOPLW-UHFFFAOYSA-N -1 0 345.327 2.030 50 0 EEAARM C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)[O-] ZINC000004081857 462627807 /nfs/dbraw/zinc/62/78/07/462627807.db2.gz MCKJPJYRCPANCC-SMVANRBLSA-N -1 0 346.423 2.081 50 0 biogenic EEAARM Cc1cc([N-]S(=O)(=O)c2cc(C)sc2C)n(-c2ncccn2)n1 ZINC000128601733 462656692 /nfs/dbraw/zinc/65/66/92/462656692.db2.gz FCCDBEHKSSJZKT-UHFFFAOYSA-N -1 0 349.441 2.450 50 0 EEAARM C[C@H](Sc1nc(N2CCOCC2)c2c(c1C#N)CCCC2)C(=O)[O-] ZINC000005721593 462667888 /nfs/dbraw/zinc/66/78/88/462667888.db2.gz WPLAXRSMTORVAI-NSHDSACASA-N -1 0 347.440 2.234 50 0 EEAARM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000013195838 462886677 /nfs/dbraw/zinc/88/66/77/462886677.db2.gz FXTMKMWSSAOZSV-CQSZACIVSA-N -1 0 341.335 2.459 50 0 EEAARM COc1cccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)c1OC ZINC000013442655 462892715 /nfs/dbraw/zinc/89/27/15/462892715.db2.gz XQFIIYWCRARULB-UHFFFAOYSA-N -1 0 329.352 2.375 50 0 EEAARM Cc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[n-]c1=O ZINC000018222554 463009135 /nfs/dbraw/zinc/00/91/35/463009135.db2.gz JUEPEKWFGJWLAD-UHFFFAOYSA-N -1 0 344.318 2.223 50 0 EEAARM CN(Cc1[nH]nc2c1CCCCC2)[C@@H](C(=O)[O-])c1ccc(CO)cc1 ZINC000095506992 463097772 /nfs/dbraw/zinc/09/77/72/463097772.db2.gz LPVNERBZWPJJQU-GOSISDBHSA-N -1 0 343.427 2.429 50 0 EEAARM Cc1ccc(-c2ccc(C(=O)[O-])c(N3CC[C@](C)(O)[C@@H](O)C3)n2)s1 ZINC000096140171 463186515 /nfs/dbraw/zinc/18/65/15/463186515.db2.gz OBAVHTXMDHMGQL-YOEHRIQHSA-N -1 0 348.424 2.139 50 0 EEAARM Cn1cc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1C(N)=O ZINC000028196003 463218150 /nfs/dbraw/zinc/21/81/50/463218150.db2.gz YSGGWWVICGQHKG-UHFFFAOYSA-N -1 0 329.381 2.078 50 0 EEAARM O=C(CSc1nn(-c2ccccc2)c(=O)[n-]1)Nc1cccc(F)c1 ZINC000032871480 463399714 /nfs/dbraw/zinc/39/97/14/463399714.db2.gz HMTOBKJZVSBEST-UHFFFAOYSA-N -1 0 344.371 2.431 50 0 EEAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC000071282833 463412784 /nfs/dbraw/zinc/41/27/84/463412784.db2.gz SCZWQUSDGKNWNL-VXGBXAGGSA-N -1 0 334.763 2.216 50 0 EEAARM Cc1nc(-c2ccccc2)oc1C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000124410459 463419595 /nfs/dbraw/zinc/41/95/95/463419595.db2.gz DVLRJDLCQJXLTN-JTQLQIEISA-N -1 0 326.360 2.039 50 0 EEAARM CCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000033463805 463422290 /nfs/dbraw/zinc/42/22/90/463422290.db2.gz YIEUKRGKXJSWEN-LLVKDONJSA-N -1 0 327.764 2.437 50 0 EEAARM Cc1cc(N)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)n1 ZINC000035587879 463432276 /nfs/dbraw/zinc/43/22/76/463432276.db2.gz AAWBTKHKNZMNMA-UHFFFAOYSA-N -1 0 335.371 2.214 50 0 EEAARM Cc1ccc2oc(N3CCC(C(=O)[O-])(n4cccn4)CC3)nc2c1 ZINC000072432182 463511915 /nfs/dbraw/zinc/51/19/15/463511915.db2.gz ZCPGOLDWUBNGKV-UHFFFAOYSA-N -1 0 326.356 2.413 50 0 EEAARM Cn1cc(Br)cc1C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000125256954 463522394 /nfs/dbraw/zinc/52/23/94/463522394.db2.gz HKBXKQXFWLXCRD-JTQLQIEISA-N -1 0 343.202 2.405 50 0 EEAARM Cc1cccc(C)c1-n1ccnc(N2CCC(C(=O)[O-])CC2)c1=O ZINC000044845965 463695479 /nfs/dbraw/zinc/69/54/79/463695479.db2.gz NDRUERRRMFXGDM-UHFFFAOYSA-N -1 0 327.384 2.150 50 0 EEAARM O=C([O-])c1cc(NC(=O)CN2CCCC[C@@H]2CCO)ccc1Cl ZINC000244811356 464462678 /nfs/dbraw/zinc/46/26/78/464462678.db2.gz SBLSJFTXFKHGRU-GFCCVEGCSA-N -1 0 340.807 2.214 50 0 EEAARM Cc1cc2nc(CN3CCO[C@H](CCCC(C)C)C3)cc(=O)n2[n-]1 ZINC000071749125 1253372589 /nfs/dbraw/zinc/37/25/89/1253372589.db2.gz LYZMMMIGHKICID-MRXNPFEDSA-N -1 0 332.448 2.358 50 0 EEAARM O=C([O-])c1ccc(OCCCN2CCN(CC(F)(F)F)CC2)cc1 ZINC000392168293 1410209289 /nfs/dbraw/zinc/20/92/89/1410209289.db2.gz XUYCQSNPVFUUBF-UHFFFAOYSA-N -1 0 346.349 2.334 50 0 EEAARM COc1ccc(-n2nc(C)nc2-c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000198121082 782791041 /nfs/dbraw/zinc/79/10/41/782791041.db2.gz UOXDNIZRQBPDOS-UHFFFAOYSA-N -1 0 333.351 2.488 50 0 EEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000057280471 214415399 /nfs/dbraw/zinc/41/53/99/214415399.db2.gz NSEZPROIXVPVMF-UHFFFAOYSA-N -1 0 349.412 2.346 50 0 EEAARM Cc1ccnc(SCc2cc(=O)n(-c3nc(C)cc(C)n3)[n-]2)n1 ZINC000004502287 210206042 /nfs/dbraw/zinc/20/60/42/210206042.db2.gz ZISXQWBAHVGUIF-UHFFFAOYSA-N -1 0 328.401 2.077 50 0 EEAARM CCOc1cc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc(Cl)c1O ZINC000101347913 219123580 /nfs/dbraw/zinc/12/35/80/219123580.db2.gz BOSKBJKEOXAFFP-SNVBAGLBSA-N -1 0 336.735 2.019 50 0 EEAARM Cc1nc2sc([C@@H](c3cccs3)N3CCOCC3)c([O-])n2n1 ZINC000004121055 210126630 /nfs/dbraw/zinc/12/66/30/210126630.db2.gz WEZBSDFESOJVAM-LLVKDONJSA-N -1 0 336.442 2.288 50 0 EEAARM Cc1ccnc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)c1 ZINC000102351656 219196658 /nfs/dbraw/zinc/19/66/58/219196658.db2.gz PBEZNHHEDGMCBN-UHFFFAOYSA-N -1 0 326.381 2.178 50 0 EEAARM COC(=O)Cc1c(C)nc2c(-c3ccc(OC)cc3)c(C)[n-]n2c1=O ZINC000102733573 219226188 /nfs/dbraw/zinc/22/61/88/219226188.db2.gz FSZOAVMXKPUPHM-UHFFFAOYSA-N -1 0 341.367 2.443 50 0 EEAARM Cc1n[nH]c(C)c1[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000067788014 215211869 /nfs/dbraw/zinc/21/18/69/215211869.db2.gz FJERIVBPJAQQNH-INIZCTEOSA-N -1 0 347.346 2.071 50 0 EEAARM COc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1Br ZINC000037575723 213159277 /nfs/dbraw/zinc/15/92/77/213159277.db2.gz LXCKZHZGBFRSLX-UHFFFAOYSA-N -1 0 344.190 2.049 50 0 EEAARM O=C([O-])c1sccc1S(=O)(=O)N(Cc1ccco1)C1CC1 ZINC000037498587 213150256 /nfs/dbraw/zinc/15/02/56/213150256.db2.gz FASXMYXBDYGPBD-UHFFFAOYSA-N -1 0 327.383 2.393 50 0 EEAARM COc1ccc(NC(=O)c2nnc(CSCC(=O)[O-])s2)cc1 ZINC000034927202 213001334 /nfs/dbraw/zinc/00/13/34/213001334.db2.gz ITCGFFIITWXKDH-UHFFFAOYSA-N -1 0 339.398 2.117 50 0 EEAARM CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCC(=O)[O-] ZINC000072328146 216152629 /nfs/dbraw/zinc/15/26/29/216152629.db2.gz AQXUEDVUOBOWRX-UHFFFAOYSA-N -1 0 348.428 2.273 50 0 EEAARM Cc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(C)CC2)o1 ZINC000022588343 212309073 /nfs/dbraw/zinc/30/90/73/212309073.db2.gz IVIGAKAVZPOYNJ-CYBMUJFWSA-N -1 0 347.444 2.043 50 0 EEAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)Cc1cc2c(cc1Cl)OCCO2 ZINC000222600983 241532027 /nfs/dbraw/zinc/53/20/27/241532027.db2.gz CDFRPTCUKZGUEQ-GFCCVEGCSA-N -1 0 341.791 2.269 50 0 EEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000012932317 211486566 /nfs/dbraw/zinc/48/65/66/211486566.db2.gz OIOCZXIDOUEFTF-LSDHHAIUSA-N -1 0 328.368 2.184 50 0 EEAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2ccccc2F)C1 ZINC000091745793 218057524 /nfs/dbraw/zinc/05/75/24/218057524.db2.gz WCSLWZFXOCDVOP-GOSISDBHSA-N -1 0 337.391 2.488 50 0 EEAARM CCC[C@@H]1CN(C(=O)COc2ccc(C(C)=O)cc2)C[C@H]1C(=O)[O-] ZINC000091846131 218076191 /nfs/dbraw/zinc/07/61/91/218076191.db2.gz XYCCEWKWOLPBRE-GDBMZVCRSA-N -1 0 333.384 2.227 50 0 EEAARM COCc1noc(CN2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)n1 ZINC000095357956 218291306 /nfs/dbraw/zinc/29/13/06/218291306.db2.gz JUBGUWYZJQSEBC-AWEZNQCLSA-N -1 0 331.372 2.294 50 0 EEAARM CCc1cnc(C)nc1N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 ZINC000095368712 218301828 /nfs/dbraw/zinc/30/18/28/218301828.db2.gz HFBWSIFQBXFDTK-DNVCBOLYSA-N -1 0 339.395 2.415 50 0 EEAARM Cc1cc2c(cc1C)O[C@@H](C(=O)NCc1nc(C(=O)[O-])cs1)C2 ZINC000124207033 222391552 /nfs/dbraw/zinc/39/15/52/222391552.db2.gz SWHZVYYRWZCDCW-CYBMUJFWSA-N -1 0 332.381 2.078 50 0 EEAARM CC(C)N1CC2(CCC1=O)CCN(c1cccc(C(=O)[O-])n1)CC2 ZINC000095366021 279478278 /nfs/dbraw/zinc/47/82/78/279478278.db2.gz QSABGWBMCBLYDC-UHFFFAOYSA-N -1 0 331.416 2.397 50 0 EEAARM CC1=C[C@@H](C)[C@H]2C(=O)N([C@@H](Cc3ccccc3)C(=O)[O-])C(=O)[C@H]2C1 ZINC000000525667 281690310 /nfs/dbraw/zinc/69/03/10/281690310.db2.gz ROFIOFAMWLWFLJ-SYAUCNOPSA-N -1 0 327.380 2.270 50 0 biogenic EEAARM CCc1cccc(NC(=O)Cc2csc([N-]S(C)(=O)=O)n2)c1 ZINC000024833307 441321904 /nfs/dbraw/zinc/32/19/04/441321904.db2.gz MVLBUUURWPDSRF-UHFFFAOYSA-N -1 0 339.442 2.258 50 0 EEAARM O=C1NC(c2ccccc2)=N[C@]1([N-]c1nccs1)C(F)(F)F ZINC000002504186 462595273 /nfs/dbraw/zinc/59/52/73/462595273.db2.gz FYKDZISDAFZFIL-GFCCVEGCSA-N -1 0 326.303 2.390 50 0 EEAARM CCCC[C@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)[O-] ZINC000001750403 462586156 /nfs/dbraw/zinc/58/61/56/462586156.db2.gz MRQFALPDHDHSRP-AWEZNQCLSA-N -1 0 347.367 2.240 50 0 biogenic EEAARM COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)OC)cc1 ZINC000006348404 462683293 /nfs/dbraw/zinc/68/32/93/462683293.db2.gz QBOJSQBMYJXPEA-UHFFFAOYSA-N -1 0 349.364 2.061 50 0 EEAARM COc1ccc(NC(=O)[C@@H](Cc2cccc(C)c2)c2nnn[n-]2)cc1 ZINC000006556967 462690863 /nfs/dbraw/zinc/69/08/63/462690863.db2.gz CAURSVOYNSIBQT-INIZCTEOSA-N -1 0 337.383 2.482 50 0 EEAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000006728592 462700680 /nfs/dbraw/zinc/70/06/80/462700680.db2.gz WXFWUMJWNDKQPQ-INCPQMAJSA-N -1 0 331.368 2.169 50 0 EEAARM CC(C)CCS(=O)(=O)[N-]C(=O)C[C@H]1OCCc2ccccc21 ZINC000115914885 462733605 /nfs/dbraw/zinc/73/36/05/462733605.db2.gz KQCAPZUOMZYQRT-OAHLLOKOSA-N -1 0 325.430 2.183 50 0 EEAARM COc1ccc(C)cc1-n1c(SCC(=O)[O-])nnc1[C@@H](C)OC ZINC000065408945 462766839 /nfs/dbraw/zinc/76/68/39/462766839.db2.gz ULZLEFHUIZEPJL-SNVBAGLBSA-N -1 0 337.401 2.468 50 0 EEAARM CCN(CC)c1ccc(NC(=O)CSc2nnc(C)c(=O)[n-]2)cc1 ZINC000008612179 462790799 /nfs/dbraw/zinc/79/07/99/462790799.db2.gz UYKPJHSZKBPIGJ-UHFFFAOYSA-N -1 0 347.444 2.463 50 0 EEAARM O=C([O-])c1cccnc1CN(Cc1ccccn1)C[C@H]1CCCO1 ZINC000065533341 462791449 /nfs/dbraw/zinc/79/14/49/462791449.db2.gz BCJIDQCVOFLGBA-OAHLLOKOSA-N -1 0 327.384 2.356 50 0 EEAARM COc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000012923613 462875480 /nfs/dbraw/zinc/87/54/80/462875480.db2.gz UJVZTFKTMZMDLD-UHFFFAOYSA-N -1 0 325.317 2.333 50 0 EEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000012932331 462876787 /nfs/dbraw/zinc/87/67/87/462876787.db2.gz OIOCZXIDOUEFTF-HUUCEWRRSA-N -1 0 328.368 2.184 50 0 EEAARM 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463228437 /nfs/dbraw/zinc/22/84/37/463228437.db2.gz OCJXGOIZYLVVRW-CYBMUJFWSA-N -1 0 331.459 2.295 50 0 EEAARM Cc1nc(-c2cccnc2)sc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000031864659 463356643 /nfs/dbraw/zinc/35/66/43/463356643.db2.gz PWVYTZSEQYULAF-LBPRGKRZSA-N -1 0 331.397 2.450 50 0 EEAARM O=C([O-])c1nccnc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000032100978 463364588 /nfs/dbraw/zinc/36/45/88/463364588.db2.gz ZNTSJICPEVCYEA-UHFFFAOYSA-N -1 0 344.758 2.282 50 0 EEAARM CCOC(=O)c1c[n-]n(C2CCN(C(=O)c3ccsc3)CC2)c1=N ZINC000101142431 463376796 /nfs/dbraw/zinc/37/67/96/463376796.db2.gz CGHBCJDNYKWJGG-UHFFFAOYSA-N -1 0 348.428 2.011 50 0 EEAARM Cc1ccc(Cl)cc1NCc1nn2c([n-]1)nc1c(c2=O)CCC1 ZINC000101803468 463381643 /nfs/dbraw/zinc/38/16/43/463381643.db2.gz AEMAIZHPDCOIKN-UHFFFAOYSA-N -1 0 329.791 2.480 50 0 EEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccccc2F)CC1 ZINC000032611418 463383151 /nfs/dbraw/zinc/38/31/51/463383151.db2.gz LPRSYGBTTXMSLM-CVEARBPZSA-N -1 0 348.418 2.361 50 0 EEAARM 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211226996 /nfs/dbraw/zinc/22/69/96/211226996.db2.gz XIEBUCNIRYNNOD-UHFFFAOYSA-N -1 0 343.430 2.480 50 0 EEAARM CSCC[C@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)[O-] ZINC000095364362 218296747 /nfs/dbraw/zinc/29/67/47/218296747.db2.gz OQMAYXOPLLARNG-ZDUSSCGKSA-N -1 0 333.413 2.183 50 0 EEAARM O=C([O-])c1cc(Br)cc(S(=O)(=O)NC2CCCC2)c1 ZINC000004294657 304221133 /nfs/dbraw/zinc/22/11/33/304221133.db2.gz YHTKSUMINRHBQQ-UHFFFAOYSA-N -1 0 348.218 2.368 50 0 EEAARM CCOc1cc(Br)c(/C=C2/NC(=O)[N-]C2=O)cc1OC ZINC000000037495 462540670 /nfs/dbraw/zinc/54/06/70/462540670.db2.gz KZDVMBJWWYQTEZ-RUDMXATFSA-N -1 0 341.161 2.037 50 0 EEAARM O=C([O-])c1cccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)c1 ZINC000000083077 462541226 /nfs/dbraw/zinc/54/12/26/462541226.db2.gz KDMRNPQJYWJSJR-AWEZNQCLSA-N -1 0 325.324 2.146 50 0 EEAARM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(Cl)nc1 ZINC000000347118 462556242 /nfs/dbraw/zinc/55/62/42/462556242.db2.gz XXFZFNJWLCWAEZ-UHFFFAOYSA-N -1 0 326.761 2.307 50 0 EEAARM CC(C)NC(=O)CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000000425099 462561732 /nfs/dbraw/zinc/56/17/32/462561732.db2.gz RKAMKIQRUBSUSV-UHFFFAOYSA-N -1 0 349.412 2.093 50 0 EEAARM CCn1cc(S(=O)(=O)[N-]c2cnn(Cc3cccc(C)c3)c2)cn1 ZINC000002804310 462604687 /nfs/dbraw/zinc/60/46/87/462604687.db2.gz MZPBMPWJIWAXBJ-UHFFFAOYSA-N -1 0 345.428 2.257 50 0 EEAARM CC(C)C[C@H]1COCCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000113991696 462620713 /nfs/dbraw/zinc/62/07/13/462620713.db2.gz UMSJIAJHNYSZBU-LBPRGKRZSA-N -1 0 347.440 2.099 50 0 EEAARM C[C@@H](Sc1nncc(=O)[n-]1)C(=O)Nc1ccccc1C(F)(F)F ZINC000005237827 462651152 /nfs/dbraw/zinc/65/11/52/462651152.db2.gz LHBRBTBDVLANGS-SSDOTTSWSA-N -1 0 344.318 2.303 50 0 EEAARM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)c1 ZINC000006887548 462710810 /nfs/dbraw/zinc/71/08/10/462710810.db2.gz JQSDFNIUUJUDET-UHFFFAOYSA-N -1 0 345.380 2.448 50 0 EEAARM COc1cc2c(cc1OC)CN(Cc1ncccc1C(=O)[O-])CC2 ZINC000065436122 462771389 /nfs/dbraw/zinc/77/13/89/462771389.db2.gz 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463381742 /nfs/dbraw/zinc/38/17/42/463381742.db2.gz MGPBAIWMYJNPEB-UHFFFAOYSA-N -1 0 339.369 2.492 50 0 EEAARM CCc1cccc2c(CC(=O)N(C)C[C@@H](C)c3nnn[n-]3)c[nH]c21 ZINC000124480500 463428632 /nfs/dbraw/zinc/42/86/32/463428632.db2.gz RMJVXBLKPMYTQQ-LLVKDONJSA-N -1 0 326.404 2.048 50 0 EEAARM Cc1ccccc1OC[C@H](O)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000223530178 464143317 /nfs/dbraw/zinc/14/33/17/464143317.db2.gz GKJMLRFFWPEKRO-AWEZNQCLSA-N -1 0 335.400 2.029 50 0 EEAARM CC(C)c1nc(=N[C@H](CO)[C@H](O)c2ccc(Cl)cc2)s[n-]1 ZINC000585132654 468983928 /nfs/dbraw/zinc/98/39/28/468983928.db2.gz JKGQLULRBLREIQ-VXGBXAGGSA-N -1 0 327.837 2.243 50 0 EEAARM C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cnc(Cl)c(C(F)(F)F)c1 ZINC000585135980 468985620 /nfs/dbraw/zinc/98/56/20/468985620.db2.gz KYUSJNDBRWGAIV-IYSWYEEDSA-N -1 0 342.726 2.215 50 0 EEAARM O=C(C[C@@H](Cc1ccccc1)c1ccco1)NCc1n[nH]c(=O)[n-]1 ZINC000670459182 485651599 /nfs/dbraw/zinc/65/15/99/485651599.db2.gz SWBHUHDBLXQWDD-CYBMUJFWSA-N -1 0 326.356 2.136 50 0 EEAARM CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC000219581332 785811057 /nfs/dbraw/zinc/81/10/57/785811057.db2.gz ZYJGPHITAVUNBK-GOSISDBHSA-N -1 0 332.400 2.049 50 0 EEAARM COc1cc(CN2CCO[C@H](C(=O)[O-])C2)ccc1OCC=C(C)C ZINC000824609391 800282476 /nfs/dbraw/zinc/28/24/76/800282476.db2.gz BCNIGZONBHJSRI-KRWDZBQOSA-N -1 0 335.400 2.326 50 0 EEAARM CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000126085704 290609799 /nfs/dbraw/zinc/60/97/99/290609799.db2.gz DVIAHOUMCHYFQA-QWRGUYRKSA-N -1 0 333.413 2.151 50 0 EEAARM C[C@H](Cc1ccccc1)NC(=O)Cc1ccc(S(=O)(=O)[O-])cc1 ZINC000003058820 539326768 /nfs/dbraw/zinc/32/67/68/539326768.db2.gz RQXJHLVDNYBYJO-CYBMUJFWSA-N -1 0 333.409 2.223 50 0 EEAARM CCC(CC)n1nc(C)c2c1NC(=O)C[C@@H]2c1c[nH]nc1C(=O)[O-] ZINC000067840369 282296134 /nfs/dbraw/zinc/29/61/34/282296134.db2.gz VSGLXLKJYXMJGG-SNVBAGLBSA-N -1 0 331.376 2.448 50 0 EEAARM CSCC[C@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)C(=O)[O-] ZINC000004088830 210117830 /nfs/dbraw/zinc/11/78/30/210117830.db2.gz YBMAOYXLKNVQHK-NSHDSACASA-N -1 0 336.369 2.121 50 0 biogenic EEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003863594 210080290 /nfs/dbraw/zinc/08/02/90/210080290.db2.gz MDAVYBMKURVDIW-AWEZNQCLSA-N -1 0 342.351 2.275 50 0 biogenic EEAARM COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c2ccccc12 ZINC000035685708 213045742 /nfs/dbraw/zinc/04/57/42/213045742.db2.gz SOMOOQUOGNQZPJ-CYBMUJFWSA-N -1 0 335.381 2.086 50 0 EEAARM O=C([O-])CCNC(=O)CCn1ccc2cc(Br)ccc21 ZINC000032091226 212787384 /nfs/dbraw/zinc/78/73/84/212787384.db2.gz DXKGOGOXFRFFGL-UHFFFAOYSA-N -1 0 339.189 2.385 50 0 EEAARM COc1ccc2[nH]cc(CCNC(=O)[C@H]3[C@H](C(=O)[O-])C3(C)C)c2c1 ZINC000072326105 216152594 /nfs/dbraw/zinc/15/25/94/216152594.db2.gz VGRXAXNXPMMNEV-HUUCEWRRSA-N -1 0 330.384 2.192 50 0 biogenic EEAARM Cc1csc2c1ncnc2N1CCC(C(=O)[O-])(n2ccnc2)CC1 ZINC000072429602 216221785 /nfs/dbraw/zinc/22/17/85/216221785.db2.gz LZULXJVITGZTEG-UHFFFAOYSA-N -1 0 343.412 2.277 50 0 EEAARM CCN(CCOc1cccc(Cl)c1)C(=O)NC1(C(=O)[O-])CC1 ZINC000426521180 241303774 /nfs/dbraw/zinc/30/37/74/241303774.db2.gz GPHOKDIQAKKAFJ-UHFFFAOYSA-N -1 0 326.780 2.368 50 0 EEAARM Cc1cc(C)n(CC2(CNC(=O)c3ccccc3C(=O)[O-])CC2)n1 ZINC000426525925 241304385 /nfs/dbraw/zinc/30/43/85/241304385.db2.gz LIUSFYNQVDPBIJ-UHFFFAOYSA-N -1 0 327.384 2.408 50 0 EEAARM Cc1cn2c(nc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2=O)s1 ZINC000020921955 212188474 /nfs/dbraw/zinc/18/84/74/212188474.db2.gz DXGDZWJJXBRVRS-UHFFFAOYSA-N -1 0 349.437 2.482 50 0 EEAARM C[C@@H](NC(=O)c1c(C(=O)[O-])cnn1C)C12CC3CC(CC(C3)C1)C2 ZINC000020614996 212156470 /nfs/dbraw/zinc/15/64/70/212156470.db2.gz ALZWPBLBCHBWKV-VALILCMLSA-N -1 0 331.416 2.453 50 0 EEAARM O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)N1CCOCC1 ZINC000012409389 211371364 /nfs/dbraw/zinc/37/13/64/211371364.db2.gz DQNPBKYJINNTLD-ZDUSSCGKSA-N -1 0 339.189 2.388 50 0 EEAARM COC(=O)CC(=Nc1ccccc1C(=O)[O-])C(=O)NC1CCCCC1 ZINC000012324960 211347028 /nfs/dbraw/zinc/34/70/28/211347028.db2.gz 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CC(C)(C)OC(=O)N[C@H](C(=O)[O-])[C@@]12C[C@H]3C[C@@H](C1)C[C@](O)(C3)C2 ZINC000100773788 278441802 /nfs/dbraw/zinc/44/18/02/278441802.db2.gz UKCKDSNFBFHSHC-XTUVOZTNSA-N -1 0 325.405 2.296 50 0 EEAARM CC1(C)Cc2c(sc3ncn4nc(/C=C/C(=O)[O-])nc4c23)CO1 ZINC000002443615 281370022 /nfs/dbraw/zinc/37/00/22/281370022.db2.gz ZUHKPCUZKLWBBU-ONEGZZNKSA-N -1 0 330.369 2.288 50 0 EEAARM Cc1nn(C)cc1[C@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)[O-])cc2N1 ZINC000000039410 462540492 /nfs/dbraw/zinc/54/04/92/462540492.db2.gz GYUJVZMKFLVFAV-SCZZXKLOSA-N -1 0 329.282 2.284 50 0 EEAARM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccnn1C ZINC000000116754 462543037 /nfs/dbraw/zinc/54/30/37/462543037.db2.gz OSWKPPZTBNTTDN-UHFFFAOYSA-N -1 0 330.207 2.292 50 0 EEAARM O=C([O-])CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000000074575 462541434 /nfs/dbraw/zinc/54/14/34/462541434.db2.gz LESWHGIWOFMIHL-UHFFFAOYSA-N -1 0 331.699 2.112 50 0 EEAARM COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)[O-])cc1 ZINC000000178428 462545229 /nfs/dbraw/zinc/54/52/29/462545229.db2.gz IMVXICVKUBRYSU-UHFFFAOYSA-N -1 0 349.408 2.013 50 0 EEAARM Cc1cc(C)n([C@@H](CC(=O)N2CCc3ccccc3C2)C(=O)[O-])n1 ZINC000000315199 462554800 /nfs/dbraw/zinc/55/48/00/462554800.db2.gz HOBXHCOEJMOCTR-INIZCTEOSA-N -1 0 327.384 2.101 50 0 EEAARM CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000002475616 462593429 /nfs/dbraw/zinc/59/34/29/462593429.db2.gz ALNVNZHBLAJGTP-CQSZACIVSA-N -1 0 339.438 2.324 50 0 EEAARM CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000003025601 462609100 /nfs/dbraw/zinc/60/91/00/462609100.db2.gz WOHYEBKGUBUCDM-UHFFFAOYSA-N -1 0 348.380 2.073 50 0 EEAARM CC[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(CCOC)c2=O ZINC000003043433 462610049 /nfs/dbraw/zinc/61/00/49/462610049.db2.gz BLHGGLVGLUAYFA-JTQLQIEISA-N -1 0 335.429 2.234 50 0 EEAARM CNC(=O)c1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000013252352 462888341 /nfs/dbraw/zinc/88/83/41/462888341.db2.gz LUOAVZSIFNYGRT-IBGZPJMESA-N -1 0 340.379 2.417 50 0 EEAARM Cc1ccc(S(C)(=O)=O)cc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000013468197 462894516 /nfs/dbraw/zinc/89/45/16/462894516.db2.gz YWPPDPLOGIIFNA-UHFFFAOYSA-N -1 0 339.413 2.372 50 0 EEAARM COc1ccc(OC)c(/C=C2\SC(=O)N(CCC(=O)[O-])C2=O)c1 ZINC000013776457 462904069 /nfs/dbraw/zinc/90/40/69/462904069.db2.gz XDDSNYFAXJXKIX-WQLSENKSSA-N -1 0 337.353 2.215 50 0 EEAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000017067231 462993859 /nfs/dbraw/zinc/99/38/59/462993859.db2.gz KFWCICMZTLYSQM-GJZGRUSLSA-N -1 0 328.372 2.156 50 0 EEAARM Cc1nccn1CCCNc1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000077538966 463001926 /nfs/dbraw/zinc/00/19/26/463001926.db2.gz WNOIHPCDMLGSOP-UHFFFAOYSA-N -1 0 338.371 2.244 50 0 EEAARM COc1ccc(CCNC(=O)c2c([O-])c3ccccc3[nH]c2=O)cc1 ZINC000018008702 463004781 /nfs/dbraw/zinc/00/47/81/463004781.db2.gz LZVUHYIFDCWUDX-UHFFFAOYSA-N -1 0 338.363 2.215 50 0 biogenic EEAARM CN1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000095386075 463073439 /nfs/dbraw/zinc/07/34/39/463073439.db2.gz OXDQMFWFUSVSNT-SFHVURJKSA-N -1 0 338.407 2.100 50 0 EEAARM COC(=O)C[C@@H](c1ccc(F)cc1)c1c([O-])nc2ccccn2c1=O ZINC000096117487 463180985 /nfs/dbraw/zinc/18/09/85/463180985.db2.gz IHWHMTGGNWJSCR-ZDUSSCGKSA-N -1 0 342.326 2.234 50 0 EEAARM COCCc1nc(C(C)(C)Oc2cccc(C)c2)n(CC(=O)[O-])n1 ZINC000096151398 463187896 /nfs/dbraw/zinc/18/78/96/463187896.db2.gz UBFIUPOHBYSCRZ-UHFFFAOYSA-N -1 0 333.388 2.174 50 0 EEAARM Nc1ccnc(N2CCC(CCc3ccccc3)(C(=O)[O-])CC2)n1 ZINC000071735472 463419413 /nfs/dbraw/zinc/41/94/13/463419413.db2.gz LKCVMPGLKAENCC-UHFFFAOYSA-N -1 0 326.400 2.363 50 0 EEAARM Cn1ccnc1CN1CCC(Oc2cccc(F)c2)(C(=O)[O-])CC1 ZINC000082167033 463521643 /nfs/dbraw/zinc/52/16/43/463521643.db2.gz JXHLGUZEUFQNAL-UHFFFAOYSA-N -1 0 333.363 2.057 50 0 EEAARM O=C([O-])c1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)cn1 ZINC000237987767 464415917 /nfs/dbraw/zinc/41/59/17/464415917.db2.gz ADBIQFYITUZOEY-UHFFFAOYSA-N -1 0 326.352 2.463 50 0 EEAARM Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2cccc(Cl)c2)nn1 ZINC000129712192 525935318 /nfs/dbraw/zinc/93/53/18/525935318.db2.gz QSIZJVRIJAPZGJ-UHFFFAOYSA-N -1 0 349.803 2.425 50 0 EEAARM CCCc1ncncc1C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000426511776 535549627 /nfs/dbraw/zinc/54/96/27/535549627.db2.gz STAMHFLLKZURMV-LJQANCHMSA-N -1 0 339.395 2.298 50 0 EEAARM Cc1cnc(N2CC[C@](C(=O)[O-])(c3ccccc3)C2)nc1N(C)C ZINC001772702430 1179285330 /nfs/dbraw/zinc/28/53/30/1179285330.db2.gz SMEQFJFSWNGTJV-GOSISDBHSA-N -1 0 326.400 2.084 50 0 EEAARM COCC[C@@]1(CO)CCCN(c2ncc(C(=O)[O-])cc2Cl)C1 ZINC000091877286 793346273 /nfs/dbraw/zinc/34/62/73/793346273.db2.gz ORBKYJORUVHIQS-HNNXBMFYSA-N -1 0 328.796 2.049 50 0 EEAARM O=C(NCc1ccc(F)cc1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621226 219102433 /nfs/dbraw/zinc/10/24/33/219102433.db2.gz IFUKPMCKZKRXAI-UHFFFAOYSA-N -1 0 338.338 2.332 50 0 EEAARM Cn1c(=O)c2ccc(C(=O)NCCc3ccccc3)cc2[n-]c1=S ZINC000102169222 219188354 /nfs/dbraw/zinc/18/83/54/219188354.db2.gz AYWSMBCVWCPWPY-UHFFFAOYSA-N -1 0 339.420 2.195 50 0 EEAARM 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/nfs/dbraw/zinc/22/82/11/216228211.db2.gz DZVQNXAXHRSDPC-UHFFFAOYSA-N -1 0 347.346 2.127 50 0 EEAARM Cc1cnn(C2(C(=O)[O-])CCN(c3nccc4occc43)CC2)c1 ZINC000072480623 216260138 /nfs/dbraw/zinc/26/01/38/216260138.db2.gz NBHWTRDLTMUUQR-UHFFFAOYSA-N -1 0 326.356 2.413 50 0 EEAARM O=C(COc1ccc2c(c1)CCC(=O)N2)[N-]OCc1ccccc1 ZINC000025286305 212470935 /nfs/dbraw/zinc/47/09/35/212470935.db2.gz OCGNJCRWZVPTPJ-UHFFFAOYSA-N -1 0 326.352 2.198 50 0 EEAARM CC(C)CN(Cc1cnn(C)c1)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000426544582 241307270 /nfs/dbraw/zinc/30/72/70/241307270.db2.gz YUCSZPLDBXCXOB-UHFFFAOYSA-N -1 0 334.376 2.079 50 0 EEAARM O=C([O-])[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000015240816 211809451 /nfs/dbraw/zinc/80/94/51/211809451.db2.gz MWIUCZDPKUMCTA-ZDUSSCGKSA-N -1 0 325.773 2.444 50 0 EEAARM O=C([O-])c1cc2n(n1)CCN(Cc1c[nH]nc1C1CCCCC1)C2 ZINC000067869146 304229644 /nfs/dbraw/zinc/22/96/44/304229644.db2.gz NVRGNCVKRVZQCI-UHFFFAOYSA-N -1 0 329.404 2.368 50 0 EEAARM 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C[C@H](NC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C)c1nc(-c2ccccc2)no1 ZINC000229713731 242191764 /nfs/dbraw/zinc/19/17/64/242191764.db2.gz DEKAOFGMVNTHJU-DLOVCJGASA-N -1 0 329.356 2.271 50 0 EEAARM COc1ccc(C)cc1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000013259947 211538655 /nfs/dbraw/zinc/53/86/55/211538655.db2.gz KILFJQLIWFONOS-INIZCTEOSA-N -1 0 327.380 2.358 50 0 EEAARM COc1cccc(CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000013067342 211518599 /nfs/dbraw/zinc/51/85/99/211518599.db2.gz SFLJWFJDJVRCGT-UHFFFAOYSA-N -1 0 339.344 2.011 50 0 EEAARM O=C([O-])[C@@H]1CN(C(=O)NCC2CCCCC2)C[C@H]1c1ccccn1 ZINC000091745204 218057022 /nfs/dbraw/zinc/05/70/22/218057022.db2.gz DXEXASOMZUJVAR-HUUCEWRRSA-N -1 0 331.416 2.472 50 0 EEAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)NCCc2ccccc2)C1 ZINC000092038090 218107751 /nfs/dbraw/zinc/10/77/51/218107751.db2.gz LHKJLLQQLXMYMU-SFHVURJKSA-N -1 0 334.416 2.142 50 0 EEAARM O=C([O-])[C@]12CN(C(=O)C3CCCC3)C[C@H]1COc1ccccc1C2 ZINC000095351975 218286297 /nfs/dbraw/zinc/28/62/97/218286297.db2.gz MKXPJPZVZDUUQO-HNAYVOBHSA-N -1 0 329.396 2.341 50 0 EEAARM O=C([O-])c1cc2cccc(S(=O)(=O)N3CCCCC3)c2cc1O ZINC000000247092 304229664 /nfs/dbraw/zinc/22/96/64/304229664.db2.gz ZAEJKXQYTGUARK-UHFFFAOYSA-N -1 0 335.381 2.418 50 0 EEAARM CC(=O)Oc1cccc(/C(=C/NC(=O)c2ccccc2)C(=O)[O-])c1 ZINC000005066446 210381262 /nfs/dbraw/zinc/38/12/62/210381262.db2.gz QRCQNTYGYFRIFP-WJDWOHSUSA-N -1 0 325.320 2.467 50 0 EEAARM O=C([O-])c1ccc2oc(=O)c(S(=O)(=O)c3ccccc3)cc2c1 ZINC000004316252 304254972 /nfs/dbraw/zinc/25/49/72/304254972.db2.gz YTSBFAKPBQURMK-UHFFFAOYSA-N -1 0 330.317 2.324 50 0 EEAARM O=C([O-])c1cn(Cc2ccco2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000101731044 304274793 /nfs/dbraw/zinc/27/47/93/304274793.db2.gz MEGLOOCHYYUENQ-UHFFFAOYSA-N -1 0 335.319 2.478 50 0 EEAARM CC(C)C(=O)N1CCC(NC(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000118768147 221179056 /nfs/dbraw/zinc/17/90/56/221179056.db2.gz BXCOXKMLSRDBFW-UHFFFAOYSA-N -1 0 347.440 2.493 50 0 EEAARM 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462875461 /nfs/dbraw/zinc/87/54/61/462875461.db2.gz GZESUWAZQXRDNV-UHFFFAOYSA-N -1 0 349.412 2.098 50 0 EEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCCc1ccccc1 ZINC000013669518 462898845 /nfs/dbraw/zinc/89/88/45/462898845.db2.gz UDIQQMCPQISPOJ-UHFFFAOYSA-N -1 0 332.425 2.421 50 0 EEAARM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccn2)ccc1OC ZINC000016651624 462987653 /nfs/dbraw/zinc/98/76/53/462987653.db2.gz ZZCQZGYWLCSWLX-UHFFFAOYSA-N -1 0 349.412 2.031 50 0 EEAARM Cc1cc(S(=O)(=O)[N-]c2ccn(C)n2)ccc1Br ZINC000016978426 462991976 /nfs/dbraw/zinc/99/19/76/462991976.db2.gz LBILSDCBIZLNJH-UHFFFAOYSA-N -1 0 330.207 2.292 50 0 EEAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000018191159 463008759 /nfs/dbraw/zinc/00/87/59/463008759.db2.gz WDECGZLGRHRJLC-JKSUJKDBSA-N -1 0 336.351 2.189 50 0 EEAARM C[C@H](c1ccccc1)n1c(SCC(=O)[O-])nnc1-c1cc[nH]n1 ZINC000067833820 463055118 /nfs/dbraw/zinc/05/51/18/463055118.db2.gz GCCRSQDATNPVGU-SNVBAGLBSA-N -1 0 329.385 2.454 50 0 EEAARM 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O=C([O-])c1ccc(C[C@@H]2CCN(C(=O)CCCn3cccn3)C2)cc1 ZINC000072463315 216245132 /nfs/dbraw/zinc/24/51/32/216245132.db2.gz NOFYPLPTSPUXOX-INIZCTEOSA-N -1 0 341.411 2.453 50 0 EEAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccc(-n2cc(Cl)cn2)cc1 ZINC000020615243 212156364 /nfs/dbraw/zinc/15/63/64/212156364.db2.gz ODNBWKOBDIMNAC-UHFFFAOYSA-N -1 0 345.746 2.210 50 0 EEAARM Cc1ccc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000019942648 212088905 /nfs/dbraw/zinc/08/89/05/212088905.db2.gz NNJFSJIEQPWNBB-OAHLLOKOSA-N -1 0 333.409 2.278 50 0 EEAARM O=C([O-])[C@H]1CS[C@]2(c3ccc(Br)cc3)CCC(=O)N12 ZINC000003887401 304202434 /nfs/dbraw/zinc/20/24/34/304202434.db2.gz JEHQSUMOUVWRPC-MFKMUULPSA-N -1 0 342.214 2.424 50 0 EEAARM CN(Cc1ccsc1)C(=O)c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000091586206 218025655 /nfs/dbraw/zinc/02/56/55/218025655.db2.gz OHCSHBYLMWDYEP-UHFFFAOYSA-N -1 0 329.381 2.077 50 0 EEAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1 ZINC000092078620 218117229 /nfs/dbraw/zinc/11/72/29/218117229.db2.gz 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/nfs/dbraw/zinc/54/55/23/462545523.db2.gz YNOMZLGEMFKAGP-CYBMUJFWSA-N -1 0 339.800 2.314 50 0 EEAARM Cc1cc(S(=O)(=O)N(C)Cc2ccco2)cc(C(=O)[O-])c1F ZINC000127608962 462568077 /nfs/dbraw/zinc/56/80/77/462568077.db2.gz MQHRLRAHMYIRJJ-UHFFFAOYSA-N -1 0 327.333 2.246 50 0 EEAARM CCn1cc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3C)n2)cn1 ZINC000002804327 462604544 /nfs/dbraw/zinc/60/45/44/462604544.db2.gz NAKOBGNIYPOOKS-UHFFFAOYSA-N -1 0 345.428 2.257 50 0 EEAARM COC(=O)c1sc([N-]S(=O)(=O)c2ccc(F)cc2)nc1C ZINC000005924927 462672921 /nfs/dbraw/zinc/67/29/21/462672921.db2.gz RVDFRKZCUGZNHA-UHFFFAOYSA-N -1 0 330.362 2.178 50 0 EEAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cnc(N2CCCC2)nc1 ZINC000075162103 462688942 /nfs/dbraw/zinc/68/89/42/462688942.db2.gz YBQQNDNZVGDBIX-UHFFFAOYSA-N -1 0 348.428 2.195 50 0 EEAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cnn(CC)c2C)c1 ZINC000006699487 462698528 /nfs/dbraw/zinc/69/85/28/462698528.db2.gz BMAVTZFXEJWINY-UHFFFAOYSA-N -1 0 337.401 2.189 50 0 EEAARM COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000006847309 462708433 /nfs/dbraw/zinc/70/84/33/462708433.db2.gz YHWYDHNSTRMAFF-STQMWFEESA-N -1 0 332.356 2.259 50 0 EEAARM CCc1cccc([N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)c1 ZINC000006859790 462708977 /nfs/dbraw/zinc/70/89/77/462708977.db2.gz GRSOIMSYVRKMAJ-UHFFFAOYSA-N -1 0 349.437 2.428 50 0 EEAARM Cc1cccc([N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)c1C ZINC000006859749 462709149 /nfs/dbraw/zinc/70/91/49/462709149.db2.gz GXJYFGLAZMZWFD-UHFFFAOYSA-N -1 0 349.437 2.482 50 0 EEAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000007052144 462720056 /nfs/dbraw/zinc/72/00/56/462720056.db2.gz QIRUFPNFPMQBHK-UHFFFAOYSA-N -1 0 349.364 2.045 50 0 EEAARM C[C@]1(C(=O)Nc2cccc(C(=O)[O-])c2)Cc2ccccc2C(=O)O1 ZINC000008764229 462796311 /nfs/dbraw/zinc/79/63/11/462796311.db2.gz ZOQVIHLVZBVWNR-GOSISDBHSA-N -1 0 325.320 2.495 50 0 biogenic EEAARM CC(C)[C@@H](Nc1nc2ncn(Cc3ccccc3)c2c(=O)[nH]1)C(=O)[O-] ZINC000009042063 462797287 /nfs/dbraw/zinc/79/72/87/462797287.db2.gz VQRPQVRDYIUZOL-GFCCVEGCSA-N -1 0 341.371 2.101 50 0 biogenic EEAARM O=C([O-])c1ccc2c(=O)[nH]c(-c3cnn(-c4ccccc4)c3)nc2c1 ZINC000012810015 462870120 /nfs/dbraw/zinc/87/01/20/462870120.db2.gz HPHJZXJMJORAFD-UHFFFAOYSA-N -1 0 332.319 2.474 50 0 EEAARM C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1ccncc1 ZINC000013072254 462884680 /nfs/dbraw/zinc/88/46/80/462884680.db2.gz BHUQPIVUOAOPOT-VIFPVBQESA-N -1 0 340.788 2.473 50 0 EEAARM CC(=O)N1CCc2cc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])ccc21 ZINC000013468101 462893792 /nfs/dbraw/zinc/89/37/92/462893792.db2.gz QIZLQJHWTKREOM-GJZGRUSLSA-N -1 0 328.368 2.201 50 0 EEAARM CCc1ccc(NC2=N[C@H](CC(=O)NC3CCCCC3)C([O-])=N2)cc1 ZINC000013693067 462901671 /nfs/dbraw/zinc/90/16/71/462901671.db2.gz BVTCPMDVKXEYNW-MRXNPFEDSA-N -1 0 342.443 2.354 50 0 EEAARM CCn1ccnc1-c1c(-c2ccccc2)ncn1[C@@H](CO)C(=O)[O-] ZINC000091973805 462915842 /nfs/dbraw/zinc/91/58/42/462915842.db2.gz OYJKVBDISGYMDL-ZDUSSCGKSA-N -1 0 326.356 2.052 50 0 EEAARM Cc1nc(N(C)C)nc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000096098613 463172364 /nfs/dbraw/zinc/17/23/64/463172364.db2.gz UDSPWFPFOHBJPK-UHFFFAOYSA-N -1 0 342.371 2.238 50 0 EEAARM COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1oc(C)cc(=O)c1O ZINC000096113752 463179891 /nfs/dbraw/zinc/17/98/91/463179891.db2.gz FXDJUSFHASXVLH-GFCCVEGCSA-N -1 0 332.308 2.047 50 0 biogenic EEAARM COC(=O)C[C@@H](c1cccs1)c1c([O-])nc2ccccn2c1=O ZINC000096118143 463180840 /nfs/dbraw/zinc/18/08/40/463180840.db2.gz NHWYCLOQPBTSPY-JTQLQIEISA-N -1 0 330.365 2.157 50 0 EEAARM Cc1cc2cc(C(=O)N3Cc4nc[nH]c4C[C@@H]3C(=O)[O-])ccc2o1 ZINC000096136736 463184977 /nfs/dbraw/zinc/18/49/77/463184977.db2.gz XGMKOIIYXSFYGF-CQSZACIVSA-N -1 0 325.324 2.116 50 0 EEAARM CCOC(=O)CSc1nc2ccccc2nc1SCC(=O)[O-] ZINC000030831865 463313038 /nfs/dbraw/zinc/31/30/38/463313038.db2.gz GGVQCHOGZOBAGH-UHFFFAOYSA-N -1 0 338.410 2.462 50 0 EEAARM C[C@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)CC1 ZINC000103985651 463406482 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UBLKDMIYAHQWKU-UHFFFAOYSA-N -1 0 333.365 2.317 50 0 EEAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(F)cccc1F ZINC000012977826 462879517 /nfs/dbraw/zinc/87/95/17/462879517.db2.gz WFCBKMBWDYBUJP-UHFFFAOYSA-N -1 0 343.307 2.472 50 0 EEAARM COc1cccc(C=C2SC(=S)NC2=O)c1OCC(=O)[O-] ZINC000015016589 462938497 /nfs/dbraw/zinc/93/84/97/462938497.db2.gz WXPSMJWFXALCSG-UITAMQMPSA-N -1 0 325.367 2.488 50 0 EEAARM O=C([O-])CCCC(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2 ZINC000017070713 462994816 /nfs/dbraw/zinc/99/48/16/462994816.db2.gz OIMDPXBKSBROCL-UHFFFAOYSA-N -1 0 336.413 2.322 50 0 EEAARM CC[C@@H](C)NC(=O)Cn1c([O-])nc2c(-c3ccccc3)c[nH]c2c1=O ZINC000033037985 463409340 /nfs/dbraw/zinc/40/93/40/463409340.db2.gz LYWMVSJNEQEXMF-LLVKDONJSA-N -1 0 340.383 2.012 50 0 EEAARM O=C([O-])c1ccccc1CC(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000071285640 463413480 /nfs/dbraw/zinc/41/34/80/463413480.db2.gz NNODRNSJKFENGL-LLVKDONJSA-N -1 0 333.369 2.269 50 0 EEAARM Cc1ccc(-c2nnc(CCC(=O)NC3CC3)c(=O)[n-]2)cc1Cl ZINC000034767812 463428173 /nfs/dbraw/zinc/42/81/73/463428173.db2.gz WQRIEBFFFZLCCI-UHFFFAOYSA-N -1 0 332.791 2.417 50 0 EEAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)c1cccc(-c2ccco2)c1 ZINC000222826787 464134270 /nfs/dbraw/zinc/13/42/70/464134270.db2.gz QVIPHCXZHCRKCA-HNNXBMFYSA-N -1 0 337.335 2.321 50 0 EEAARM Cc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])c1 ZINC000299803934 465888336 /nfs/dbraw/zinc/88/83/36/465888336.db2.gz LONCMBQVEVPIGA-CQSZACIVSA-N -1 0 348.399 2.141 50 0 EEAARM CC(=O)N(c1nc(/C=C/c2cnc(C(=O)[O-])cn2)cs1)C1CC1 ZINC000585136062 468987141 /nfs/dbraw/zinc/98/71/41/468987141.db2.gz OIYOLYXXHDEELP-NSCUHMNNSA-N -1 0 330.369 2.317 50 0 EEAARM Cc1cc(F)ccc1OC1(C(=O)[O-])CCN(Cc2c[nH]cn2)CC1 ZINC000082114696 1188878966 /nfs/dbraw/zinc/87/89/66/1188878966.db2.gz VPEXNONAKPIACL-UHFFFAOYSA-N -1 0 333.363 2.355 50 0 EEAARM CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1C ZINC000000473853 1219459385 /nfs/dbraw/zinc/45/93/85/1219459385.db2.gz DGLWPYIKFCNUKP-UHFFFAOYSA-N -1 0 338.319 2.452 50 0 EEAARM CCCc1cnc(C)nc1N1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072476342 1286345829 /nfs/dbraw/zinc/34/58/29/1286345829.db2.gz WJLPJTUETMZXPM-UHFFFAOYSA-N -1 0 343.431 2.362 50 0 EEAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1ccccc1N1CCCC1)C(=O)[O-] ZINC000198183089 782801060 /nfs/dbraw/zinc/80/10/60/782801060.db2.gz MZYIUKXYWQFZNV-MRXNPFEDSA-N -1 0 342.399 2.182 50 0 EEAARM Cc1nn(C)c2nc(C)cc(C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c12 ZINC000952963054 796080335 /nfs/dbraw/zinc/08/03/35/796080335.db2.gz NZIZBJICFYXYFD-JOCQHMNTSA-N -1 0 344.415 2.206 50 0 EEAARM CCCc1nnc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)s1 ZINC000100512671 219101321 /nfs/dbraw/zinc/10/13/21/219101321.db2.gz LQPQWZSBPAPPRK-UHFFFAOYSA-N -1 0 344.396 2.300 50 0 EEAARM CCCOc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1OC ZINC000101347851 219123281 /nfs/dbraw/zinc/12/32/81/219123281.db2.gz CVQKDGSHCSOBSI-GFCCVEGCSA-N -1 0 330.344 2.059 50 0 EEAARM COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(C(=O)[O-])c(O)c1 ZINC000004331316 210173268 /nfs/dbraw/zinc/17/32/68/210173268.db2.gz FGQOCGSPHATYKE-OAHLLOKOSA-N -1 0 345.307 2.389 50 0 EEAARM O=C(Nc1ccccc1)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1 ZINC000067245479 215127484 /nfs/dbraw/zinc/12/74/84/215127484.db2.gz SFJFNUZEFSHGOX-UHFFFAOYSA-N -1 0 342.380 2.463 50 0 EEAARM CCN(C1CC1)S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000037079791 213133322 /nfs/dbraw/zinc/13/33/22/213133322.db2.gz WUMBJMOEYXFJFH-UHFFFAOYSA-N -1 0 348.218 2.320 50 0 EEAARM O=C([O-])C1(Oc2ccc(F)cc2)CCN(C(=O)c2ccc[nH]2)CC1 ZINC000072410753 216202731 /nfs/dbraw/zinc/20/27/31/216202731.db2.gz HFXPUDKPMACHLC-UHFFFAOYSA-N -1 0 332.331 2.292 50 0 EEAARM O=C([N-]C(=O)C(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000081886 209407405 /nfs/dbraw/zinc/40/74/05/209407405.db2.gz QEINCIIKMDVGMQ-UHFFFAOYSA-N -1 0 335.713 2.261 50 0 EEAARM CCOc1ccc(-c2ccnc(NC[C@@H](O)CC)n2)cc1C(=O)[O-] ZINC000072426598 216217638 /nfs/dbraw/zinc/21/76/38/216217638.db2.gz QQJMMEDVONLCPC-LBPRGKRZSA-N -1 0 331.372 2.423 50 0 EEAARM CC1(C)C[C@@](CCNC(=O)Nc2nnn[n-]2)(c2ccccc2)CCO1 ZINC000023505966 212379447 /nfs/dbraw/zinc/37/94/47/212379447.db2.gz FYICEMSUTPCIOP-KRWDZBQOSA-N -1 0 344.419 2.238 50 0 EEAARM CC[C@H](O)c1cc2n(n1)CCCN(c1nc(C)[n-]c(=O)c1Cl)C2 ZINC000219495390 241389698 /nfs/dbraw/zinc/38/96/98/241389698.db2.gz USIRSZWQWCUYPJ-LBPRGKRZSA-N -1 0 337.811 2.194 50 0 EEAARM Cn1cc([C@@H](NC(=O)c2ccc([O-])c(Cl)c2)C2CC(O)C2)cn1 ZINC000223687408 241680381 /nfs/dbraw/zinc/68/03/81/241680381.db2.gz YOYLHWVCPDPFIW-QHAMSDLMSA-N -1 0 335.791 2.021 50 0 EEAARM COc1ccc(-c2noc(N3CCC(C(=O)[O-])CC3)n2)cc1OC ZINC000021630532 212235251 /nfs/dbraw/zinc/23/52/51/212235251.db2.gz PCUSQZATWGGAKH-UHFFFAOYSA-N -1 0 333.344 2.055 50 0 EEAARM O=C([O-])[C@@H]1CN(c2ncnc3sccc32)C[C@H]1c1ccccn1 ZINC000091550431 218020150 /nfs/dbraw/zinc/02/01/50/218020150.db2.gz JCGPJKDUCAJAHY-VXGBXAGGSA-N -1 0 326.381 2.391 50 0 EEAARM COc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)ccc1O ZINC000091650431 218040376 /nfs/dbraw/zinc/04/03/76/218040376.db2.gz RPWKRGMFNAIQFB-LSDHHAIUSA-N -1 0 341.363 2.341 50 0 EEAARM CCCc1nc(C)cc(N2C[C@@H](c3ccncc3)[C@H](C(=O)[O-])C2)n1 ZINC000091724841 218054119 /nfs/dbraw/zinc/05/41/19/218054119.db2.gz BMPGFNJHLYPEHN-LSDHHAIUSA-N -1 0 326.400 2.437 50 0 EEAARM CCOc1ncccc1[C@@H](C(=O)[O-])N(C)Cc1nc(C(C)C)no1 ZINC000095352624 218287241 /nfs/dbraw/zinc/28/72/41/218287241.db2.gz SSDWNWAVKUAVIE-ZDUSSCGKSA-N -1 0 334.376 2.244 50 0 EEAARM O=C([O-])c1coc(C[N@@H+]2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)n1 ZINC000095370078 218302237 /nfs/dbraw/zinc/30/22/37/218302237.db2.gz HQZHEFJGVKCWSU-CYBMUJFWSA-N -1 0 330.340 2.451 50 0 EEAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CCN3CCCC3=O)C2)cc1 ZINC000095392269 218324369 /nfs/dbraw/zinc/32/43/69/218324369.db2.gz ZJCXGWLLKVFLGX-INIZCTEOSA-N -1 0 344.411 2.103 50 0 EEAARM NC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])CCC2 ZINC000005725597 210525940 /nfs/dbraw/zinc/52/59/40/210525940.db2.gz UFECHNNGYUEGAX-RKDXNWHRSA-N -1 0 336.413 2.165 50 0 EEAARM O=C([O-])CC1(NC(=O)c2coc(-c3ccccc3)n2)CCOCC1 ZINC000119460711 221325534 /nfs/dbraw/zinc/32/55/34/221325534.db2.gz IVXXUQFKTNGTAE-UHFFFAOYSA-N -1 0 330.340 2.095 50 0 EEAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2cnc3c(C)cccn23)C1 ZINC000299762493 258079499 /nfs/dbraw/zinc/07/94/99/258079499.db2.gz MEUAMLGLDQDSGW-SFHVURJKSA-N -1 0 329.400 2.289 50 0 EEAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1cccc(Br)c1 ZINC000002757218 278075656 /nfs/dbraw/zinc/07/56/56/278075656.db2.gz RFZXUKJICMWRJI-QWRGUYRKSA-N -1 0 330.203 2.496 50 0 EEAARM CN(Cc1cnn(CCC(=O)[O-])c1)Cc1nc2c(s1)CCCC2 ZINC000534650559 468270419 /nfs/dbraw/zinc/27/04/19/468270419.db2.gz HWNLVWDCGMMAAZ-UHFFFAOYSA-N -1 0 334.445 2.325 50 0 EEAARM CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])ccc12 ZINC000000489262 462567162 /nfs/dbraw/zinc/56/71/62/462567162.db2.gz ZBUKKKUAHOBGEK-WDEREUQCSA-N -1 0 347.367 2.020 50 0 biogenic EEAARM O=C(CSc1nc([O-])cc(=O)[nH]1)Nc1cccc(C(F)(F)F)c1 ZINC000000529237 462569036 /nfs/dbraw/zinc/56/90/36/462569036.db2.gz JSVHBTPGZPQLIG-UHFFFAOYSA-N -1 0 345.302 2.225 50 0 EEAARM Cc1c(O)ccc2c(C)c(CCC(=O)NCCCC(=O)[O-])c(=O)oc12 ZINC000002104750 462589048 /nfs/dbraw/zinc/58/90/48/462589048.db2.gz JZRLVDROILCJCH-UHFFFAOYSA-N -1 0 347.367 2.029 50 0 biogenic EEAARM Cc1ccc(N2C(=O)[C@H]3C(C(=O)c4cccs4)=NOC3=C2[O-])cc1 ZINC000003849137 462624639 /nfs/dbraw/zinc/62/46/39/462624639.db2.gz OVUDFYYPCUMLTR-SWLSCSKDSA-N -1 0 340.360 2.184 50 0 EEAARM O=C([O-])C[C@@H]1COCCN1C(=O)CSCc1ccccc1Cl ZINC000063845256 462677297 /nfs/dbraw/zinc/67/72/97/462677297.db2.gz OWXJCKJNOQWTNJ-GFCCVEGCSA-N -1 0 343.832 2.275 50 0 EEAARM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000006471614 462686517 /nfs/dbraw/zinc/68/65/17/462686517.db2.gz YCCYWISNSHKKCC-UHFFFAOYSA-N -1 0 328.752 2.379 50 0 EEAARM Cc1ccc(CN2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])CC2)cc1 ZINC000006698542 462697115 /nfs/dbraw/zinc/69/71/15/462697115.db2.gz SQGAPQPFMBSHEP-QZTJIDSGSA-N -1 0 342.439 2.306 50 0 EEAARM CC(C)(CC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)[O-] ZINC000115605682 462721468 /nfs/dbraw/zinc/72/14/68/462721468.db2.gz YDHQFNKBELZTGU-UHFFFAOYSA-N -1 0 346.305 2.418 50 0 EEAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1nccc(-c2ccccc2)n1 ZINC000130606922 462767869 /nfs/dbraw/zinc/76/78/69/462767869.db2.gz WIYDCBXKDZGYCA-UHFFFAOYSA-N -1 0 343.412 2.295 50 0 EEAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccc(C)o1 ZINC000013089519 462884866 /nfs/dbraw/zinc/88/48/66/462884866.db2.gz ZTSIXLYUBIXXTI-SNVBAGLBSA-N -1 0 339.369 2.334 50 0 EEAARM NC(=O)Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000013849656 462905206 /nfs/dbraw/zinc/90/52/06/462905206.db2.gz FKGUAYLMJRDCSG-UHFFFAOYSA-N -1 0 344.436 2.394 50 0 EEAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccon1 ZINC000016625695 462984562 /nfs/dbraw/zinc/98/45/62/462984562.db2.gz HJGHGFCSIDAWJR-UHFFFAOYSA-N -1 0 333.163 2.247 50 0 EEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000017071898 462994745 /nfs/dbraw/zinc/99/47/45/462994745.db2.gz GGKQUWHCFDPPHZ-MSOLQXFVSA-N -1 0 344.455 2.264 50 0 EEAARM CCc1cccc(NC(=O)N2CCc3nc4cc[n-]n4c(=O)c3C2)c1 ZINC000102990667 463392912 /nfs/dbraw/zinc/39/29/12/463392912.db2.gz NNWRQXNGLAQQIK-UHFFFAOYSA-N -1 0 337.383 2.175 50 0 EEAARM COc1cc(Cl)c(I)cc1NCC(=O)[O-] ZINC000097756591 219054652 /nfs/dbraw/zinc/05/46/52/219054652.db2.gz COPYOBOGAPTLAU-UHFFFAOYSA-N -1 0 341.532 2.450 50 0 EEAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OCCSC)[nH]c2C[C@@H]1C ZINC000004488742 210202603 /nfs/dbraw/zinc/20/26/03/210202603.db2.gz BVJMCVUCSGLWDW-GZMMTYOYSA-N -1 0 339.413 2.007 50 0 EEAARM COc1ccc2[nH]cc([C@@H](C(=O)[O-])[N@@H+]3CCC[C@H](C(=O)[O-])C3)c2c1 ZINC000035102896 213008035 /nfs/dbraw/zinc/00/80/35/213008035.db2.gz ASXQOVJPTHXCIW-BONVTDFDSA-N -1 0 332.356 2.099 50 0 EEAARM Cc1nc(-c2ccccn2)sc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000031864591 212753398 /nfs/dbraw/zinc/75/33/98/212753398.db2.gz DWGFMDJJHOJREG-UHFFFAOYSA-N -1 0 331.397 2.450 50 0 EEAARM CC(=O)c1cc2c(cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])OCO2 ZINC000000372323 209556122 /nfs/dbraw/zinc/55/61/22/209556122.db2.gz SJFFAEVYLTVACK-GHMZBOCLSA-N -1 0 333.340 2.447 50 0 EEAARM O=C([O-])c1nccnc1C(=O)Nc1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000072401429 216194106 /nfs/dbraw/zinc/19/41/06/216194106.db2.gz DQDCPOJJMOXXCP-UHFFFAOYSA-N -1 0 343.730 2.471 50 0 EEAARM CCCc1nc(C(=O)N2CCC(C(=O)[O-])(n3ccnc3)CC2)cs1 ZINC000072476127 216254188 /nfs/dbraw/zinc/25/41/88/216254188.db2.gz AANSUISWCRWFBS-UHFFFAOYSA-N -1 0 348.428 2.008 50 0 EEAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000022052393 212274375 /nfs/dbraw/zinc/27/43/75/212274375.db2.gz XBDKYEKFVDWFAV-UHFFFAOYSA-N -1 0 327.218 2.326 50 0 EEAARM Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])Oc3ccc(C)cc32)cc1 ZINC000226087836 242089032 /nfs/dbraw/zinc/08/90/32/242089032.db2.gz HTHGAGHVAFBSPE-MRXNPFEDSA-N -1 0 347.392 2.344 50 0 EEAARM Cc1nc(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cs1 ZINC000020760945 212169611 /nfs/dbraw/zinc/16/96/11/212169611.db2.gz XWCMERRKCDOBBB-OAHLLOKOSA-N -1 0 343.408 2.287 50 0 biogenic EEAARM COc1cc(-c2cc(C(=O)[O-])c3nc(C)[nH]c3n2)cc(OC)c1O ZINC000011694731 211236889 /nfs/dbraw/zinc/23/68/89/211236889.db2.gz ROPHLOFTQBCIAC-UHFFFAOYSA-N -1 0 329.312 2.354 50 0 EEAARM Cc1ccnn1CCC(=O)N1C[C@@H](c2ccccc2C)[C@H](C(=O)[O-])C1 ZINC000091663356 218041931 /nfs/dbraw/zinc/04/19/31/218041931.db2.gz QVMZTRFRDKZBRM-DLBZAZTESA-N -1 0 341.411 2.217 50 0 EEAARM O=C([O-])[C@@H]1CN(C(=O)NCc2cccs2)C[C@H]1c1cccnc1 ZINC000091664166 218043311 /nfs/dbraw/zinc/04/33/11/218043311.db2.gz BLABDYHQVZOROA-UONOGXRCSA-N -1 0 331.397 2.153 50 0 EEAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)NCCc2ccccc2)C1 ZINC000092038087 218107791 /nfs/dbraw/zinc/10/77/91/218107791.db2.gz LHKJLLQQLXMYMU-GOSISDBHSA-N -1 0 334.416 2.142 50 0 EEAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000006732091 210694113 /nfs/dbraw/zinc/69/41/13/210694113.db2.gz VQLGPORTUMRIIW-IAGOWNOFSA-N -1 0 348.418 2.361 50 0 EEAARM COc1ccc(-c2ccc(C(=O)N3CCOC[C@H]3CC(=O)[O-])o2)cc1 ZINC000072161712 295046617 /nfs/dbraw/zinc/04/66/17/295046617.db2.gz ZDJAVAOLDXMVQK-CYBMUJFWSA-N -1 0 345.351 2.271 50 0 EEAARM C[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013857702 298216575 /nfs/dbraw/zinc/21/65/75/298216575.db2.gz ZUUCKMPPNWUMBR-IOHGKTAZSA-N -1 0 347.370 2.352 50 0 EEAARM [O-]c1c([C@H](c2ccc(F)cc2)N2CCOCC2)sc2ncnn12 ZINC000022609690 304844305 /nfs/dbraw/zinc/84/43/05/304844305.db2.gz WDLPXLOHVXQNHG-LBPRGKRZSA-N -1 0 334.376 2.057 50 0 EEAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)cn2)c1C ZINC000035480223 441603717 /nfs/dbraw/zinc/60/37/17/441603717.db2.gz YXRDNIIKIGTEFV-UHFFFAOYSA-N -1 0 337.401 2.312 50 0 EEAARM CC1=C(C)C[C@H](C(=O)NCc2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 ZINC000000372451 462557054 /nfs/dbraw/zinc/55/70/54/462557054.db2.gz VJGWBNMMVPDGAM-UONOGXRCSA-N -1 0 331.368 2.479 50 0 EEAARM O=C([O-])c1ccc(OCCCN2CCN(C(=O)C3CCC3)CC2)cc1 ZINC000252488560 464965219 /nfs/dbraw/zinc/96/52/19/464965219.db2.gz IUSNEFYDBPONOF-UHFFFAOYSA-N -1 0 346.427 2.098 50 0 EEAARM O=C([O-])c1cccc(-n2cccc2C=C2C(=O)NC(=S)NC2=O)c1 ZINC000001294327 462579190 /nfs/dbraw/zinc/57/91/90/462579190.db2.gz SHUAJKHTCHSDLN-UHFFFAOYSA-N -1 0 341.348 2.341 50 0 EEAARM CCCCc1cc(=O)oc2cc(OCC(=O)NCCC(=O)[O-])ccc12 ZINC000002120971 462590136 /nfs/dbraw/zinc/59/01/36/462590136.db2.gz HLHNJJRMLDECEF-UHFFFAOYSA-N -1 0 347.367 2.105 50 0 biogenic EEAARM CC1=C[C@H](C)[C@H](CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)[C@@H](C)C1 ZINC000004549375 462633902 /nfs/dbraw/zinc/63/39/02/462633902.db2.gz AVEIOIMSQGNDBX-LSYIGHHSSA-N -1 0 331.412 2.091 50 0 EEAARM COc1ccc(CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])cc1OC ZINC000006730671 462701099 /nfs/dbraw/zinc/70/10/99/462701099.db2.gz JUWRUVAEWMSEDT-SMELUJQZSA-N -1 0 347.411 2.457 50 0 EEAARM CCc1nnc(SCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)[nH]1 ZINC000006821692 462707078 /nfs/dbraw/zinc/70/70/78/462707078.db2.gz AJCULLLWARDXLA-UHFFFAOYSA-N -1 0 340.792 2.450 50 0 EEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCc1cccc(F)c1 ZINC000012820897 462870792 /nfs/dbraw/zinc/87/07/92/462870792.db2.gz GYKXNVMSIWHLAX-UHFFFAOYSA-N -1 0 336.388 2.170 50 0 EEAARM O=C([O-])Cc1ccc(N[C@H]2CC(=O)N(c3ccccc3F)C2=O)cc1 ZINC000025539515 463129665 /nfs/dbraw/zinc/12/96/65/463129665.db2.gz IFIPOUGJLREWMC-AWEZNQCLSA-N -1 0 342.326 2.197 50 0 EEAARM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccccc2Cl)C1=O ZINC000029580629 463263592 /nfs/dbraw/zinc/26/35/92/463263592.db2.gz LVWLFYDPYDNXNN-QGZVFWFLSA-N -1 0 343.770 2.452 50 0 EEAARM CC1(C)CC(=O)C(C(=O)Nc2nnc(-c3ccccn3)s2)=C([O-])C1 ZINC000104095697 463409298 /nfs/dbraw/zinc/40/92/98/463409298.db2.gz NYBUTJIHQMOWFA-UHFFFAOYSA-N -1 0 344.396 2.113 50 0 EEAARM CCN(C)C(=O)CCc1nnc(-c2ccc(F)c(Cl)c2)[n-]c1=O ZINC000034768648 463428826 /nfs/dbraw/zinc/42/88/26/463428826.db2.gz HEBRYBYIJNPFOF-UHFFFAOYSA-N -1 0 338.770 2.448 50 0 EEAARM O=C(NCc1noc(C2CC2)n1)c1cc(=O)c2cccc(F)c2[n-]1 ZINC000670451599 485647663 /nfs/dbraw/zinc/64/76/63/485647663.db2.gz SLCFJCFQEFJTEC-UHFFFAOYSA-N -1 0 328.303 2.270 50 0 EEAARM CC[C@@H](C)[C@@H](NC(=O)Cn1cc(C(C)=O)c2ccccc21)C(=O)[O-] ZINC000206212621 1180068552 /nfs/dbraw/zinc/06/85/52/1180068552.db2.gz BSXBUMBYOSDYQO-PIGZYNQJSA-N -1 0 330.384 2.459 50 0 EEAARM O=C([O-])c1ccccc1[C@H]1CCN(C(=O)CCCc2cn[nH]c2)C1 ZINC000072159064 1253448269 /nfs/dbraw/zinc/44/82/69/1253448269.db2.gz QIKIJHNATPKBEK-AWEZNQCLSA-N -1 0 327.384 2.447 50 0 EEAARM Cc1sc2ncnc(N3C[C@@H]4COCC[C@]4(C(=O)[O-])C3)c2c1C ZINC000910479512 786809552 /nfs/dbraw/zinc/80/95/52/786809552.db2.gz LILOVZUDNNBAOD-BZNIZROVSA-N -1 0 333.413 2.236 50 0 EEAARM O=C([O-])c1ccc(O[C@@H]2CCOC[C@H]2Nc2ncc(Cl)cn2)cc1 ZINC000825608420 800344803 /nfs/dbraw/zinc/34/48/03/800344803.db2.gz ZSZMDAVHFDUDQG-ZIAGYGMSSA-N -1 0 349.774 2.477 50 0 EEAARM COc1ccc(CNC(=O)COc2ccc(C(=O)[O-])cc2)cc1OC ZINC000013079875 201884175 /nfs/dbraw/zinc/88/41/75/201884175.db2.gz ZJQQOXPRCWAFTF-UHFFFAOYSA-N -1 0 345.351 2.097 50 0 EEAARM CCCCN1C(=O)[N-]C(=O)C(=C(CC)NCCc2ccccc2)C1=O ZINC000020326393 202038407 /nfs/dbraw/zinc/03/84/07/202038407.db2.gz OEQPGKUBVCHQQM-FOCLMDBBSA-N -1 0 343.427 2.361 50 0 EEAARM CCCc1cc(=O)n2nc(NC(=O)c3cccc(OC)c3)[n-]c2n1 ZINC000021171411 202063419 /nfs/dbraw/zinc/06/34/19/202063419.db2.gz ALTQDGMYVUDUGV-UHFFFAOYSA-N -1 0 327.344 2.043 50 0 EEAARM CCO[N-]C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000022874839 202094003 /nfs/dbraw/zinc/09/40/03/202094003.db2.gz PDOVWCPQNWIQBN-UHFFFAOYSA-N -1 0 335.410 2.254 50 0 EEAARM COc1cc(F)c(S(=O)(=O)N[C@H](C)c2ccccn2)cc1OC ZINC000027950325 202162706 /nfs/dbraw/zinc/16/27/06/202162706.db2.gz UFUSJLGYAYQDRQ-SNVBAGLBSA-N -1 0 340.376 2.277 50 0 EEAARM O=C([O-])c1nc(S(=O)(=O)Cc2ccc(Cl)cc2)ncc1Cl ZINC000032623454 202229427 /nfs/dbraw/zinc/22/94/27/202229427.db2.gz LWWNRBCDJWKGPQ-UHFFFAOYSA-N -1 0 347.179 2.456 50 0 EEAARM COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1c([O-])cc(C)oc1=O ZINC000218104464 241298802 /nfs/dbraw/zinc/29/88/02/241298802.db2.gz YXCCQBJBXWIEOR-GFCCVEGCSA-N -1 0 348.351 2.366 50 0 biogenic EEAARM CC(C)C[C@H](NC(=O)N1CCC(OCc2ccccn2)CC1)C(=O)[O-] ZINC000426544755 241306146 /nfs/dbraw/zinc/30/61/46/241306146.db2.gz LNRDFZZURRGVDU-INIZCTEOSA-N -1 0 349.431 2.272 50 0 EEAARM Cc1n[nH]c(C)c1CCN(C)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000426734555 241333609 /nfs/dbraw/zinc/33/36/09/241333609.db2.gz UNPJAFZIWGATEN-UHFFFAOYSA-N -1 0 336.436 2.388 50 0 EEAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])CC(=O)OCc1ccccc1 ZINC000002386821 201530732 /nfs/dbraw/zinc/53/07/32/201530732.db2.gz FAFJSSKTLCNWRJ-CYBMUJFWSA-N -1 0 337.372 2.488 50 0 EEAARM O=C(N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)c1cc(=O)[n-]o1 ZINC000243915044 243032889 /nfs/dbraw/zinc/03/28/89/243032889.db2.gz BMDCDJTXDAGPNG-BTJLNZGRSA-N -1 0 339.351 2.170 50 0 EEAARM O=C([O-])C1(O)CCN(C(=O)C[C@H](c2ccco2)c2ccccc2)CC1 ZINC000071747495 203106754 /nfs/dbraw/zinc/10/67/54/203106754.db2.gz IAVFXDXITDYXFC-HNNXBMFYSA-N -1 0 343.379 2.240 50 0 EEAARM O=C([O-])c1cc(-c2cn[nH]c2)cc(S(=O)(=O)N2CCCCCC2)c1 ZINC000071755277 203107885 /nfs/dbraw/zinc/10/78/85/203107885.db2.gz UXARDBSZHPIHDP-UHFFFAOYSA-N -1 0 349.412 2.340 50 0 EEAARM O=C([O-])C1(n2cnc3ccccc32)CCN(C(=O)CC2CC2)CC1 ZINC000072454592 203228020 /nfs/dbraw/zinc/22/80/20/203228020.db2.gz QNNFQSDKNKPUKL-UHFFFAOYSA-N -1 0 327.384 2.239 50 0 EEAARM CCc1cc(CN2CCC(Oc3ccc(C)nc3)(C(=O)[O-])CC2)on1 ZINC000072462897 203228422 /nfs/dbraw/zinc/22/84/22/203228422.db2.gz JEYUPTOKSSPYQQ-UHFFFAOYSA-N -1 0 345.399 2.439 50 0 EEAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)c3ccoc3)CC2)cn1 ZINC000072425159 203221429 /nfs/dbraw/zinc/22/14/29/203221429.db2.gz NIPVYBGTMMWZLN-UHFFFAOYSA-N -1 0 330.340 2.121 50 0 EEAARM O=C([O-])[C@H]1CN(C(=O)CCc2ccc(-c3cccs3)o2)CCO1 ZINC000072427081 203221571 /nfs/dbraw/zinc/22/15/71/203221571.db2.gz GLSLZKUILINQKU-CYBMUJFWSA-N -1 0 335.381 2.253 50 0 EEAARM CCC[C@@H]1CN(C(=O)c2scc3c2OCCO3)C[C@H]1C(=O)[O-] ZINC000091587291 203640067 /nfs/dbraw/zinc/64/00/67/203640067.db2.gz QFAAJQDLIZAUBS-NXEZZACHSA-N -1 0 325.386 2.092 50 0 EEAARM COC(=O)Cc1c(C)nc2c(-c3ccccc3OC)c(C)[n-]n2c1=O ZINC000102730985 204047928 /nfs/dbraw/zinc/04/79/28/204047928.db2.gz DFKZLYBGNMQZSU-UHFFFAOYSA-N -1 0 341.367 2.443 50 0 EEAARM CN(CC1CC1)S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000037837702 204360614 /nfs/dbraw/zinc/36/06/14/204360614.db2.gz WFMMBHKLFMCALY-UHFFFAOYSA-N -1 0 348.218 2.178 50 0 EEAARM C[C@H](O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000001576234 299527831 /nfs/dbraw/zinc/52/78/31/299527831.db2.gz OYULCCKKLJPNPU-APPDUMDISA-N -1 0 341.363 2.359 50 0 EEAARM CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013308564 207372533 /nfs/dbraw/zinc/37/25/33/207372533.db2.gz ONUQVTJLLSCCJC-UHFFFAOYSA-N -1 0 329.374 2.406 50 0 EEAARM Cc1c(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cccc1C(=O)[O-] ZINC000000470047 462565856 /nfs/dbraw/zinc/56/58/56/462565856.db2.gz ULUZZIDZCWSEMZ-UHFFFAOYSA-N -1 0 338.319 2.171 50 0 EEAARM COC(=O)c1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000000581098 462571024 /nfs/dbraw/zinc/57/10/24/462571024.db2.gz ZNPUCHJLCHSGTM-UHFFFAOYSA-N -1 0 348.380 2.097 50 0 EEAARM CCn1c([O-])c([C@@H]2OCc3cnc(C)c(O)c32)c(=O)n(CC)c1=S ZINC000003999863 462626349 /nfs/dbraw/zinc/62/63/49/462626349.db2.gz YDXRASFKMYAFMW-CYBMUJFWSA-N -1 0 349.412 2.153 50 0 biogenic EEAARM Cc1ccc2c(c1)C(=O)O[C@@H](C(=O)Nc1ccccc1C(=O)[O-])C2 ZINC000004248131 462630338 /nfs/dbraw/zinc/63/03/38/462630338.db2.gz ONEQFSVBGZRXER-OAHLLOKOSA-N -1 0 325.320 2.413 50 0 EEAARM Cc1ccc2c(c1)C(=O)O[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)C2 ZINC000004248132 462630378 /nfs/dbraw/zinc/63/03/78/462630378.db2.gz HZGDHNXNNRQPSZ-HNNXBMFYSA-N -1 0 325.320 2.413 50 0 EEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)cn1C ZINC000006800498 462705777 /nfs/dbraw/zinc/70/57/77/462705777.db2.gz ZYTSYJANWNAGIE-UHFFFAOYSA-N -1 0 328.777 2.266 50 0 EEAARM CS(=O)(=O)Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000008429617 462783275 /nfs/dbraw/zinc/78/32/75/462783275.db2.gz KJYPWPOGUVFHCL-UHFFFAOYSA-N -1 0 333.365 2.182 50 0 EEAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000008599293 462789292 /nfs/dbraw/zinc/78/92/92/462789292.db2.gz YKGMEFAONIPPRR-UHFFFAOYSA-N -1 0 348.380 2.331 50 0 EEAARM O=c1nc(Nc2ccc3c(c2)OCCO3)[n-]nc1Cc1ccccc1 ZINC000012514335 462854475 /nfs/dbraw/zinc/85/44/75/462854475.db2.gz IXEPHBCNXPNLPS-UHFFFAOYSA-N -1 0 336.351 2.271 50 0 EEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000012544692 462855472 /nfs/dbraw/zinc/85/54/72/462855472.db2.gz RDJXPBBXMPIFTK-UHFFFAOYSA-N -1 0 330.369 2.187 50 0 EEAARM O=C(CSc1nc(=O)c2sccc2[n-]1)NCc1ccccc1 ZINC000051317242 463032360 /nfs/dbraw/zinc/03/23/60/463032360.db2.gz NSBBVBCVHITZNY-UHFFFAOYSA-N -1 0 331.422 2.393 50 0 EEAARM CCn1ncnc1[C@@H](C)Nc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000067755871 463047742 /nfs/dbraw/zinc/04/77/42/463047742.db2.gz WJFXUHBTZFKGLD-MRVPVSSYSA-N -1 0 332.389 2.482 50 0 EEAARM Cc1cc([C@@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)ccc1F ZINC000095374403 463071131 /nfs/dbraw/zinc/07/11/31/463071131.db2.gz KVWOQASMRWSTES-SFHVURJKSA-N -1 0 343.402 2.473 50 0 EEAARM COC(=O)C[C@@H](c1ccsc1)c1c([O-])nc2ccccn2c1=O ZINC000096118001 463181068 /nfs/dbraw/zinc/18/10/68/463181068.db2.gz CSVRUAKPVXKKJO-NSHDSACASA-N -1 0 330.365 2.157 50 0 EEAARM O=C([O-])c1ccc(C(=O)N2CCN(C3CCSCC3)CC2)s1 ZINC000097528931 463360373 /nfs/dbraw/zinc/36/03/73/463360373.db2.gz RHVZHKSPTONCSQ-UHFFFAOYSA-N -1 0 340.470 2.100 50 0 EEAARM CCCn1c2ccccc2c([O-])c(C(=O)NC[C@@H]2CCCO2)c1=O ZINC000100537087 463373959 /nfs/dbraw/zinc/37/39/59/463373959.db2.gz YHCHKHNTFWYFAP-LBPRGKRZSA-N -1 0 330.384 2.026 50 0 EEAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3nc(C(F)(F)F)nn32)cc1 ZINC000102742043 463389872 /nfs/dbraw/zinc/38/98/72/463389872.db2.gz PKPVXNBMBFCMBW-SNVBAGLBSA-N -1 0 340.261 2.289 50 0 EEAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nc(C(F)(F)F)nn32)cc1 ZINC000102742038 463390065 /nfs/dbraw/zinc/39/00/65/463390065.db2.gz PKPVXNBMBFCMBW-JTQLQIEISA-N -1 0 340.261 2.289 50 0 EEAARM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C1 ZINC000102855807 463391765 /nfs/dbraw/zinc/39/17/65/463391765.db2.gz DFPPQSDXQNGAAI-PHIMTYICSA-N -1 0 331.441 2.340 50 0 EEAARM CC(C)(C)CCS(=O)(=O)[N-]C(=O)c1ccc(-c2ncon2)cc1 ZINC000112760543 463707177 /nfs/dbraw/zinc/70/71/77/463707177.db2.gz LXJXDDJBNKBEKM-UHFFFAOYSA-N -1 0 337.401 2.232 50 0 EEAARM O=C([O-])c1cccc(OCCNc2cc([C@@H]3CCOC3)ncn2)c1 ZINC000299774701 465886495 /nfs/dbraw/zinc/88/64/95/465886495.db2.gz HZRXQKANGDXQPI-CYBMUJFWSA-N -1 0 329.356 2.170 50 0 EEAARM CCCCCn1c2nnc(CCC(=O)[O-])n2c2ccsc2c1=O ZINC000575615714 468149535 /nfs/dbraw/zinc/14/95/35/468149535.db2.gz JHAMXMGLDYFGFN-UHFFFAOYSA-N -1 0 334.401 2.313 50 0 EEAARM C[C@H]1C[C@H]1C(=O)N[C@@H](Cc1sccc1Br)C(=O)[O-] ZINC000585134187 468984483 /nfs/dbraw/zinc/98/44/83/468984483.db2.gz HDFCMIPOXPJNMR-OOZYFLPDSA-N -1 0 332.219 2.279 50 0 EEAARM COC(=O)c1c(-c2ccncc2)csc1NC(=O)CCC(=O)[O-] ZINC000017068745 500618998 /nfs/dbraw/zinc/61/89/98/500618998.db2.gz ATTWWSRFQVGJHI-UHFFFAOYSA-N -1 0 334.353 2.400 50 0 EEAARM 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COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(OC)o2)C1 ZINC000091906740 462913811 /nfs/dbraw/zinc/91/38/11/462913811.db2.gz GAISBQRQJJFFQU-INIZCTEOSA-N -1 0 325.361 2.022 50 0 EEAARM COc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1C(=O)[O-] ZINC000016623922 462984516 /nfs/dbraw/zinc/98/45/16/462984516.db2.gz JFTOQPFYLWVUBJ-QWRGUYRKSA-N -1 0 327.402 2.060 50 0 EEAARM O=C([O-])CSCC(=O)Nc1sccc1C(=O)NC1CCCC1 ZINC000017071546 462994812 /nfs/dbraw/zinc/99/48/12/462994812.db2.gz FPUSGBNUKACDCM-UHFFFAOYSA-N -1 0 342.442 2.177 50 0 EEAARM COCCn1ccnc1[C@H]1CCCN(c2nc(C)ccc2C(=O)[O-])C1 ZINC000095506917 463097857 /nfs/dbraw/zinc/09/78/57/463097857.db2.gz MWDGUYYMSZLEKB-AWEZNQCLSA-N -1 0 344.415 2.315 50 0 EEAARM Cn1nc(-c2ccccc2[N-]S(=O)(=O)c2ccccc2)ccc1=O ZINC000096025161 463141247 /nfs/dbraw/zinc/14/12/47/463141247.db2.gz VVLGGCIRBHCTDQ-UHFFFAOYSA-N -1 0 341.392 2.248 50 0 EEAARM COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1oc(C)cc(=O)c1O ZINC000096113751 463180229 /nfs/dbraw/zinc/18/02/29/463180229.db2.gz FXDJUSFHASXVLH-LBPRGKRZSA-N -1 0 332.308 2.047 50 0 biogenic EEAARM CSCC[C@H](O)c1nc(-c2ccc(F)c(F)c2)nn1CC(=O)[O-] ZINC000097743677 463362585 /nfs/dbraw/zinc/36/25/85/463362585.db2.gz GDQPWZKHXZUNTL-NSHDSACASA-N -1 0 343.355 2.094 50 0 EEAARM Nc1nccc(N2CCC[C@](Cc3ccc(F)cc3)(C(=O)[O-])C2)n1 ZINC000071498615 463415814 /nfs/dbraw/zinc/41/58/14/463415814.db2.gz ITLQNYVZBHRIGC-QGZVFWFLSA-N -1 0 330.363 2.112 50 0 EEAARM C[C@@H]1C[C@@H]1C(=O)N[C@@H](Cc1sccc1Br)C(=O)[O-] ZINC000585134186 468984128 /nfs/dbraw/zinc/98/41/28/468984128.db2.gz HDFCMIPOXPJNMR-FJXKBIBVSA-N -1 0 332.219 2.279 50 0 EEAARM CC(C)c1cc(C(=O)N2CCC[C@@H](c3ccnn3CC(=O)[O-])C2)no1 ZINC000426474271 535349514 /nfs/dbraw/zinc/34/95/14/535349514.db2.gz NDRCQGYFNWIVKZ-GFCCVEGCSA-N -1 0 346.387 2.099 50 0 EEAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC000216912638 536026663 /nfs/dbraw/zinc/02/66/63/536026663.db2.gz FXEYKICCCZCXII-GOSISDBHSA-N -1 0 328.368 2.245 50 0 EEAARM Cn1c(SCC(=O)Nc2ccc(CC(=O)[O-])cc2)nnc1C1CC1 ZINC000012779048 1222091850 /nfs/dbraw/zinc/09/18/50/1222091850.db2.gz JOHCZGXMADRZPC-UHFFFAOYSA-N -1 0 346.412 2.050 50 0 EEAARM CCc1nc(CCCn2cccn2)n(-c2ccc(C(=O)[O-])cc2)n1 ZINC000823560487 798747819 /nfs/dbraw/zinc/74/78/19/798747819.db2.gz PXOXYPXGQLMUKS-UHFFFAOYSA-N -1 0 325.372 2.357 50 0 EEAARM CCOc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)cc(Br)c1O ZINC000019737357 202018501 /nfs/dbraw/zinc/01/85/01/202018501.db2.gz RKOSVMICMGPCSO-GZMMTYOYSA-N -1 0 348.218 2.342 50 0 EEAARM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCc2ccccc2)c1 ZINC000024959628 202124346 /nfs/dbraw/zinc/12/43/46/202124346.db2.gz JFKXLUKJYNUHJJ-UHFFFAOYSA-N -1 0 332.425 2.339 50 0 EEAARM COc1ccc2[nH]cc(CCNC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)c2c1 ZINC000072326109 202363988 /nfs/dbraw/zinc/36/39/88/202363988.db2.gz VGRXAXNXPMMNEV-CABCVRRESA-N -1 0 330.384 2.192 50 0 biogenic EEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)n[nH]1 ZINC000021096435 212206190 /nfs/dbraw/zinc/20/61/90/212206190.db2.gz AXAUQMMXJYPPOW-UHFFFAOYSA-N -1 0 329.765 2.041 50 0 EEAARM Cc1ccc(N2CCC(Oc3ccc(C)nc3C)(C(=O)[O-])CC2)nn1 ZINC000072459197 203227655 /nfs/dbraw/zinc/22/76/55/203227655.db2.gz MHPRKDNBPNEXHY-UHFFFAOYSA-N -1 0 342.399 2.299 50 0 EEAARM CCn1ccnc1CN1CCC(Oc2ccc(C)nc2)(C(=O)[O-])CC1 ZINC000072475596 203230501 /nfs/dbraw/zinc/23/05/01/203230501.db2.gz DVCSQVGSRFWQBZ-UHFFFAOYSA-N -1 0 344.415 2.105 50 0 EEAARM CC(C)(C)c1cc(CN2CCCn3nc(CCC(=O)[O-])cc3C2)[nH]n1 ZINC000072481442 203232778 /nfs/dbraw/zinc/23/27/78/203232778.db2.gz UUWKVCHFAKRGMY-UHFFFAOYSA-N -1 0 345.447 2.327 50 0 EEAARM O=C([O-])C1(Oc2ccc3c(c2)CCC3)CCN(Cc2c[nH]cn2)CC1 ZINC000072417756 203219141 /nfs/dbraw/zinc/21/91/41/203219141.db2.gz DHTJDYPCGJPGFK-UHFFFAOYSA-N -1 0 341.411 2.397 50 0 EEAARM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nnc(CC)s2)cc1 ZINC000000048142 205397953 /nfs/dbraw/zinc/39/79/53/205397953.db2.gz NGPIVEPBHXUUJC-UHFFFAOYSA-N -1 0 340.430 2.250 50 0 EEAARM Cc1coc2cc3oc(=O)c(CC(=O)N(C)CC(=O)[O-])c(C)c3cc12 ZINC000003863625 205672527 /nfs/dbraw/zinc/67/25/27/205672527.db2.gz KEJAFVRBDZDOHX-UHFFFAOYSA-N -1 0 343.335 2.242 50 0 biogenic EEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)OCO2 ZINC000106795575 304207147 /nfs/dbraw/zinc/20/71/47/304207147.db2.gz JSMRRUGJBBICOI-CQSZACIVSA-N -1 0 325.320 2.067 50 0 EEAARM O=[P@@]([O-])(O)[C@H](NCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000012997505 207263576 /nfs/dbraw/zinc/26/35/76/207263576.db2.gz HQMJHZUOFAHJLE-INIZCTEOSA-N -1 0 335.296 2.424 50 0 EEAARM O=C([O-])c1cc(=O)[nH]c(-c2cccc(I)c2)n1 ZINC000328578672 257844749 /nfs/dbraw/zinc/84/47/49/257844749.db2.gz SBIHKNGIXMOZJU-UHFFFAOYSA-N -1 0 342.092 2.152 50 0 EEAARM C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)C(=O)[C@H]12 ZINC000005575337 300856664 /nfs/dbraw/zinc/85/66/64/300856664.db2.gz SONMLJMSILSTDJ-PRRDBKRISA-N -1 0 347.754 2.261 50 0 EEAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)[C@@]3(C)CCCO3)CC2)cc1 ZINC000072463042 301655507 /nfs/dbraw/zinc/65/55/07/301655507.db2.gz DXZZSPMPQODUTQ-GOSISDBHSA-N -1 0 347.411 2.389 50 0 EEAARM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)nc1 ZINC000057280257 441104505 /nfs/dbraw/zinc/10/45/05/441104505.db2.gz PRKLCQMNQWFWLC-UHFFFAOYSA-N -1 0 345.424 2.445 50 0 EEAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2cccc(Cl)c2)cs1 ZINC000012536243 441135200 /nfs/dbraw/zinc/13/52/00/441135200.db2.gz JCMBXLOYNCFFFY-UHFFFAOYSA-N -1 0 345.833 2.349 50 0 EEAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2ccc(Cl)cc2)cs1 ZINC000025052633 441328448 /nfs/dbraw/zinc/32/84/48/441328448.db2.gz POCYGMNEMYPFIT-UHFFFAOYSA-N -1 0 345.833 2.349 50 0 EEAARM Cc1nn(C)cc1-c1cc(C(F)F)nc(N2CCC[C@H]2C(=O)[O-])n1 ZINC000002554286 462594838 /nfs/dbraw/zinc/59/48/38/462594838.db2.gz MLHYDXSRXJUEOT-LBPRGKRZSA-N -1 0 337.330 2.177 50 0 EEAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000000428728 462562488 /nfs/dbraw/zinc/56/24/88/462562488.db2.gz AHFQJGCYCCSLJW-UHFFFAOYSA-N -1 0 346.408 2.405 50 0 EEAARM O=C(NCc1cccc(F)c1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001255314 462579067 /nfs/dbraw/zinc/57/90/67/462579067.db2.gz IBRADQYZFUQPAH-UHFFFAOYSA-N -1 0 338.338 2.332 50 0 EEAARM C[C@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000001652527 462584644 /nfs/dbraw/zinc/58/46/44/462584644.db2.gz YAKPNJNXBBFKBV-WIOAZZGGSA-N -1 0 338.363 2.047 50 0 EEAARM CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCC(=O)[O-])ccc12 ZINC000002100508 462589301 /nfs/dbraw/zinc/58/93/01/462589301.db2.gz PTEFSDJFCNHWNI-LLVKDONJSA-N -1 0 347.367 2.104 50 0 biogenic EEAARM CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002390937 462593107 /nfs/dbraw/zinc/59/31/07/462593107.db2.gz AJDUMMXHVCMISJ-CYBMUJFWSA-N -1 0 337.372 2.488 50 0 EEAARM CCCc1cc2c(nc(C)n([N-]C(=O)c3ccn(CC)n3)c2=O)s1 ZINC000002781493 462602938 /nfs/dbraw/zinc/60/29/38/462602938.db2.gz BJRQNZPYCIMCEQ-UHFFFAOYSA-N -1 0 345.428 2.319 50 0 EEAARM CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000003326579 462616047 /nfs/dbraw/zinc/61/60/47/462616047.db2.gz JPHWLKXMPXEGMQ-JTQLQIEISA-N -1 0 326.201 2.381 50 0 EEAARM C[C@@H](Sc1nc2c(ncnc2N)n1Cc1ccccc1)C(=O)[O-] ZINC000003656498 462625278 /nfs/dbraw/zinc/62/52/78/462625278.db2.gz SSDVMCMHDZFAKI-SECBINFHSA-N -1 0 329.385 2.022 50 0 EEAARM Cc1ccc2cccc(S(=O)(=O)N3CCC(C(=O)[O-])CC3)c2n1 ZINC000004192961 462629331 /nfs/dbraw/zinc/62/93/31/462629331.db2.gz HDIWYTKDSYZFAH-UHFFFAOYSA-N -1 0 334.397 2.029 50 0 EEAARM CN1c2ccccc2C(=N[N-]c2nnc3c4ccccc4[nH]c3n2)C1=O ZINC000004737669 462636656 /nfs/dbraw/zinc/63/66/56/462636656.db2.gz GJGVDBILEVGJBU-PXLXIMEGSA-N -1 0 343.350 2.299 50 0 EEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000006339389 462683173 /nfs/dbraw/zinc/68/31/73/462683173.db2.gz WFBJXOSYXVXMGA-SJORKVTESA-N -1 0 330.428 2.222 50 0 EEAARM COc1cc(-c2oc3cc([O-])cc(O)c3c(=O)c2O)cc(OC)c1O ZINC000006483609 462686546 /nfs/dbraw/zinc/68/65/46/462686546.db2.gz UZMAPBJVXOGOFT-UHFFFAOYSA-N -1 0 346.291 2.300 50 0 biogenic,in-vitro EEAARM COc1ccc(CNC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])cc1OC ZINC000006730668 462700669 /nfs/dbraw/zinc/70/06/69/462700669.db2.gz JUWRUVAEWMSEDT-YCUKKYJWSA-N -1 0 347.411 2.457 50 0 EEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000006741255 462701709 /nfs/dbraw/zinc/70/17/09/462701709.db2.gz UNMJTLKLXFFNQO-ZWKOTPCHSA-N -1 0 342.439 2.040 50 0 EEAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000006913935 462711793 /nfs/dbraw/zinc/71/17/93/462711793.db2.gz RPAXIUYBXPEYSB-UHFFFAOYSA-N -1 0 327.383 2.344 50 0 EEAARM COc1ccccc1N1CCN(Cc2ncccc2C(=O)[O-])CC1 ZINC000065429525 462769900 /nfs/dbraw/zinc/76/99/00/462769900.db2.gz BYNBGXHVTSXYHE-UHFFFAOYSA-N -1 0 327.384 2.111 50 0 EEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)COc1ccccc1 ZINC000012747086 462865436 /nfs/dbraw/zinc/86/54/36/462865436.db2.gz QDMBRCDZNAGKCQ-UHFFFAOYSA-N -1 0 329.381 2.022 50 0 EEAARM O=C([O-])c1n[nH]cc1C[N@@H+]1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095380134 463071932 /nfs/dbraw/zinc/07/19/32/463071932.db2.gz LFPNPGPMISDMNU-ZDUSSCGKSA-N -1 0 329.356 2.186 50 0 EEAARM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000024957596 463102476 /nfs/dbraw/zinc/10/24/76/463102476.db2.gz KVUVXVGFWWPNNZ-UHFFFAOYSA-N -1 0 339.344 2.178 50 0 EEAARM CCCS(=O)(=O)[N-]C(=O)c1csc(-c2ccccc2OC)n1 ZINC000123101874 463317035 /nfs/dbraw/zinc/31/70/35/463317035.db2.gz JXHQUTOZFVMMSX-UHFFFAOYSA-N -1 0 340.426 2.288 50 0 EEAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccccc2F)CC1 ZINC000032611417 463382798 /nfs/dbraw/zinc/38/27/98/463382798.db2.gz LPRSYGBTTXMSLM-HZPDHXFCSA-N -1 0 348.418 2.361 50 0 EEAARM C[C@@H](CN(C)C(=O)c1ccc(F)cc1C(F)(F)F)c1nnn[n-]1 ZINC000124370333 463415039 /nfs/dbraw/zinc/41/50/39/463415039.db2.gz SLTXPJKASPQJKP-ZETCQYMHSA-N -1 0 331.273 2.233 50 0 EEAARM COc1cccc2ccn(CCC(=O)N3CCC(C(=O)[O-])CC3)c21 ZINC000040312541 463454907 /nfs/dbraw/zinc/45/49/07/463454907.db2.gz RLIKORUKUJLMMI-UHFFFAOYSA-N -1 0 330.384 2.363 50 0 biogenic EEAARM C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)NCc1cccnc1)c3[O-] ZINC000170624712 463685709 /nfs/dbraw/zinc/68/57/09/463685709.db2.gz HPODPQDKZAOQHG-NSHDSACASA-N -1 0 335.363 2.149 50 0 EEAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)CN(C)Cc2ccccc2F)C1 ZINC000240824906 464449291 /nfs/dbraw/zinc/44/92/91/464449291.db2.gz QLTPYPNHVNJIPC-SFHVURJKSA-N -1 0 336.407 2.361 50 0 EEAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)NCc1ccccc1)C2 ZINC000072453955 676574768 /nfs/dbraw/zinc/57/47/68/676574768.db2.gz NPUTWHSBHBQWKV-UHFFFAOYSA-N -1 0 342.399 2.016 50 0 EEAARM Cc1cc(C(=O)N2CC[C@@H](Cc3cccc(C(=O)[O-])c3)C2)n(C)n1 ZINC000072133057 1253445096 /nfs/dbraw/zinc/44/50/96/1253445096.db2.gz KELOYZOKVJBAKD-AWEZNQCLSA-N -1 0 327.384 2.132 50 0 EEAARM O=C([O-])CCS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc32)cc1 ZINC000072172443 1286315647 /nfs/dbraw/zinc/31/56/47/1286315647.db2.gz VWTCYGSGVYXMIB-UHFFFAOYSA-N -1 0 330.365 2.478 50 0 EEAARM CC1CCN(C(=O)CCc2nnc(-c3ccccc3)[n-]c2=O)CC1 ZINC000034767657 202276677 /nfs/dbraw/zinc/27/66/77/202276677.db2.gz UYNIYXJLOVYAPY-UHFFFAOYSA-N -1 0 326.400 2.435 50 0 EEAARM CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCOCC3)c2c1 ZINC000036360180 202323058 /nfs/dbraw/zinc/32/30/58/202323058.db2.gz PEDBXVTWLFEWEP-INIZCTEOSA-N -1 0 345.399 2.220 50 0 EEAARM O=C([O-])[C@H]1CS[C@@H](c2cccc(I)c2)N1 ZINC000000033530 201424862 /nfs/dbraw/zinc/42/48/62/201424862.db2.gz VOTMLFJCGOIEBG-BDAKNGLRSA-N -1 0 335.166 2.079 50 0 EEAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(Cc3noc(C4CC4)n3)CC2)C1 ZINC000426515542 241301988 /nfs/dbraw/zinc/30/19/88/241301988.db2.gz OGLYGNMFCQCOQZ-UONOGXRCSA-N -1 0 347.415 2.229 50 0 EEAARM Nc1nccc(N2CCC[C@@](Cc3ccc(F)cc3F)(C(=O)[O-])C2)n1 ZINC000071751760 203108059 /nfs/dbraw/zinc/10/80/59/203108059.db2.gz DBNZHOAHTWCGSM-KRWDZBQOSA-N -1 0 348.353 2.251 50 0 EEAARM O=C([O-])C[NH+]1CCC(Cc2ccccc2C(F)(F)F)(C(=O)[O-])CC1 ZINC000071764507 203111169 /nfs/dbraw/zinc/11/11/69/203111169.db2.gz DXSYLFJUMLCRSC-UHFFFAOYSA-N -1 0 345.317 2.499 50 0 EEAARM Cc1nn(CC(=O)[O-])c2nc(-c3cnn(C)c3)cc(C(F)(F)F)c12 ZINC000020349732 212121274 /nfs/dbraw/zinc/12/12/74/212121274.db2.gz DNJQEPWMFYFCMY-UHFFFAOYSA-N -1 0 339.277 2.244 50 0 EEAARM CC(C)c1nc(N2CCN(c3ccccn3)CC2)ncc1C(=O)[O-] ZINC000075876642 203325502 /nfs/dbraw/zinc/32/55/02/203325502.db2.gz YHKIGBWARWLFQB-UHFFFAOYSA-N -1 0 327.388 2.020 50 0 EEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCSC(=O)C1CC1 ZINC000095918247 304151922 /nfs/dbraw/zinc/15/19/22/304151922.db2.gz HLGGBJSDEIYHTP-AWEZNQCLSA-N -1 0 333.409 2.084 50 0 EEAARM CCCNC(=O)CCC(=O)Nc1nc(C(=O)[O-])c(CC(C)C)s1 ZINC000096343650 203890545 /nfs/dbraw/zinc/89/05/45/203890545.db2.gz DVIDSPIFRUNIAT-UHFFFAOYSA-N -1 0 341.433 2.285 50 0 EEAARM CCc1[nH]nc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1C(=O)OC ZINC000048991550 204362933 /nfs/dbraw/zinc/36/29/33/204362933.db2.gz PWCNXFIKGQSHCZ-UHFFFAOYSA-N -1 0 343.792 2.213 50 0 EEAARM O=C([O-])CCCC(=O)Nc1ccccc1I ZINC000000256154 206221786 /nfs/dbraw/zinc/22/17/86/206221786.db2.gz UWALRMVWSYXHMD-UHFFFAOYSA-N -1 0 333.125 2.485 50 0 EEAARM O=C([O-])[C@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)c2ccccc2O1 ZINC000013436790 304197224 /nfs/dbraw/zinc/19/72/24/304197224.db2.gz GTGNGJJLCORFKV-SUMWQHHRSA-N -1 0 339.347 2.117 50 0 EEAARM O=C([O-])c1cc(NC(=O)[C@@H]2CC(=O)O[C@H]2c2ccccc2)ccc1O ZINC000004196333 304226061 /nfs/dbraw/zinc/22/60/61/304226061.db2.gz NRJOESYRGDWPTI-CJNGLKHVSA-N -1 0 341.319 2.333 50 0 EEAARM NC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)[O-])cc1 ZINC000012983519 207268695 /nfs/dbraw/zinc/26/86/95/207268695.db2.gz SFEXIXWEFOWSRB-UHFFFAOYSA-N -1 0 330.365 2.215 50 0 EEAARM CNC(=O)c1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000013252350 207367247 /nfs/dbraw/zinc/36/72/47/207367247.db2.gz LUOAVZSIFNYGRT-LJQANCHMSA-N -1 0 340.379 2.417 50 0 EEAARM COc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000013363124 207384202 /nfs/dbraw/zinc/38/42/02/207384202.db2.gz WOBUGPPBFMDKIC-UHFFFAOYSA-N -1 0 327.383 2.280 50 0 EEAARM C[C@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)C1 ZINC000262933178 152340431 /nfs/dbraw/zinc/34/04/31/152340431.db2.gz GQFOOUJSHHBKIL-KRWDZBQOSA-N -1 0 346.362 2.018 50 0 EEAARM CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC(=O)[O-] ZINC000002579055 289418715 /nfs/dbraw/zinc/41/87/15/289418715.db2.gz WPPAJJAZXGOHGZ-UHFFFAOYSA-N -1 0 336.413 2.049 50 0 EEAARM COCc1c2c(nc(C)c1Br)sc1c2[n-]nnc1=O ZINC000012510214 293297810 /nfs/dbraw/zinc/29/78/10/293297810.db2.gz SAYMVHDTBSXOPH-UHFFFAOYSA-N -1 0 341.190 2.145 50 0 EEAARM COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)cc(Br)c1OC ZINC000000070433 462540471 /nfs/dbraw/zinc/54/04/71/462540471.db2.gz FFMDVOVHWSCKHF-KWQFWETISA-N -1 0 348.218 2.255 50 0 EEAARM CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1 ZINC000000615643 462572510 /nfs/dbraw/zinc/57/25/10/462572510.db2.gz YMZFCVNZHSXQJJ-UHFFFAOYSA-N -1 0 337.353 2.290 50 0 EEAARM O=C([O-])c1ccc(NC(=O)Cn2c(=O)sc3ccccc32)cc1 ZINC000000796552 462573971 /nfs/dbraw/zinc/57/39/71/462573971.db2.gz NLXIKGNWIULWHU-UHFFFAOYSA-N -1 0 328.349 2.400 50 0 EEAARM O=C(CSc1nnc(-c2ccccc2)c(=O)[n-]1)NC1CCCC1 ZINC000001282250 462578736 /nfs/dbraw/zinc/57/87/36/462578736.db2.gz DAIHSNDRHQSZNT-UHFFFAOYSA-N -1 0 330.413 2.395 50 0 EEAARM CN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1ccc2c(c1)OCO2 ZINC000001629510 462584916 /nfs/dbraw/zinc/58/49/16/462584916.db2.gz WTYHJVRWDIGCCZ-HZPDHXFCSA-N -1 0 325.320 2.410 50 0 EEAARM O=C([O-])CC[C@@H](CNS(=O)(=O)c1ccccc1)C(F)(F)F ZINC000002451288 462593805 /nfs/dbraw/zinc/59/38/05/462593805.db2.gz MELJVCIFVMLMBS-VIFPVBQESA-N -1 0 325.308 2.008 50 0 EEAARM CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000113676026 462610374 /nfs/dbraw/zinc/61/03/74/462610374.db2.gz GVHPHUCBERPOMK-LBPRGKRZSA-N -1 0 346.836 2.278 50 0 EEAARM Cc1coc2cc3oc(=O)c(CC(=O)NCCC(=O)[O-])c(C)c3cc12 ZINC000003863608 462625511 /nfs/dbraw/zinc/62/55/11/462625511.db2.gz AOMQUEDCEIEILC-UHFFFAOYSA-N -1 0 343.335 2.289 50 0 biogenic EEAARM CC(=NN=C1NC(=O)[C@H](CC(=O)[O-])S1)c1ccc(Cl)cc1 ZINC000004380662 462631348 /nfs/dbraw/zinc/63/13/48/462631348.db2.gz VYKAUZXSJNDTEF-JTQLQIEISA-N -1 0 325.777 2.126 50 0 EEAARM O=C([O-])C[C@H](CN1C(=S)N=NC1c1cnccn1)c1ccccc1 ZINC000004623181 462635372 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O=C(C[C@@H]1OCCc2ccccc21)[N-]S(=O)(=O)CC1CCCC1 ZINC000118156617 462826622 /nfs/dbraw/zinc/82/66/22/462826622.db2.gz UYGXRBDNEYNNED-INIZCTEOSA-N -1 0 337.441 2.327 50 0 EEAARM Cc1ccc(-c2cc(C(=O)[O-])nn2[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000011801694 462839400 /nfs/dbraw/zinc/83/94/00/462839400.db2.gz NFYXGZGSFDPDQJ-CYBMUJFWSA-N -1 0 334.397 2.225 50 0 EEAARM COc1cc(C(=O)[O-])ccc1OCC(=O)NCc1ccccc1F ZINC000013420336 462893369 /nfs/dbraw/zinc/89/33/69/462893369.db2.gz FVUWPORWAHAVBE-UHFFFAOYSA-N -1 0 333.315 2.228 50 0 EEAARM COCC[C@]1(C(=O)[O-])CCCN(c2nccc(C(F)(F)F)n2)C1 ZINC000091873008 462912575 /nfs/dbraw/zinc/91/25/75/462912575.db2.gz YHRHRSCKMIRYNS-CYBMUJFWSA-N -1 0 333.310 2.203 50 0 EEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000017067229 462993717 /nfs/dbraw/zinc/99/37/17/462993717.db2.gz KFWCICMZTLYSQM-LSDHHAIUSA-N -1 0 328.372 2.156 50 0 EEAARM Cc1cccc(-n2c3nc(C)cc(C(=O)[O-])c3c(=O)[nH]c2=S)c1 ZINC000020615704 463028788 /nfs/dbraw/zinc/02/87/88/463028788.db2.gz 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463200980 /nfs/dbraw/zinc/20/09/80/463200980.db2.gz QJOSHBYGDAMSBG-UHFFFAOYSA-N -1 0 338.414 2.175 50 0 EEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000110689298 463662495 /nfs/dbraw/zinc/66/24/95/463662495.db2.gz WMVSJEKCVWZAFF-CKEIUWERSA-N -1 0 335.363 2.489 50 0 EEAARM CCc1cccc(NC(=O)CCC(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000952872071 796055991 /nfs/dbraw/zinc/05/59/91/796055991.db2.gz IVJICHMODGFQBK-OAHLLOKOSA-N -1 0 332.400 2.433 50 0 EEAARM CNC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000126086097 290609809 /nfs/dbraw/zinc/60/98/09/290609809.db2.gz DVIAHOUMCHYFQA-WDEREUQCSA-N -1 0 333.413 2.151 50 0 EEAARM O=C([O-])C[C@@H]1Sc2nnc(C3CC3)n2N=C1c1ccc(F)cc1 ZINC000013181889 201887114 /nfs/dbraw/zinc/88/71/14/201887114.db2.gz ZWNCMKAJABXUSO-NSHDSACASA-N -1 0 332.360 2.496 50 0 EEAARM COc1cccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)c1 ZINC000102333610 219195328 /nfs/dbraw/zinc/19/53/28/219195328.db2.gz VRVYMLGIWBIRFM-UHFFFAOYSA-N -1 0 341.392 2.483 50 0 EEAARM O=C([O-])C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000003436149 304034957 /nfs/dbraw/zinc/03/49/57/304034957.db2.gz BPUOHSNLBQSJJC-UHFFFAOYSA-N -1 0 345.420 2.494 50 0 EEAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1onc(C)c1Cl ZINC000026187857 202140687 /nfs/dbraw/zinc/14/06/87/202140687.db2.gz CGCWFYMUPJAHOG-UHFFFAOYSA-N -1 0 336.778 2.285 50 0 EEAARM Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)[O-])n2)cc1 ZINC000032623452 202229252 /nfs/dbraw/zinc/22/92/52/202229252.db2.gz GKNBBLAQKHPPDY-UHFFFAOYSA-N -1 0 326.761 2.111 50 0 EEAARM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000032833819 202237318 /nfs/dbraw/zinc/23/73/18/202237318.db2.gz WWRKTRAINOKQGC-UHFFFAOYSA-N -1 0 339.369 2.492 50 0 EEAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000036697113 202328965 /nfs/dbraw/zinc/32/89/65/202328965.db2.gz HUDRYKZUQCMDAA-UHFFFAOYSA-N -1 0 337.382 2.212 50 0 EEAARM CCc1cc(CN2CCC(Oc3cccnc3C)(C(=O)[O-])CC2)on1 ZINC000072432262 216224638 /nfs/dbraw/zinc/22/46/38/216224638.db2.gz ULBWGUBQTUMTOC-UHFFFAOYSA-N -1 0 345.399 2.439 50 0 EEAARM Cn1nc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c2c1cccc2Cl ZINC000426640539 241320348 /nfs/dbraw/zinc/32/03/48/241320348.db2.gz RSKHSRYQOGYEET-VHSXEESVSA-N -1 0 335.791 2.344 50 0 EEAARM COC(=O)C[C@H](c1ccc(OC)cc1OC)c1c([O-])cc(C)oc1=O ZINC000217953822 241286685 /nfs/dbraw/zinc/28/66/85/241286685.db2.gz CXRDOWYIRPHYRI-CYBMUJFWSA-N -1 0 348.351 2.366 50 0 biogenic EEAARM Cc1cc(C)n(-c2cccc(CN(C)C(=O)N[C@H](C)C(=O)[O-])c2)n1 ZINC000426604289 241316629 /nfs/dbraw/zinc/31/66/29/241316629.db2.gz LDNIEGPZHHNDBR-CYBMUJFWSA-N -1 0 330.388 2.104 50 0 EEAARM CC(C)C[C@@H](CC(=O)[O-])NC(=O)c1cccc(N2CCOCC2)c1 ZINC000223490892 241657947 /nfs/dbraw/zinc/65/79/47/241657947.db2.gz SXIRHTGNZWOUBN-HNNXBMFYSA-N -1 0 334.416 2.142 50 0 EEAARM COc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000071285755 203090422 /nfs/dbraw/zinc/09/04/22/203090422.db2.gz DLWJMSPMXDLBGK-KGLIPLIRSA-N -1 0 346.383 2.339 50 0 EEAARM O=C([O-])c1ccc([C@H]2CCN(C(=O)CCCc3cn[nH]c3)C2)cc1 ZINC000072121564 203164031 /nfs/dbraw/zinc/16/40/31/203164031.db2.gz LJNWHDQQHUUVCI-INIZCTEOSA-N -1 0 327.384 2.447 50 0 EEAARM O=C([O-])C1(Oc2ccc3c(c2)OCO3)CCN(C(=O)CC2CC2)CC1 ZINC000072448277 203226970 /nfs/dbraw/zinc/22/69/70/203226970.db2.gz LPYADKYENIHYRJ-UHFFFAOYSA-N -1 0 347.367 2.040 50 0 EEAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)c3ccc[nH]3)CC2)c(C)n1 ZINC000072454570 203227959 /nfs/dbraw/zinc/22/79/59/203227959.db2.gz BGENQSQCHANTRU-UHFFFAOYSA-N -1 0 343.383 2.165 50 0 EEAARM Cc1cnn(C2(C(=O)[O-])CCN(c3cnc4ccccc4n3)CC2)c1 ZINC000072423462 203220011 /nfs/dbraw/zinc/22/00/11/203220011.db2.gz GVBKOORPOTUJRO-UHFFFAOYSA-N -1 0 337.383 2.215 50 0 EEAARM CC[C@H](Cn1ccnc1)Nc1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000072423724 203220554 /nfs/dbraw/zinc/22/05/54/203220554.db2.gz WUXSPLAPTWNRFR-CYBMUJFWSA-N -1 0 338.371 2.324 50 0 EEAARM CN(C)c1cccc(C(=O)N2C[C@@H](c3cccnc3)[C@H](C(=O)[O-])C2)c1 ZINC000091445076 203634898 /nfs/dbraw/zinc/63/48/98/203634898.db2.gz IMNKMIFRCYNUGZ-DLBZAZTESA-N -1 0 339.395 2.088 50 0 EEAARM O=C([O-])C1=Nc2nnnn2[C@H](c2cccc(OCc3ccccc3)c2)C1 ZINC000101675606 204017705 /nfs/dbraw/zinc/01/77/05/204017705.db2.gz ZKAHQYMMAYRSRG-INIZCTEOSA-N -1 0 349.350 2.236 50 0 EEAARM O=C([O-])[C@H]1CCCN1Cc1cc2c(cc1Br)OCCO2 ZINC000035302230 304187363 /nfs/dbraw/zinc/18/73/63/304187363.db2.gz HOJGBHGYOGLSBN-LLVKDONJSA-N -1 0 342.189 2.269 50 0 EEAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000007952089 304219066 /nfs/dbraw/zinc/21/90/66/304219066.db2.gz UVLZCTQEODWKPJ-NSHDSACASA-N -1 0 340.788 2.261 50 0 EEAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000004019418 207146865 /nfs/dbraw/zinc/14/68/65/207146865.db2.gz SGNMYQZQSHDHLZ-HZPDHXFCSA-N -1 0 334.391 2.365 50 0 EEAARM COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000012525981 207165100 /nfs/dbraw/zinc/16/51/00/207165100.db2.gz MVSBWJFUXWLHKP-UHFFFAOYSA-N -1 0 349.364 2.281 50 0 EEAARM 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CCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000009378598 462803036 /nfs/dbraw/zinc/80/30/36/462803036.db2.gz TVGRUMQDOVDMRR-UHFFFAOYSA-N -1 0 349.416 2.036 50 0 EEAARM CCCCCC1C(=O)N=C(SCC(=O)N2CCCCC2)N=C1[O-] ZINC000009884761 462807995 /nfs/dbraw/zinc/80/79/95/462807995.db2.gz VZQGMAVSDAGFQU-UHFFFAOYSA-N -1 0 339.461 2.313 50 0 EEAARM O=c1[n-]c(Cn2cc(-c3ccc(-c4ccccc4Cl)o3)nn2)n[nH]1 ZINC000091586874 462889786 /nfs/dbraw/zinc/88/97/86/462889786.db2.gz OCNUESUUCUHNPO-UHFFFAOYSA-N -1 0 342.746 2.318 50 0 EEAARM C[C@H](O)[C@@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)[O-] ZINC000013654349 462898487 /nfs/dbraw/zinc/89/84/87/462898487.db2.gz PLUVXXGNYHRYRK-ZUZCIYMTSA-N -1 0 340.335 2.059 50 0 EEAARM O=c1c2[n-][nH]n(Cc3cccc(F)c3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000067341471 462994146 /nfs/dbraw/zinc/99/41/46/462994146.db2.gz CYVYJTVDOWQMPG-CABCVRRESA-N -1 0 342.305 2.458 50 0 EEAARM NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCc1ccccc1-2 ZINC000017071832 462994530 /nfs/dbraw/zinc/99/45/30/462994530.db2.gz 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1114596139 /nfs/dbraw/zinc/59/61/39/1114596139.db2.gz MNNLMUKHVUSZJJ-UHFFFAOYSA-N -1 0 346.431 2.230 50 0 EEAARM Cc1cc(C(=O)[O-])nc(N2CCC[C@@H](c3nc(CC(C)C)no3)C2)n1 ZINC001529114597 1121323978 /nfs/dbraw/zinc/32/39/78/1121323978.db2.gz QPNRVQNXJKEELE-GFCCVEGCSA-N -1 0 345.403 2.449 50 0 EEAARM CCn1c(=O)c2ccc(C(=O)Nc3ccccn3)cc2[n-]c1=S ZINC000102352101 219196492 /nfs/dbraw/zinc/19/64/92/219196492.db2.gz YMSXVFCPAUPXTF-UHFFFAOYSA-N -1 0 326.381 2.352 50 0 EEAARM COc1ccc(C)cc1-n1c(SCC(=O)[O-])nnc1-c1cc[nH]n1 ZINC000067694511 215187095 /nfs/dbraw/zinc/18/70/95/215187095.db2.gz WZSRUZUBHWTVOM-UHFFFAOYSA-N -1 0 345.384 2.151 50 0 EEAARM CC(=O)c1cn(CCC(=O)N[C@H](C(=O)[O-])C(C)C)c2ccccc12 ZINC000040309503 213291026 /nfs/dbraw/zinc/29/10/26/213291026.db2.gz HADNHTSGOBCUDG-KRWDZBQOSA-N -1 0 330.384 2.459 50 0 biogenic EEAARM CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCC(=O)[O-])c12 ZINC000000487664 209631561 /nfs/dbraw/zinc/63/15/61/209631561.db2.gz RXDCZUIWBZZKRP-LLVKDONJSA-N -1 0 347.367 2.022 50 0 biogenic EEAARM O=C([O-])C1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000037405924 213144952 /nfs/dbraw/zinc/14/49/52/213144952.db2.gz UQDDXNULJBYSBM-JXMROGBWSA-N -1 0 329.805 2.437 50 0 EEAARM CC(=O)Oc1ccccc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000000285221 209517705 /nfs/dbraw/zinc/51/77/05/209517705.db2.gz VFLWXECFTSEUDV-UHFFFAOYSA-N -1 0 325.276 2.111 50 0 EEAARM CCn1c(=O)c2ccc(C(=O)NC3(C)CCOCC3)cc2[n-]c1=S ZINC000130246646 223136033 /nfs/dbraw/zinc/13/60/33/223136033.db2.gz MZHIGFHRHUVSIJ-UHFFFAOYSA-N -1 0 347.440 2.004 50 0 EEAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000022259039 212285747 /nfs/dbraw/zinc/28/57/47/212285747.db2.gz CGZZUDQDTSCTGA-UHFFFAOYSA-N -1 0 340.788 2.248 50 0 EEAARM COc1ccc(C(=O)[O-])cc1NC(=O)CSc1nnc(C)s1 ZINC000215672732 241136559 /nfs/dbraw/zinc/13/65/59/241136559.db2.gz FKVWUJYAMVMMBQ-UHFFFAOYSA-N -1 0 339.398 2.284 50 0 EEAARM O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@@H]12 ZINC000001825243 304155133 /nfs/dbraw/zinc/15/51/33/304155133.db2.gz OKWDWXQSIUNHER-QXFUBDJGSA-N -1 0 335.362 2.075 50 0 biogenic EEAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000017071018 211951435 /nfs/dbraw/zinc/95/14/35/211951435.db2.gz OBSWAGFDAITYHK-IUCAKERBSA-N -1 0 338.429 2.411 50 0 EEAARM C[C@H](NC(=O)c1ccc2nc(-c3ccccc3)cn2c1)c1nnn[n-]1 ZINC000095387642 218318850 /nfs/dbraw/zinc/31/88/50/218318850.db2.gz ALLRRTKMOPTKDI-NSHDSACASA-N -1 0 333.355 2.005 50 0 EEAARM CC(C)(C)c1cc(-c2cn([C@H](Cc3ccco3)C(=O)[O-])nn2)n[nH]1 ZINC000095387521 218319203 /nfs/dbraw/zinc/31/92/03/218319203.db2.gz ORURURCFRZZCAH-CYBMUJFWSA-N -1 0 329.360 2.427 50 0 EEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000006362111 210622326 /nfs/dbraw/zinc/62/23/26/210622326.db2.gz SQHHYIBQHHKHIW-UHFFFAOYSA-N -1 0 337.353 2.233 50 0 EEAARM O=C([O-])c1cncnc1N1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000095383789 304280011 /nfs/dbraw/zinc/28/00/11/304280011.db2.gz VGKALEFODXPTDZ-UHFFFAOYSA-N -1 0 346.431 2.230 50 0 EEAARM C[C@@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)CC1 ZINC000103985646 287341087 /nfs/dbraw/zinc/34/10/87/287341087.db2.gz UEPBZZAJSVBIAP-LLVKDONJSA-N -1 0 331.441 2.484 50 0 EEAARM CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000001695090 278203151 /nfs/dbraw/zinc/20/31/51/278203151.db2.gz LIUMLXJZIMYUSU-UHFFFAOYSA-N -1 0 334.353 2.144 50 0 EEAARM CC1=C[C@H](C)[C@H]2C(=O)N([C@H](Cc3ccccc3)C(=O)[O-])C(=O)[C@H]2C1 ZINC000000525669 281696961 /nfs/dbraw/zinc/69/69/61/281696961.db2.gz ROFIOFAMWLWFLJ-ARLBYUKCSA-N -1 0 327.380 2.270 50 0 biogenic EEAARM NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCC2 ZINC000002740838 303338594 /nfs/dbraw/zinc/33/85/94/303338594.db2.gz MRLUYNJGGLXDTR-UWVGGRQHSA-N -1 0 348.424 2.331 50 0 EEAARM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000020134864 441262594 /nfs/dbraw/zinc/26/25/94/441262594.db2.gz ZGUBMSRYBHXZTK-UHFFFAOYSA-N -1 0 332.790 2.384 50 0 EEAARM CC(C)(C)OC(=O)N[C@@H](CSCCc1ccncc1)C(=O)[O-] ZINC000002583256 462595245 /nfs/dbraw/zinc/59/52/45/462595245.db2.gz VVTDUMYLIKYKGJ-LBPRGKRZSA-N -1 0 326.418 2.335 50 0 EEAARM COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc(Br)c1OC ZINC000000070429 462540685 /nfs/dbraw/zinc/54/06/85/462540685.db2.gz FFMDVOVHWSCKHF-LDYMZIIASA-N -1 0 348.218 2.255 50 0 EEAARM CCOC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000000116203 462542984 /nfs/dbraw/zinc/54/29/84/462542984.db2.gz MHIBAPFQSMMVMN-UHFFFAOYSA-N -1 0 344.389 2.189 50 0 EEAARM COc1ccc(CCNC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1OC ZINC000000129844 462543747 /nfs/dbraw/zinc/54/37/47/462543747.db2.gz YWDCGKQJXZBZGP-ZIAGYGMSSA-N -1 0 335.400 2.254 50 0 biogenic,in-vitro EEAARM CN(C)c1ncc([N-]S(=O)(=O)c2ccc3ccccc3c2)cn1 ZINC000085555703 462552745 /nfs/dbraw/zinc/55/27/45/462552745.db2.gz RLEPLRFMHMYANP-UHFFFAOYSA-N -1 0 328.397 2.497 50 0 EEAARM O=C([O-])[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccccc1 ZINC000000314881 462554635 /nfs/dbraw/zinc/55/46/35/462554635.db2.gz WXRDOYKQGTZUTF-AWEZNQCLSA-N -1 0 339.800 2.314 50 0 EEAARM Cc1cc(-c2cccnc2)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1 ZINC000000390786 462559393 /nfs/dbraw/zinc/55/93/93/462559393.db2.gz BXUOFJOIOAHNPA-UHFFFAOYSA-N -1 0 341.396 2.230 50 0 EEAARM COc1cc(C(=O)NCCCCCC(=O)[O-])cc(OC)c1OC ZINC000001759558 462586998 /nfs/dbraw/zinc/58/69/98/462586998.db2.gz MPTXLVRHYGBOQY-UHFFFAOYSA-N -1 0 325.361 2.087 50 0 in-man EEAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1C(N)=O ZINC000002766906 462601788 /nfs/dbraw/zinc/60/17/88/462601788.db2.gz FLVXSHGBCSLTLK-WDEREUQCSA-N -1 0 336.413 2.323 50 0 EEAARM CC(C)C[C@@H]1COCCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000113991694 462620543 /nfs/dbraw/zinc/62/05/43/462620543.db2.gz UMSJIAJHNYSZBU-GFCCVEGCSA-N -1 0 347.440 2.099 50 0 EEAARM CCCCN1C(=O)[N-]C(=O)C(=C(CC)NCc2ccc(F)cc2)C1=O ZINC000005978654 462673138 /nfs/dbraw/zinc/67/31/38/462673138.db2.gz NSNIWPXDAPEIHL-PFONDFGASA-N -1 0 347.390 2.458 50 0 EEAARM C[C@]1(C(=O)[O-])Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@@H]21 ZINC000006498561 462688582 /nfs/dbraw/zinc/68/85/82/462688582.db2.gz GKMFAZBTYIJNJF-XWRVAKJBSA-N -1 0 349.389 2.053 50 0 biogenic EEAARM O=c1nc(CSc2nnnn2C2CCCC2)[n-]c2ccsc21 ZINC000008013543 462762898 /nfs/dbraw/zinc/76/28/98/462762898.db2.gz QLCLQUMJKQVEDF-UHFFFAOYSA-N -1 0 334.430 2.379 50 0 EEAARM CC(=O)N[C@H](CC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000013091971 462884653 /nfs/dbraw/zinc/88/46/53/462884653.db2.gz QTULYXYKUPBSIJ-QGZVFWFLSA-N -1 0 340.379 2.269 50 0 EEAARM C[C@](CC(=O)Nc1sccc1C(N)=O)(C(=O)[O-])c1ccccc1 ZINC000013255798 462888016 /nfs/dbraw/zinc/88/80/16/462888016.db2.gz IIZQYQIWVJSXKB-MRXNPFEDSA-N -1 0 332.381 2.218 50 0 EEAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCCCOCC(C)C)c1C ZINC000013248274 462888202 /nfs/dbraw/zinc/88/82/02/462888202.db2.gz BRXKKZLXEJPHDV-UHFFFAOYSA-N -1 0 343.445 2.343 50 0 EEAARM Cc1ccnc([N-]S(=O)(=O)c2cc3c(cc2C)N(C)CCO3)c1 ZINC000015677376 462959606 /nfs/dbraw/zinc/95/96/06/462959606.db2.gz HKGDLQFJAZODNJ-UHFFFAOYSA-N -1 0 333.413 2.328 50 0 EEAARM COc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)[O-] ZINC000016623415 462984780 /nfs/dbraw/zinc/98/47/80/462984780.db2.gz OPXKJMFOJSNZME-UHFFFAOYSA-N -1 0 327.402 2.395 50 0 EEAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)N1CCCCC1 ZINC000018161637 463007773 /nfs/dbraw/zinc/00/77/73/463007773.db2.gz OZYZMBBOYDRHNP-UHFFFAOYSA-N -1 0 345.424 2.043 50 0 EEAARM O=C([O-])C1(NC(=O)COc2ccc(Cl)cc2Cl)CCOCC1 ZINC000095520398 463102022 /nfs/dbraw/zinc/10/20/22/463102022.db2.gz ANHFXRUWSWNCMA-UHFFFAOYSA-N -1 0 348.182 2.122 50 0 EEAARM CCONC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000024924455 463102465 /nfs/dbraw/zinc/10/24/65/463102465.db2.gz HQIJWTGAFTVSTM-UHFFFAOYSA-N -1 0 338.360 2.308 50 0 EEAARM NC(=O)c1ccc(NC(=O)c2c[n-]c3cc(F)cc(F)c3c2=O)cc1 ZINC000032606791 463383402 /nfs/dbraw/zinc/38/34/02/463383402.db2.gz XGPPSDCAXKUTFA-UHFFFAOYSA-N -1 0 343.289 2.158 50 0 EEAARM CN(C)C(=O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cc1Cl ZINC000071284899 463413411 /nfs/dbraw/zinc/41/34/11/463413411.db2.gz JZRUGAQDTRHTAR-NWDGAFQWSA-N -1 0 338.791 2.337 50 0 EEAARM CCc1nc2[n-]c(C)nn2c(=O)c1NC(=O)Nc1cccc(F)c1 ZINC000033266191 463420067 /nfs/dbraw/zinc/42/00/67/463420067.db2.gz CSEIXPVRRFWHHE-UHFFFAOYSA-N -1 0 330.323 2.484 50 0 EEAARM CC(C)(C)c1ccc(C(=O)N2CC[C@H](N3C(=O)COC3=O)C2)cc1 ZINC000225702440 464180397 /nfs/dbraw/zinc/18/03/97/464180397.db2.gz ANMLMRROLGJVNV-AWEZNQCLSA-N -1 0 330.384 2.177 50 0 EEAARM CCCCNC(=O)CN(C)[C@H](C(=O)[O-])c1ccc(OC(C)C)cc1 ZINC000055307988 214304350 /nfs/dbraw/zinc/30/43/50/214304350.db2.gz FTLMFRYUFZQVBN-KRWDZBQOSA-N -1 0 336.432 2.448 50 0 EEAARM CC(=O)c1cccc(NC(=O)[C@H](CC(=O)[O-])NCc2ccco2)c1 ZINC000004616135 210232373 /nfs/dbraw/zinc/23/23/73/210232373.db2.gz WJULIQZWNJUGJK-HNNXBMFYSA-N -1 0 330.340 2.054 50 0 EEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(F)cc4)c=3c2=O)cc1 ZINC000101277694 219121433 /nfs/dbraw/zinc/12/14/33/219121433.db2.gz WSDNPWSMLLCCFH-GJZGRUSLSA-N -1 0 340.314 2.332 50 0 EEAARM COc1cc2c(cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])n2C)c(OC)c1 ZINC000004000229 210098388 /nfs/dbraw/zinc/09/83/88/210098388.db2.gz FGUWQTGFAZUZGB-ZDUSSCGKSA-N -1 0 348.399 2.425 50 0 biogenic EEAARM O=C([O-])CSc1nc(C(F)(F)F)cc(=O)n1-c1ccccc1 ZINC000004650734 304072992 /nfs/dbraw/zinc/07/29/92/304072992.db2.gz DAJKMLLUNJAJKW-UHFFFAOYSA-N -1 0 330.287 2.428 50 0 EEAARM CCCc1cc(N2CCC(C(=O)[O-])(n3ccnc3)CC2)nc(C)n1 ZINC000072479129 216258160 /nfs/dbraw/zinc/25/81/60/216258160.db2.gz HBJYGIBXLBCETN-UHFFFAOYSA-N -1 0 329.404 2.014 50 0 EEAARM CCCCNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000013074370 211519128 /nfs/dbraw/zinc/51/91/28/211519128.db2.gz GPKLOEIGXFTJSK-UHFFFAOYSA-N -1 0 336.207 2.226 50 0 EEAARM O=C([N-]S(=O)(=O)Nc1ccc(F)cc1)c1c[nH]c2ccccc12 ZINC000012859872 211470956 /nfs/dbraw/zinc/47/09/56/211470956.db2.gz YPVWCDVHQSJSQF-UHFFFAOYSA-N -1 0 333.344 2.394 50 0 EEAARM O=C([O-])[C@@H]1CN(C(=O)Cn2cnc3ccccc32)C[C@H]1c1ccccc1 ZINC000091350619 217996362 /nfs/dbraw/zinc/99/63/62/217996362.db2.gz LKHAGEKWNSUHBY-JKSUJKDBSA-N -1 0 349.390 2.363 50 0 EEAARM Cc1n[nH]c(CCC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1C ZINC000091518949 218016186 /nfs/dbraw/zinc/01/61/86/218016186.db2.gz NXWAXFAISFIPCF-JKSUJKDBSA-N -1 0 341.411 2.286 50 0 EEAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(C)cc2)C1 ZINC000092038035 218107766 /nfs/dbraw/zinc/10/77/66/218107766.db2.gz DLQABGZBOLNIOT-GOSISDBHSA-N -1 0 334.416 2.408 50 0 EEAARM O=C([O-])c1cccnc1N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077472503 304272187 /nfs/dbraw/zinc/27/21/87/304272187.db2.gz BWXLFMVJPLFLPH-IBGZPJMESA-N -1 0 343.427 2.399 50 0 EEAARM Cc1ccc(-n2cc3ncnc(N4CCC(C(=O)[O-])CC4)c3n2)cc1 ZINC000032919121 292037184 /nfs/dbraw/zinc/03/71/84/292037184.db2.gz FWALEEVFRWZLLT-UHFFFAOYSA-N -1 0 337.383 2.425 50 0 EEAARM COc1cccc([C@@H]2CN(C(=O)C3CCC3)C[C@H]2C(=O)[O-])c1OC ZINC000091616760 295316281 /nfs/dbraw/zinc/31/62/81/295316281.db2.gz HNWHCWYCMQURJR-UONOGXRCSA-N -1 0 333.384 2.131 50 0 EEAARM Cc1c([N-]S(=O)(=O)c2ccc(Br)cc2)cnn1C ZINC000006502347 300981102 /nfs/dbraw/zinc/98/11/02/300981102.db2.gz ASAFYUOOEIFTBG-UHFFFAOYSA-N -1 0 330.207 2.292 50 0 EEAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCc1cccnc1 ZINC000000425379 462561838 /nfs/dbraw/zinc/56/18/38/462561838.db2.gz RBVHYTGVPWXTPQ-UHFFFAOYSA-N -1 0 340.408 2.161 50 0 EEAARM O=C([O-])CCc1nn2c3ccccc3n(Cc3ccccc3)c2nc1=O ZINC000002479297 462593890 /nfs/dbraw/zinc/59/38/90/462593890.db2.gz ZBYCXZYQHUYERO-UHFFFAOYSA-N -1 0 348.362 2.110 50 0 EEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccn(Cc2cccc(F)c2)n1 ZINC000002804843 462604668 /nfs/dbraw/zinc/60/46/68/462604668.db2.gz CQYAJTMRKMUERU-UHFFFAOYSA-N -1 0 349.391 2.211 50 0 EEAARM C[C@H](O)CNc1c(C(=O)[O-])cnc2ccc(Br)cc21 ZINC000005610150 462663858 /nfs/dbraw/zinc/66/38/58/462663858.db2.gz DHHJCPTWESKJBI-ZETCQYMHSA-N -1 0 325.162 2.488 50 0 EEAARM Cc1cc(C)cc(NC(=S)N[N-]S(=O)(=O)c2ccccc2)c1 ZINC000006571469 462691214 /nfs/dbraw/zinc/69/12/14/462691214.db2.gz GGGLLHUKVGONJG-UHFFFAOYSA-N -1 0 335.454 2.483 50 0 EEAARM CCn1cc(S(=O)(=O)[N-]c2nc3ccc(OC)cc3s2)cn1 ZINC000006706707 462699154 /nfs/dbraw/zinc/69/91/54/462699154.db2.gz ZZVFQPMAZJVPGG-UHFFFAOYSA-N -1 0 338.414 2.322 50 0 EEAARM O=C([O-])Cc1ccc(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000006831314 462707797 /nfs/dbraw/zinc/70/77/97/462707797.db2.gz JMAFVDAXNDFWNY-HNNXBMFYSA-N -1 0 342.326 2.197 50 0 EEAARM Cc1oc2ncn(CCOc3ccccc3C)c(=O)c2c1C(=O)[O-] ZINC000013056551 462883257 /nfs/dbraw/zinc/88/32/57/462883257.db2.gz LPZQCGRCWJAMCV-UHFFFAOYSA-N -1 0 328.324 2.384 50 0 EEAARM COc1ccccc1NC(=O)CSC1=NC(=O)C(C(C)C)C([O-])=N1 ZINC000013957221 462906136 /nfs/dbraw/zinc/90/61/36/462906136.db2.gz RRRHGOKTTURESG-UHFFFAOYSA-N -1 0 349.412 2.338 50 0 EEAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000017068311 462993710 /nfs/dbraw/zinc/99/37/10/462993710.db2.gz QXGUCBMZUXIMMV-HZPDHXFCSA-N -1 0 332.400 2.353 50 0 EEAARM CCS(=O)(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)[O-])c1 ZINC000032962063 463404484 /nfs/dbraw/zinc/40/44/84/463404484.db2.gz MPQPUVGYTUGPKT-UHFFFAOYSA-N -1 0 326.418 2.383 50 0 EEAARM O=C(c1ccc([O-])c(Cl)c1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000071279009 463412533 /nfs/dbraw/zinc/41/25/33/463412533.db2.gz NUZVXTZUCJOUGX-CQSZACIVSA-N -1 0 338.835 2.373 50 0 EEAARM CC[C@@H](C(=O)Nc1ccc(C)cc1)N1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC000244724170 464461673 /nfs/dbraw/zinc/46/16/73/464461673.db2.gz MPABUNYUJFWAQI-HNNXBMFYSA-N -1 0 342.399 2.192 50 0 EEAARM Cc1[nH]nc2nc(C=Cc3cn(C(C)(C)C)nn3)cc(C(=O)[O-])c12 ZINC000585136173 468987436 /nfs/dbraw/zinc/98/74/36/468987436.db2.gz URNNOIGLOVHVAZ-AATRIKPKSA-N -1 0 326.360 2.481 50 0 EEAARM CN(CCC(=O)[O-])C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000630137665 469734099 /nfs/dbraw/zinc/73/40/99/469734099.db2.gz VOTKEWYFKRDLFZ-ZLKJLUDKSA-N -1 0 338.201 2.268 50 0 EEAARM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(-c2cccc(F)c2)cc1 ZINC000952970270 796102167 /nfs/dbraw/zinc/10/21/67/796102167.db2.gz LXJHIGCWQQXOLP-CVEARBPZSA-N -1 0 329.327 2.153 50 0 EEAARM CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001506429612 1114605069 /nfs/dbraw/zinc/60/50/69/1114605069.db2.gz VVRMRWONUBDNKI-NSHDSACASA-N -1 0 347.820 2.285 50 0 EEAARM COc1ccc([C@H](C(=O)[O-])N2CCN(C(=O)CC(C)C)CC2)cc1 ZINC001529168029 1121350353 /nfs/dbraw/zinc/35/03/53/1121350353.db2.gz VVKLLWPVBIKAKK-QGZVFWFLSA-N -1 0 334.416 2.011 50 0 EEAARM Cc1cc(C)n(CCCN(C)C(=O)c2cccc(NCC(=O)[O-])c2)n1 ZINC000055107806 214273904 /nfs/dbraw/zinc/27/39/04/214273904.db2.gz WTKNFSXBJMBZOJ-UHFFFAOYSA-N -1 0 344.415 2.159 50 0 EEAARM CCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2cnc(C)nc2C)cc1 ZINC000004599640 210230873 /nfs/dbraw/zinc/23/08/73/210230873.db2.gz HEVNNGKJFZFRDE-UHFFFAOYSA-N -1 0 349.416 2.036 50 0 EEAARM CCOc1cc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)ccc1OC(C)C ZINC000101347927 219123478 /nfs/dbraw/zinc/12/34/78/219123478.db2.gz UXEGAIFTVYECJQ-CYBMUJFWSA-N -1 0 344.371 2.447 50 0 EEAARM COc1ccc2c(ccn2CCC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000040286347 213287780 /nfs/dbraw/zinc/28/77/80/213287780.db2.gz XCUKVNIHOXFBIU-CQSZACIVSA-N -1 0 330.384 2.363 50 0 EEAARM COc1ccc(C[C@H](CNC(=O)OC(C)(C)C)C(=O)[O-])cc1OC ZINC000039959764 213245939 /nfs/dbraw/zinc/24/59/39/213245939.db2.gz UGEBZNZKJMHIFD-GFCCVEGCSA-N -1 0 339.388 2.472 50 0 EEAARM CC(=O)c1cn(CC(=O)N2CCC(C(=O)[O-])CC2)c2ccccc12 ZINC000036360308 213089934 /nfs/dbraw/zinc/08/99/34/213089934.db2.gz LEWQDDQQUNSUFU-UHFFFAOYSA-N -1 0 328.368 2.167 50 0 EEAARM O=C([O-])COc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000244619977 304070323 /nfs/dbraw/zinc/07/03/23/304070323.db2.gz FJPFWHLJSXUOKC-GFCCVEGCSA-N -1 0 327.764 2.243 50 0 EEAARM C[C@H](O)[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000035277858 213016973 /nfs/dbraw/zinc/01/69/73/213016973.db2.gz DDAOPVLYHVGTPJ-VBNZEHGJSA-N -1 0 345.420 2.470 50 0 EEAARM Cc1occc1C(=O)N1CCC(Oc2ccc(C)nc2)(C(=O)[O-])CC1 ZINC000072420351 216209271 /nfs/dbraw/zinc/20/92/71/216209271.db2.gz KDLSOVQXMUJXAS-UHFFFAOYSA-N -1 0 344.367 2.430 50 0 EEAARM CC(C)(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)c3ccoc3)CC2)n1 ZINC000072438098 216231970 /nfs/dbraw/zinc/23/19/70/216231970.db2.gz NVVXUHSKXWFCAG-UHFFFAOYSA-N -1 0 345.399 2.490 50 0 EEAARM Cc1nccn1C1(C(=O)[O-])CCN(C(=O)CCc2cccs2)CC1 ZINC000072457854 216244560 /nfs/dbraw/zinc/24/45/60/216244560.db2.gz PMMWBOTUTTYEKZ-UHFFFAOYSA-N -1 0 347.440 2.288 50 0 EEAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000021883874 212258633 /nfs/dbraw/zinc/25/86/33/212258633.db2.gz MCVVBQHYGJSBFX-UHFFFAOYSA-N -1 0 329.765 2.041 50 0 EEAARM Cc1ccccc1[C@H](C(=O)NCCc1nc(C(=O)[O-])cs1)N(C)C ZINC000221317318 241463562 /nfs/dbraw/zinc/46/35/62/241463562.db2.gz HULCKRYKDVFSJQ-OAHLLOKOSA-N -1 0 347.440 2.111 50 0 EEAARM CC1CCC(NC(=O)CCC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000021661311 212238769 /nfs/dbraw/zinc/23/87/69/212238769.db2.gz LCZLIOHVIVMFFB-UHFFFAOYSA-N -1 0 349.456 2.484 50 0 EEAARM COc1ccc([C@H]2CC(=O)c3cc(C(=O)[O-])c(=O)[nH]c3C2)cc1OC ZINC000020739316 212167951 /nfs/dbraw/zinc/16/79/51/212167951.db2.gz HUNVJMRFLAEVPL-SNVBAGLBSA-N -1 0 343.335 2.003 50 0 EEAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2Br)c[nH]1 ZINC000020213469 212111972 /nfs/dbraw/zinc/11/19/72/212111972.db2.gz XZEFKVXELHIAIL-UHFFFAOYSA-N -1 0 345.174 2.276 50 0 EEAARM Cc1ccc(CNC(=O)CCC2=Nc3ccccc3S(=O)(=O)[N-]2)o1 ZINC000012415298 211373206 /nfs/dbraw/zinc/37/32/06/211373206.db2.gz HVHFNHHXELJQTB-UHFFFAOYSA-N -1 0 347.396 2.007 50 0 EEAARM O=C([N-]n1cnc2c(cnn2-c2ccccc2)c1=O)c1ccccc1F ZINC000010251149 211157028 /nfs/dbraw/zinc/15/70/28/211157028.db2.gz OGLOLOHAIGXFRZ-UHFFFAOYSA-N -1 0 349.325 2.105 50 0 EEAARM CN1C(=O)Cc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc21 ZINC000009572717 211102568 /nfs/dbraw/zinc/10/25/68/211102568.db2.gz DTHQXQNKUOQGIV-UHFFFAOYSA-N -1 0 338.335 2.285 50 0 EEAARM O=C([O-])C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O ZINC000299768719 258082914 /nfs/dbraw/zinc/08/29/14/258082914.db2.gz YXMHQMXQGPMYAT-HNNXBMFYSA-N -1 0 341.285 2.339 50 0 EEAARM O=C([O-])c1csc(CNC(=O)[C@@H]2SCCc3ccccc32)n1 ZINC000124238865 222397434 /nfs/dbraw/zinc/39/74/34/222397434.db2.gz OSEHNAGHANCXPZ-CYBMUJFWSA-N -1 0 334.422 2.488 50 0 EEAARM CC(C)(C)OC(=O)N1CC[C@H]([N-]C(=O)C(F)(F)F)C(F)(F)C1 ZINC000169804909 278410342 /nfs/dbraw/zinc/41/03/42/278410342.db2.gz NURAMIQONNYDQP-ZETCQYMHSA-N -1 0 332.269 2.310 50 0 EEAARM Cc1nc2sc([C@@H](c3ccccc3)N3CCOCC3)c([O-])n2n1 ZINC000023156798 302685645 /nfs/dbraw/zinc/68/56/45/302685645.db2.gz HDMZHANPUCUPNW-CYBMUJFWSA-N -1 0 330.413 2.226 50 0 EEAARM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC000002527339 462594858 /nfs/dbraw/zinc/59/48/58/462594858.db2.gz XNEYUEWSPCASNM-LBPRGKRZSA-N -1 0 326.418 2.427 50 0 EEAARM O=C(OCc1ccccc1)[C@H](Cc1ccccc1)CS(=O)(=O)[O-] ZINC000085210231 463641412 /nfs/dbraw/zinc/64/14/12/463641412.db2.gz KIYZPJHLNAVLDD-MRXNPFEDSA-N -1 0 334.393 2.477 50 0 EEAARM CCN(CC)C(=O)CSc1nc([O-])c(C)c(=O)n1-c1ccccc1 ZINC000000505548 462567940 /nfs/dbraw/zinc/56/79/40/462567940.db2.gz BOCDIXLIJKAQJS-UHFFFAOYSA-N -1 0 347.440 2.207 50 0 EEAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)NCCCC(=O)[O-])cc2oc1=O ZINC000002154707 462589945 /nfs/dbraw/zinc/58/99/45/462589945.db2.gz HSMWYUIMHNQKPN-GFCCVEGCSA-N -1 0 347.367 2.158 50 0 biogenic EEAARM CCCC[C@@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)[O-] ZINC000002152699 462590587 /nfs/dbraw/zinc/59/05/87/462590587.db2.gz HHWQDSTZFKGLTQ-CQSZACIVSA-N -1 0 347.367 2.109 50 0 biogenic EEAARM Cc1oc2ncn(CCOc3ccc(C)cc3)c(=O)c2c1C(=O)[O-] ZINC000013056547 462883301 /nfs/dbraw/zinc/88/33/01/462883301.db2.gz HQIIIWURSQXDRG-UHFFFAOYSA-N -1 0 328.324 2.384 50 0 EEAARM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccn1 ZINC000013072064 462883695 /nfs/dbraw/zinc/88/36/95/462883695.db2.gz OKESFGYCIJPRCM-VIFPVBQESA-N -1 0 340.788 2.473 50 0 EEAARM CCc1nccn1CCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000091745756 462903698 /nfs/dbraw/zinc/90/36/98/462903698.db2.gz JZYRSQPPNKDZAN-JKSUJKDBSA-N -1 0 341.411 2.162 50 0 EEAARM CCOc1cc(/C=C2\SC(=O)N(CCC(=O)[O-])C2=O)ccc1O ZINC000013776834 462903895 /nfs/dbraw/zinc/90/38/95/462903895.db2.gz GXJJFITTYZBTOF-WQLSENKSSA-N -1 0 337.353 2.302 50 0 EEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CCc1ccccc1O ZINC000014161484 462914543 /nfs/dbraw/zinc/91/45/43/462914543.db2.gz QXNSDKHFIQVVHO-UHFFFAOYSA-N -1 0 343.408 2.281 50 0 EEAARM CCc1nc2sc([C@H](c3ccccc3)N3CCOCC3)c([O-])n2n1 ZINC000022854168 463057092 /nfs/dbraw/zinc/05/70/92/463057092.db2.gz ICJMMEUHDFIYHK-AWEZNQCLSA-N -1 0 344.440 2.480 50 0 EEAARM CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000030521727 463301226 /nfs/dbraw/zinc/30/12/26/463301226.db2.gz LCQUGUJRGDCLAI-QWHCGFSZSA-N -1 0 330.384 2.430 50 0 EEAARM O=C([O-])c1cc(-c2ccncc2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000071707849 463418951 /nfs/dbraw/zinc/41/89/51/463418951.db2.gz MXWSLLUIHOZGDT-UHFFFAOYSA-N -1 0 332.381 2.231 50 0 EEAARM CC(C)C[C@@H](NC(=O)CCc1nc(-c2ccc(F)cc2)no1)C(=O)[O-] ZINC000041155330 463471091 /nfs/dbraw/zinc/47/10/91/463471091.db2.gz KYLXKZYYPNTYMF-CYBMUJFWSA-N -1 0 349.362 2.424 50 0 EEAARM Cc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCOCC2)o1 ZINC000041635391 463499320 /nfs/dbraw/zinc/49/93/20/463499320.db2.gz AMDBKDAGVCJUKM-GFCCVEGCSA-N -1 0 334.401 2.128 50 0 EEAARM COc1cc(OC)c(CN(C)Cc2cn(C)nc2C)c(C(=O)[O-])c1 ZINC000097757992 219054444 /nfs/dbraw/zinc/05/44/44/219054444.db2.gz DBFWPUOIOKLSEE-UHFFFAOYSA-N -1 0 333.388 2.076 50 0 EEAARM CCCc1cc(=O)n2nc(-c3cc(OC)c(OC)c(OC)c3)[n-]c2n1 ZINC000101361025 219123995 /nfs/dbraw/zinc/12/39/95/219123995.db2.gz RMLQYMDBIAHOEY-UHFFFAOYSA-N -1 0 344.371 2.063 50 0 EEAARM CC[C@H](C)NC(=O)CSc1nc(O)cc(=O)n1C1CCCC1 ZINC000102032647 219181367 /nfs/dbraw/zinc/18/13/67/219181367.db2.gz VRMWNCYCCGIHQW-JTQLQIEISA-N -1 0 325.434 2.071 50 0 EEAARM CC(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000003887426 210085113 /nfs/dbraw/zinc/08/51/13/210085113.db2.gz QRPXJCCPDGPZFH-VIFPVBQESA-N -1 0 326.201 2.381 50 0 EEAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1cc(C)oc1C ZINC000003464303 210046998 /nfs/dbraw/zinc/04/69/98/210046998.db2.gz AQFUGBQEPCFZDY-UHFFFAOYSA-N -1 0 331.324 2.018 50 0 EEAARM C[N@@H+]1CCC[C@@H](c2nnc(SCC(=O)[O-])n2-c2ccccc2)C1 ZINC000067966142 215261550 /nfs/dbraw/zinc/26/15/50/215261550.db2.gz BSYPQDRUIYYLQS-GFCCVEGCSA-N -1 0 332.429 2.253 50 0 EEAARM Cn1c(C(=O)N2CCOC[C@@H]2CC(=O)[O-])ccc1-c1ccccc1 ZINC000072411681 216203869 /nfs/dbraw/zinc/20/38/69/216203869.db2.gz YYZPKEWQRXKCAE-AWEZNQCLSA-N -1 0 328.368 2.008 50 0 EEAARM O=C([O-])c1cccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)c1 ZINC000000083080 209408186 /nfs/dbraw/zinc/40/81/86/209408186.db2.gz KDMRNPQJYWJSJR-CQSZACIVSA-N -1 0 325.324 2.146 50 0 EEAARM O=C([O-])C1(n2cccn2)CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000072435435 216229831 /nfs/dbraw/zinc/22/98/31/216229831.db2.gz VMJLHKJFISHZJA-UHFFFAOYSA-N -1 0 339.351 2.345 50 0 EEAARM COc1cc(N2CCC(Oc3cccc(F)c3)(C(=O)[O-])CC2)ncn1 ZINC000072475906 216253396 /nfs/dbraw/zinc/25/33/96/216253396.db2.gz FMJYCXOJIGJRJA-UHFFFAOYSA-N -1 0 347.346 2.127 50 0 EEAARM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000120182071 304101304 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CCOc1cccc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)c1 ZINC000105768723 1204894150 /nfs/dbraw/zinc/89/41/50/1204894150.db2.gz JUKYQOLLZCXJTD-UHFFFAOYSA-N -1 0 346.408 2.123 50 0 EEAARM COc1cc(CN2CCO[C@@H](C(=O)[O-])C2)ccc1OCC=C(C)C ZINC000824609397 800282196 /nfs/dbraw/zinc/28/21/96/800282196.db2.gz BCNIGZONBHJSRI-QGZVFWFLSA-N -1 0 335.400 2.326 50 0 EEAARM Cc1cc(C(F)(F)F)n(C[C@H](C)CNc2ccc(C(=O)[O-])nn2)n1 ZINC001506408530 1114598266 /nfs/dbraw/zinc/59/82/66/1114598266.db2.gz SYTKANONDIBCLN-MRVPVSSYSA-N -1 0 343.309 2.447 50 0 EEAARM CSc1ncc(C(=O)[O-])c(N(C)CCCc2c(C)n[nH]c2C)n1 ZINC001529133669 1121333365 /nfs/dbraw/zinc/33/33/65/1121333365.db2.gz BTQLGDSZXVICBL-UHFFFAOYSA-N -1 0 335.433 2.306 50 0 EEAARM Cc1cc(C)cc(OCC(=O)Nc2cnn(CCCC(=O)[O-])c2)c1 ZINC000004694864 210250662 /nfs/dbraw/zinc/25/06/62/210250662.db2.gz IYOMNPFLXZJCPR-UHFFFAOYSA-N -1 0 331.372 2.382 50 0 EEAARM CN(Cc1[nH]nc2c1CCCC2)C(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055100339 214274012 /nfs/dbraw/zinc/27/40/12/214274012.db2.gz 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ZINC000036966241 213127382 /nfs/dbraw/zinc/12/73/82/213127382.db2.gz NHASMYWUWGQGLK-LBPRGKRZSA-N -1 0 326.190 2.457 50 0 EEAARM Cc1nn(CCNC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C)c1Cl ZINC000035670961 213044970 /nfs/dbraw/zinc/04/49/70/213044970.db2.gz DCUSHWYLVZRYTQ-VXGBXAGGSA-N -1 0 327.812 2.161 50 0 EEAARM CCCCN(CC)c1ncc(NS(=O)(=O)CC)cc1C(=O)[O-] ZINC000035397485 213026301 /nfs/dbraw/zinc/02/63/01/213026301.db2.gz GHLIBRMLIGXDQA-UHFFFAOYSA-N -1 0 329.422 2.168 50 0 EEAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)CCCc2cccs2)CC1 ZINC000072473779 216251509 /nfs/dbraw/zinc/25/15/09/216251509.db2.gz BIBHPISECLOIOR-UHFFFAOYSA-N -1 0 347.440 2.370 50 0 EEAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccccc1Br ZINC000013263211 304106559 /nfs/dbraw/zinc/10/65/59/304106559.db2.gz SZCUIHXJBLXYNB-JTQLQIEISA-N -1 0 348.218 2.077 50 0 EEAARM C[C@@H](Oc1ccccc1CN1CCN(c2cccnc2)CC1)C(=O)[O-] ZINC000215119571 241107109 /nfs/dbraw/zinc/10/71/09/241107109.db2.gz MYHNDRIFHUEZPR-OAHLLOKOSA-N -1 0 341.411 2.256 50 0 EEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)n[nH]1 ZINC000021096467 212205719 /nfs/dbraw/zinc/20/57/19/212205719.db2.gz MPCGSFURBQNADA-UHFFFAOYSA-N -1 0 343.792 2.349 50 0 EEAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)c1csc2c1CCCC2 ZINC000096179595 304205384 /nfs/dbraw/zinc/20/53/84/304205384.db2.gz UUNFSAWXOGKCEN-CYBMUJFWSA-N -1 0 331.397 2.002 50 0 EEAARM O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc21)N1CCOCC1 ZINC000012322649 211346125 /nfs/dbraw/zinc/34/61/25/211346125.db2.gz TXCAAVPEJIAFRZ-ZDUSSCGKSA-N -1 0 339.189 2.388 50 0 EEAARM CCn1c(C)cc(C)c(C(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)c1=O ZINC000091680160 218046941 /nfs/dbraw/zinc/04/69/41/218046941.db2.gz MUSVURBYIOUPEW-GOSISDBHSA-N -1 0 334.416 2.202 50 0 EEAARM O=C([O-])[C@@H]1CN(c2nc3ccccc3cc2CO)C[C@H]1c1ccncc1 ZINC000091665816 218044323 /nfs/dbraw/zinc/04/43/23/218044323.db2.gz SSYXTVKKDPRLPS-DLBZAZTESA-N -1 0 349.390 2.427 50 0 EEAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000008191072 210909623 /nfs/dbraw/zinc/90/96/23/210909623.db2.gz VVFXTAZGXZSMAN-UHFFFAOYSA-N -1 0 347.392 2.490 50 0 EEAARM COC(=O)C[C@@H](c1ccccc1F)c1c([O-])nc2ccccn2c1=O ZINC000096118191 218611201 /nfs/dbraw/zinc/61/12/01/218611201.db2.gz WAWGOJZZFLKXRB-LBPRGKRZSA-N -1 0 342.326 2.234 50 0 EEAARM O=C([O-])c1cncc(Br)c1I ZINC000071255411 304279588 /nfs/dbraw/zinc/27/95/88/304279588.db2.gz DDILUXVGWWORKX-UHFFFAOYSA-N -1 0 327.903 2.147 50 0 EEAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])CC(=O)OCc1ccccc1 ZINC000002541681 258049847 /nfs/dbraw/zinc/04/98/47/258049847.db2.gz FAFJSSKTLCNWRJ-ZDUSSCGKSA-N -1 0 337.372 2.488 50 0 EEAARM O=C([O-])c1csc(CNC(=O)[C@H]2SCCc3ccccc32)n1 ZINC000124238678 222397324 /nfs/dbraw/zinc/39/73/24/222397324.db2.gz OSEHNAGHANCXPZ-ZDUSSCGKSA-N -1 0 334.422 2.488 50 0 EEAARM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC000004241878 278399907 /nfs/dbraw/zinc/39/99/07/278399907.db2.gz XNEYUEWSPCASNM-GFCCVEGCSA-N -1 0 326.418 2.427 50 0 EEAARM Cc1nc2[n-]c(NC(=O)c3ccc(Cl)cc3)nn2c(=O)c1Cl ZINC000100486548 278577039 /nfs/dbraw/zinc/57/70/39/278577039.db2.gz IYXPLQNUOLRBJP-UHFFFAOYSA-N -1 0 338.154 2.285 50 0 EEAARM COc1ccc(S(=O)(=O)[N-]c2nnc3ccccn32)cc1Cl ZINC000105565433 323323281 /nfs/dbraw/zinc/32/32/81/323323281.db2.gz JLSUGQIVZWKAEH-UHFFFAOYSA-N -1 0 338.776 2.192 50 0 EEAARM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccccc1 ZINC000000314882 462555078 /nfs/dbraw/zinc/55/50/78/462555078.db2.gz WXRDOYKQGTZUTF-CQSZACIVSA-N -1 0 339.800 2.314 50 0 EEAARM CCc1cc(=O)oc2c(C)c(OCC(=O)NCCCC(=O)[O-])ccc12 ZINC000002100522 462588987 /nfs/dbraw/zinc/58/89/87/462588987.db2.gz MNJVXVXJNGHGDT-UHFFFAOYSA-N -1 0 347.367 2.024 50 0 biogenic EEAARM COc1ccccc1CCNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000006730986 462701210 /nfs/dbraw/zinc/70/12/10/462701210.db2.gz QCJXMBWUGIQKNN-LCSXWQTCSA-N -1 0 331.412 2.491 50 0 EEAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(C)=O)cc1 ZINC000007323607 462730442 /nfs/dbraw/zinc/73/04/42/462730442.db2.gz PPTOSJRDCAUCHH-UHFFFAOYSA-N -1 0 333.365 2.477 50 0 EEAARM COc1cccc(-c2ncc(CN3C[C@@H](C(=O)[O-])CC3=O)s2)c1 ZINC000065506669 462784438 /nfs/dbraw/zinc/78/44/38/462784438.db2.gz MYPSXXXQWPBISG-NSHDSACASA-N -1 0 332.381 2.252 50 0 EEAARM COc1cccc(-c2cc(C(=O)[O-])cc(-n3cnnn3)c2)c1OC ZINC000118291984 462830542 /nfs/dbraw/zinc/83/05/42/462830542.db2.gz QXFODPRFGLDSTQ-UHFFFAOYSA-N -1 0 326.312 2.045 50 0 EEAARM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccn1 ZINC000013072062 462883585 /nfs/dbraw/zinc/88/35/85/462883585.db2.gz OKESFGYCIJPRCM-SECBINFHSA-N -1 0 340.788 2.473 50 0 EEAARM CS(=O)(=O)[N-]c1ccn(Cc2ccc(Br)cc2)n1 ZINC000014228388 462920964 /nfs/dbraw/zinc/92/09/64/462920964.db2.gz PPVSWJPGEKZCPC-UHFFFAOYSA-N -1 0 330.207 2.065 50 0 EEAARM COCCc1nc(CSc2ccc(Cl)cc2)n(CC(=O)[O-])n1 ZINC000096130879 463183836 /nfs/dbraw/zinc/18/38/36/463183836.db2.gz QYYXDXGWIPWPHJ-UHFFFAOYSA-N -1 0 341.820 2.497 50 0 EEAARM Cc1nn2c(nc1=O)-c1ccccc1N[C@@H]2c1ccc(C(=O)[O-])cc1 ZINC000069701093 463305292 /nfs/dbraw/zinc/30/52/92/463305292.db2.gz MIPMCZKYRQCVDS-HNNXBMFYSA-N -1 0 334.335 2.284 50 0 EEAARM CC1(C)[C@H](C(=O)Nc2cc(-n3cnnc3)ccc2Cl)[C@@H]1C(=O)[O-] ZINC000071284189 463412712 /nfs/dbraw/zinc/41/27/12/463412712.db2.gz OZKKTDRSRIRAHG-NWDGAFQWSA-N -1 0 334.763 2.216 50 0 EEAARM O=C(c1cc(=O)c2cccc(F)c2[n-]1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000071755047 463421987 /nfs/dbraw/zinc/42/19/87/463421987.db2.gz VELWZEBAZRMZNO-GFCCVEGCSA-N -1 0 344.264 2.483 50 0 EEAARM O=C(CCc1nnc(-c2ccccc2)[n-]c1=O)NCc1ccccc1 ZINC000034767625 463427934 /nfs/dbraw/zinc/42/79/34/463427934.db2.gz LBRZAJKMVITGQA-UHFFFAOYSA-N -1 0 334.379 2.493 50 0 EEAARM C[C@@]1(C(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)CCCO1 ZINC000072425685 463510832 /nfs/dbraw/zinc/51/08/32/463510832.db2.gz PVQNMOFZZIHQRF-KRWDZBQOSA-N -1 0 333.384 2.080 50 0 EEAARM COc1ccccc1OC1(C(=O)[O-])CCN(c2nccnc2C)CC1 ZINC000082108563 463515438 /nfs/dbraw/zinc/51/54/38/463515438.db2.gz JDZIPHKPNBRQCR-UHFFFAOYSA-N -1 0 343.383 2.296 50 0 EEAARM COCCS(=O)(=O)[N-]c1ncccc1OCC1CCCCC1 ZINC000110123492 463655961 /nfs/dbraw/zinc/65/59/61/463655961.db2.gz NBRBLPVOIFSKFD-UHFFFAOYSA-N -1 0 328.434 2.429 50 0 EEAARM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)CCCOc2ccccc2C)C1 ZINC000263191402 464059948 /nfs/dbraw/zinc/05/99/48/464059948.db2.gz XUJGYJJXZFLAJG-HUUCEWRRSA-N -1 0 335.400 2.245 50 0 EEAARM Cc1nc(CN(CC(=O)[O-])C(=O)[C@H](C)Oc2ccc(C)c(C)c2)c[nH]1 ZINC001772701634 1179284824 /nfs/dbraw/zinc/28/48/24/1179284824.db2.gz LSJBGGWBLHKCAY-ZDUSSCGKSA-N -1 0 345.399 2.216 50 0 EEAARM Cc1nc(CN(CC(=O)[O-])C(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c[nH]1 ZINC001772701629 1179284967 /nfs/dbraw/zinc/28/49/67/1179284967.db2.gz LSJBGGWBLHKCAY-CYBMUJFWSA-N -1 0 345.399 2.216 50 0 EEAARM Cc1cc2nc(CN3CCO[C@H](c4ccc(F)cc4)C3)cc(=O)n2[n-]1 ZINC000071735702 1253371493 /nfs/dbraw/zinc/37/14/93/1253371493.db2.gz ABXYHRXRGOHUMA-INIZCTEOSA-N -1 0 342.374 2.044 50 0 EEAARM N=c1nn[n-]n1CC(=O)N(CCC1=CCCCC1)Cc1ccccc1 ZINC000952969754 796100688 /nfs/dbraw/zinc/10/06/88/796100688.db2.gz GGLLXMWOTQTVSB-UHFFFAOYSA-N -1 0 340.431 2.005 50 0 EEAARM O=C([O-])C1CCN(C(=O)CCC(=O)NC2CCCCCCC2)CC1 ZINC000055118745 214275042 /nfs/dbraw/zinc/27/50/42/214275042.db2.gz PGHSTAGCTVBTPD-UHFFFAOYSA-N -1 0 338.448 2.319 50 0 EEAARM COc1ccc(-n2nnnc2C=CNc2ccccc2C(=O)[O-])cc1 ZINC000004336637 210174240 /nfs/dbraw/zinc/17/42/40/210174240.db2.gz ILATVFFGIIEPOR-ZHACJKMWSA-N -1 0 337.339 2.452 50 0 EEAARM CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)C(=O)[O-])ccc12 ZINC000004062895 210112475 /nfs/dbraw/zinc/11/24/75/210112475.db2.gz KXFVPZHFVAIONP-NSHDSACASA-N -1 0 347.367 2.104 50 0 biogenic EEAARM CCn1c(=O)c2ccc(C(=O)N[C@H](C)[C@@H]3CCCO3)cc2[n-]c1=S ZINC000102309711 219193845 /nfs/dbraw/zinc/19/38/45/219193845.db2.gz KLDJOFBHTXWMTN-YGRLFVJLSA-N -1 0 347.440 2.002 50 0 EEAARM CC(=O)Nc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000000527780 209648504 /nfs/dbraw/zinc/64/85/04/209648504.db2.gz XBWXDXTZHGYBGT-UHFFFAOYSA-N -1 0 328.324 2.361 50 0 EEAARM CCn1cc(Br)cc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000036856646 213124043 /nfs/dbraw/zinc/12/40/43/213124043.db2.gz WUZGJKCKCPIEON-SECBINFHSA-N -1 0 329.194 2.207 50 0 EEAARM CC(C)(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)N3CCCC3)CC2)n1 ZINC000072430153 216222331 /nfs/dbraw/zinc/22/23/31/216222331.db2.gz MYLKOWUNJMPYMD-UHFFFAOYSA-N -1 0 348.447 2.272 50 0 EEAARM O=C([O-])[C@@H]1CCCN1Cc1cc2c(cc1Br)OCCO2 ZINC000035302234 304114755 /nfs/dbraw/zinc/11/47/55/304114755.db2.gz HOJGBHGYOGLSBN-NSHDSACASA-N -1 0 342.189 2.269 50 0 EEAARM Cc1ncsc1CCCNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000215229092 241113903 /nfs/dbraw/zinc/11/39/03/241113903.db2.gz MYNVTGVZHATOFC-UHFFFAOYSA-N -1 0 342.424 2.293 50 0 EEAARM CC[C@@H](O)c1cc2n(n1)CCCN(c1nc(C)[n-]c(=O)c1Cl)C2 ZINC000219495325 241391350 /nfs/dbraw/zinc/39/13/50/241391350.db2.gz USIRSZWQWCUYPJ-GFCCVEGCSA-N -1 0 337.811 2.194 50 0 EEAARM O=c1ccc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)s2)n[nH]1 ZINC000021531534 212230371 /nfs/dbraw/zinc/23/03/71/212230371.db2.gz ZKECRZIRCBWEDR-UHFFFAOYSA-N -1 0 333.394 2.299 50 0 EEAARM Cc1cc(C)n(-c2ccccc2NC(=O)c2c(C(=O)[O-])cnn2C)n1 ZINC000020615317 212155702 /nfs/dbraw/zinc/15/57/02/212155702.db2.gz CUXPDKSPEACTTE-UHFFFAOYSA-N -1 0 339.355 2.173 50 0 EEAARM Cn1cc(C(=O)[O-])c(C(=O)NCc2ccc(Cl)c(Cl)c2)n1 ZINC000020614538 212155016 /nfs/dbraw/zinc/15/50/16/212155016.db2.gz RALCPGIXMVBVST-UHFFFAOYSA-N -1 0 328.155 2.355 50 0 EEAARM Cc1ncn(CC(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)c1C ZINC000091425444 218003864 /nfs/dbraw/zinc/00/38/64/218003864.db2.gz PLKNMLZEHRSCSG-DLBZAZTESA-N -1 0 341.411 2.135 50 0 EEAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2ccccc2)C1 ZINC000091548145 218020365 /nfs/dbraw/zinc/02/03/65/218020365.db2.gz GROFIYOLHOOYJT-SFHVURJKSA-N -1 0 334.416 2.490 50 0 EEAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1nc(C)cs1 ZINC000011615691 211226591 /nfs/dbraw/zinc/22/65/91/211226591.db2.gz SGSPAYQXXWUIFQ-UHFFFAOYSA-N -1 0 341.414 2.219 50 0 EEAARM CCCc1nnc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)s1 ZINC000011615570 211226347 /nfs/dbraw/zinc/22/63/47/211226347.db2.gz JFXCVJGKTUWCDE-UHFFFAOYSA-N -1 0 341.414 2.063 50 0 EEAARM CCn1cc(-c2c(-c3ccccc3)ncn2[C@H](CO)C(=O)[O-])cn1 ZINC000091873178 218081851 /nfs/dbraw/zinc/08/18/51/218081851.db2.gz PMCPJKYRGQUZAY-CQSZACIVSA-N -1 0 326.356 2.052 50 0 EEAARM CNc1ncc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cn1 ZINC000095380641 218312222 /nfs/dbraw/zinc/31/22/22/218312222.db2.gz LHCPNBYJVAJDOF-CQSZACIVSA-N -1 0 340.383 2.236 50 0 EEAARM O=C(C[C@H]1OCCc2ccccc21)[N-]S(=O)(=O)C1CCCCC1 ZINC000115910378 220920928 /nfs/dbraw/zinc/92/09/28/220920928.db2.gz DOKDLGNUDWIQKN-MRXNPFEDSA-N -1 0 337.441 2.469 50 0 EEAARM CN(Cc1cnc2ccccn12)Cc1nc(=O)c2sccc2[n-]1 ZINC000131847445 292394165 /nfs/dbraw/zinc/39/41/65/292394165.db2.gz TWSMVHRGBWTQTI-UHFFFAOYSA-N -1 0 325.397 2.264 50 0 EEAARM COc1ccc2[nH]cc(CC(=O)NCc3nc(C(=O)[O-])cs3)c2c1 ZINC000124277355 222403092 /nfs/dbraw/zinc/40/30/92/222403092.db2.gz YTJFPJXIXFWFBG-UHFFFAOYSA-N -1 0 345.380 2.190 50 0 EEAARM Cc1n[nH]c(C)c1[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000067649870 302521760 /nfs/dbraw/zinc/52/17/60/302521760.db2.gz QZVIGYJQYVMUNS-ZJZJNUNYSA-N -1 0 346.431 2.420 50 0 EEAARM O=C([O-])/C=C/C(=O)Nc1ccc(NC(=O)c2ccccc2O)cc1 ZINC000000072711 462541004 /nfs/dbraw/zinc/54/10/04/462541004.db2.gz DCCRXDXCVIHICD-MDZDMXLPSA-N -1 0 326.308 2.224 50 0 EEAARM C[C@@H](NC(=O)CCn1ccc2ccc(Br)cc21)C(=O)[O-] ZINC000085432427 462546448 /nfs/dbraw/zinc/54/64/48/462546448.db2.gz VASYARTWIUWZRO-SECBINFHSA-N -1 0 339.189 2.383 50 0 EEAARM [O-]c1ccc(I)[n+]([O-])c1Cc1ccccc1 ZINC000005499374 462662080 /nfs/dbraw/zinc/66/20/80/462662080.db2.gz SXCKLSIFUKOIJO-UHFFFAOYSA-N -1 0 327.121 2.221 50 0 EEAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000006668201 462696307 /nfs/dbraw/zinc/69/63/07/462696307.db2.gz DCOZEFNXRFMYNE-IAGOWNOFSA-N -1 0 346.427 2.348 50 0 EEAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)CCC(=O)N2CCCCCC2)C1 ZINC000091425446 462877600 /nfs/dbraw/zinc/87/76/00/462877600.db2.gz GMDKBJXHMBELOR-SFHVURJKSA-N -1 0 338.448 2.273 50 0 EEAARM COc1ccc(CNC(=O)COc2ccc(OC)cc2C(=O)[O-])cc1 ZINC000013086714 462884656 /nfs/dbraw/zinc/88/46/56/462884656.db2.gz DLBPNCONAONVCW-UHFFFAOYSA-N -1 0 345.351 2.097 50 0 EEAARM CN(C)S(=O)(=O)c1cccc(COc2cccc(C(=O)[O-])c2)c1 ZINC000013419037 462892433 /nfs/dbraw/zinc/89/24/33/462892433.db2.gz MDPPGYRZJGHZID-UHFFFAOYSA-N -1 0 335.381 2.214 50 0 EEAARM CC(C)CNC(=O)c1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000013690427 462899639 /nfs/dbraw/zinc/89/96/39/462899639.db2.gz UDESBWJJXNGBQF-UHFFFAOYSA-N -1 0 327.431 2.054 50 0 EEAARM O=C([O-])CCC(=O)Nc1ccc(NC(=O)c2ccccc2)c(O)c1 ZINC000013955215 462906731 /nfs/dbraw/zinc/90/67/31/462906731.db2.gz PSMOPZCYIVRDCY-UHFFFAOYSA-N -1 0 328.324 2.448 50 0 EEAARM O=C(c1ccc(Cl)cc1[O-])N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000017071307 462994672 /nfs/dbraw/zinc/99/46/72/462994672.db2.gz IRHQJVGRXQQNDW-GFCCVEGCSA-N -1 0 340.660 2.466 50 0 EEAARM CCn1c(=O)c2ccc(C(=O)OCC(F)(F)F)cc2[n-]c1=S ZINC000121136030 463085723 /nfs/dbraw/zinc/08/57/23/463085723.db2.gz GWQLJVQIMSCEIS-UHFFFAOYSA-N -1 0 332.303 2.424 50 0 EEAARM CN(Cc1nc(Cc2cccs2)nn1CC(=O)[O-])C1CCCC1 ZINC000097815173 463364404 /nfs/dbraw/zinc/36/44/04/463364404.db2.gz CEBAEAWGCUMWFI-UHFFFAOYSA-N -1 0 334.445 2.389 50 0 EEAARM O=C(c1cc(F)ccc1Cl)N1CCc2c(=O)n3[n-]ccc3nc2C1 ZINC000102990023 463392952 /nfs/dbraw/zinc/39/29/52/463392952.db2.gz IIOUHUDHGFJRAX-UHFFFAOYSA-N -1 0 346.749 2.014 50 0 EEAARM CCOC(=O)N1CCc2c(c3cc(OC)ccc3n2CC(=O)[O-])C1 ZINC000261361466 463793590 /nfs/dbraw/zinc/79/35/90/463793590.db2.gz DCDAZZGJAFXXQQ-UHFFFAOYSA-N -1 0 332.356 2.249 50 0 EEAARM COc1cc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c(C)cc1C ZINC000241446994 464452974 /nfs/dbraw/zinc/45/29/74/464452974.db2.gz NQHRKMBDJXLZPK-UHFFFAOYSA-N -1 0 334.397 2.212 50 0 EEAARM Cc1oc(C)c(S(=O)(=O)NC[C@H]2CCCC2(F)F)c1C(=O)[O-] ZINC000389868288 467403086 /nfs/dbraw/zinc/40/30/86/467403086.db2.gz ZHIOSCOTKAKGTI-SECBINFHSA-N -1 0 337.344 2.308 50 0 EEAARM C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnc(Cl)c(C(F)(F)F)c1 ZINC000585135979 468986199 /nfs/dbraw/zinc/98/61/99/468986199.db2.gz KYUSJNDBRWGAIV-FSPLSTOPSA-N -1 0 342.726 2.215 50 0 EEAARM Cc1cc2cc(C(=O)N3C[C@@H]4COCC[C@]4(C(=O)[O-])C3)ccc2o1 ZINC001772702581 1179286049 /nfs/dbraw/zinc/28/60/49/1179286049.db2.gz UGLNCEAAXAHXBH-KDOFPFPSSA-N -1 0 329.352 2.305 50 0 EEAARM C/C(=C/C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1)c1ccncc1 ZINC000125423557 1205449334 /nfs/dbraw/zinc/44/93/34/1205449334.db2.gz BPZYWRQWDMQMAL-NTMALXAHSA-N -1 0 337.788 2.038 50 0 EEAARM CCn1c(=O)c([C@H]2c3ccccc3CCN2C(C)=O)c([O-])[nH]c1=S ZINC000100912154 219110998 /nfs/dbraw/zinc/11/09/98/219110998.db2.gz GUWMNLIDUGEWGJ-CQSZACIVSA-N -1 0 345.424 2.125 50 0 EEAARM COc1cc([C@H]2N[C@@H](C(=O)[O-])C(C)(C)S2)cc(OC)c1OC ZINC000004371003 210181817 /nfs/dbraw/zinc/18/18/17/210181817.db2.gz LDHMPQFIYHHUPO-STQMWFEESA-N -1 0 327.402 2.279 50 0 EEAARM CCn1cc(CN(C)Cc2nc(-c3ccc(C(=O)[O-])cc3)no2)cn1 ZINC000067770961 215208488 /nfs/dbraw/zinc/20/84/88/215208488.db2.gz LELRHEZYFTXNDU-UHFFFAOYSA-N -1 0 341.371 2.283 50 0 EEAARM C[C@](CO)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002583284 209870953 /nfs/dbraw/zinc/87/09/53/209870953.db2.gz QJTSLFSLVWJFCO-LJQANCHMSA-N -1 0 341.363 2.361 50 0 EEAARM Cc1cccc(N(CCC(N)=O)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000179990367 233621729 /nfs/dbraw/zinc/62/17/29/233621729.db2.gz NSJKEWFAGMQRSR-ZIAGYGMSSA-N -1 0 332.400 2.094 50 0 EEAARM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)NCC1=CCOCC1 ZINC000263405747 304057795 /nfs/dbraw/zinc/05/77/95/304057795.db2.gz TTYBGEIEIUJYCG-INIZCTEOSA-N -1 0 332.400 2.108 50 0 EEAARM Cc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000035686348 213046930 /nfs/dbraw/zinc/04/69/30/213046930.db2.gz SDEMVLSSINEWSY-INIZCTEOSA-N -1 0 347.367 2.014 50 0 EEAARM COc1cc(SC)c(OC)cc1CN1CCOC[C@H]1CC(=O)[O-] ZINC000072121606 216013523 /nfs/dbraw/zinc/01/35/23/216013523.db2.gz PVTYAEOOSIHHHA-GFCCVEGCSA-N -1 0 341.429 2.101 50 0 EEAARM Cc1nc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cs1 ZINC000020760940 212169926 /nfs/dbraw/zinc/16/99/26/212169926.db2.gz XWCMERRKCDOBBB-HNNXBMFYSA-N -1 0 343.408 2.287 50 0 biogenic EEAARM COc1cccc([C@@H]2CN(C(=O)c3scnc3C)C[C@H]2C(=O)[O-])c1 ZINC000091656814 218041801 /nfs/dbraw/zinc/04/18/01/218041801.db2.gz SMURQAXIHPRIMN-UONOGXRCSA-N -1 0 346.408 2.401 50 0 EEAARM CC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1 ZINC000008976857 211025608 /nfs/dbraw/zinc/02/56/08/211025608.db2.gz DVLYGZFJSVJXQV-UHFFFAOYSA-N -1 0 336.438 2.454 50 0 EEAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCC(F)(F)F)C1 ZINC000091620223 292379359 /nfs/dbraw/zinc/37/93/59/292379359.db2.gz UQUFKOPWXRPYQF-ZDUSSCGKSA-N -1 0 325.327 2.449 50 0 EEAARM COc1ccc(CCNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000000129845 295120546 /nfs/dbraw/zinc/12/05/46/295120546.db2.gz YWDCGKQJXZBZGP-KBPBESRZSA-N -1 0 335.400 2.254 50 0 biogenic,in-vitro EEAARM CC(C)Cc1sc(NC(=O)CCC(=O)NC2CC2)nc1C(=O)[O-] ZINC000095479648 441935926 /nfs/dbraw/zinc/93/59/26/441935926.db2.gz HSLPUPWVZQZUAS-UHFFFAOYSA-N -1 0 339.417 2.037 50 0 EEAARM Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2ncccc2O)o1 ZINC000127411569 462550330 /nfs/dbraw/zinc/55/03/30/462550330.db2.gz RBGSYQJNQNPJJO-AWEZNQCLSA-N -1 0 336.351 2.418 50 0 EEAARM Cn1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(=O)n1-c1ccccc1 ZINC000000398320 462559052 /nfs/dbraw/zinc/55/90/52/462559052.db2.gz HFPKKJKXILRHFJ-UONOGXRCSA-N -1 0 343.383 2.006 50 0 EEAARM O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)NC[C@H]1CCCO1 ZINC000000425039 462561224 /nfs/dbraw/zinc/56/12/24/462561224.db2.gz KIGPHTWGWCMQQG-GFCCVEGCSA-N -1 0 347.440 2.134 50 0 EEAARM Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)C)ccc12 ZINC000000518885 462567980 /nfs/dbraw/zinc/56/79/80/462567980.db2.gz SGONTALMSQZNQG-BDJLRTHQSA-N -1 0 347.367 2.094 50 0 biogenic EEAARM COc1ccccc1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000000540394 462570550 /nfs/dbraw/zinc/57/05/50/462570550.db2.gz ZZSVRRXTGNHXKH-HNNXBMFYSA-N -1 0 328.368 2.190 50 0 EEAARM O=C([O-])CC1(CC(=O)N2CCN(c3ccccn3)CC2)CCCC1 ZINC000001498918 462583662 /nfs/dbraw/zinc/58/36/62/462583662.db2.gz ZUMZXCOEKVWODD-UHFFFAOYSA-N -1 0 331.416 2.155 50 0 EEAARM Cc1c(C)c2ccc(OCC(=O)NCCCC(=O)[O-])c(C)c2oc1=O ZINC000002156794 462590429 /nfs/dbraw/zinc/59/04/29/462590429.db2.gz OYDSYYITLGQRHW-UHFFFAOYSA-N -1 0 347.367 2.078 50 0 biogenic EEAARM CC[C@@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000113676029 462609646 /nfs/dbraw/zinc/60/96/46/462609646.db2.gz GVHPHUCBERPOMK-GFCCVEGCSA-N -1 0 346.836 2.278 50 0 EEAARM COc1cc(OC)cc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000003529952 462622592 /nfs/dbraw/zinc/62/25/92/462622592.db2.gz HPEVXOCYJXVLSG-UHFFFAOYSA-N -1 0 335.381 2.131 50 0 EEAARM Cc1nc2ccccc2n1C[C@H](O)COc1ccccc1C(=O)[O-] ZINC000005588806 462664021 /nfs/dbraw/zinc/66/40/21/462664021.db2.gz LFFHTTUJPIXDHU-ZDUSSCGKSA-N -1 0 326.352 2.483 50 0 EEAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2ccsc2)C1 ZINC000091326860 462874057 /nfs/dbraw/zinc/87/40/57/462874057.db2.gz GHKAZXBKVXVROP-INIZCTEOSA-N -1 0 325.430 2.411 50 0 EEAARM COc1ccc([C@H]([NH2+]CCc2nc(C)cs2)P(=O)([O-])[O-])cc1 ZINC000012997445 462880505 /nfs/dbraw/zinc/88/05/05/462880505.db2.gz OPVZNGVYAMLMBT-CQSZACIVSA-N -1 0 342.357 2.469 50 0 EEAARM Cc1nccn1CCCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000092076883 462925492 /nfs/dbraw/zinc/92/54/92/462925492.db2.gz NYNVAIKQZVTNRF-DLBZAZTESA-N -1 0 341.411 2.299 50 0 EEAARM O=C([O-])[C@H]1CCCCC[C@@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000120181744 462970951 /nfs/dbraw/zinc/97/09/51/462970951.db2.gz PAFCTPBLBLIHHC-ZFWWWQNUSA-N -1 0 330.384 2.335 50 0 EEAARM O=C(Nc1cc(=O)nc2[n-]c(Cc3ccccc3)nn21)c1ccco1 ZINC000017027342 462992749 /nfs/dbraw/zinc/99/27/49/462992749.db2.gz ODWDWVVBHTYDLY-UHFFFAOYSA-N -1 0 335.323 2.266 50 0 EEAARM CC(=O)c1ccc(N2CCN(C(=O)C[C@H](C)CC(=O)[O-])CC2)cc1 ZINC000017068317 462993996 /nfs/dbraw/zinc/99/39/96/462993996.db2.gz JYBPQNZOUSUJOB-ZDUSSCGKSA-N -1 0 332.400 2.039 50 0 EEAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC000017071015 462994682 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CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000071286123 463413766 /nfs/dbraw/zinc/41/37/66/463413766.db2.gz OMLUPAJSCXNDJZ-RYUDHWBXSA-N -1 0 331.397 2.424 50 0 EEAARM O=S(=O)([N-]c1ccn2nccc2c1)c1cccc2nsnc21 ZINC000225596501 464174990 /nfs/dbraw/zinc/17/49/90/464174990.db2.gz XMCDMEPOTQCIBY-UHFFFAOYSA-N -1 0 331.382 2.140 50 0 EEAARM Cc1nnsc1CN(C)CCC(=O)Nc1ccsc1C(=O)[O-] ZINC000244866464 464464020 /nfs/dbraw/zinc/46/40/20/464464020.db2.gz VWQUMZOAGYQHPI-UHFFFAOYSA-N -1 0 340.430 2.067 50 0 EEAARM CCn1cc(C(=O)[O-])c(=O)c2cc(Cl)c(N3CCN(C)CC3)cc21 ZINC000028765648 575979157 /nfs/dbraw/zinc/97/91/57/575979157.db2.gz UXZAUKKRNYGBEI-UHFFFAOYSA-N -1 0 349.818 2.125 50 0 EEAARM O=C([O-])[C@@]12CN(C(=O)Cc3ccc4ccccc4c3)C[C@@H]1COCC2 ZINC001772700649 1179281441 /nfs/dbraw/zinc/28/14/41/1179281441.db2.gz HOKGEPLQMGZWJP-XLIONFOSSA-N -1 0 339.391 2.332 50 0 EEAARM CN(C)[C@@H](C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1F ZINC000254493453 1217656704 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O=C([O-])c1ccccc1C(=O)NC[C@@H](O)COc1ccc(Cl)cc1 ZINC000002205885 209830958 /nfs/dbraw/zinc/83/09/58/209830958.db2.gz MGBMHFNFKGKHSZ-GFCCVEGCSA-N -1 0 349.770 2.208 50 0 EEAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C/c1c(Cl)nc2sccn12 ZINC000037435255 213146566 /nfs/dbraw/zinc/14/65/66/213146566.db2.gz CRPLGRFOHDJGJJ-NWALNABHSA-N -1 0 325.777 2.138 50 0 EEAARM COc1cc(SC)c(OC)cc1CN1CCOC[C@@H]1CC(=O)[O-] ZINC000072121605 216013708 /nfs/dbraw/zinc/01/37/08/216013708.db2.gz PVTYAEOOSIHHHA-LBPRGKRZSA-N -1 0 341.429 2.101 50 0 EEAARM COc1ccc(CCNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1OC ZINC000000129843 209439212 /nfs/dbraw/zinc/43/92/12/209439212.db2.gz YWDCGKQJXZBZGP-UONOGXRCSA-N -1 0 335.400 2.254 50 0 biogenic,in-vitro EEAARM COc1ccc(CN2CCCn3nc(CCC(=O)[O-])cc3C2)cc1O ZINC000072431259 216224015 /nfs/dbraw/zinc/22/40/15/216224015.db2.gz PSYYGYPXAUAKGZ-UHFFFAOYSA-N -1 0 345.399 2.020 50 0 EEAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000021883875 212259173 /nfs/dbraw/zinc/25/91/73/212259173.db2.gz NCFIHUUQEVFPLZ-UHFFFAOYSA-N -1 0 329.765 2.041 50 0 EEAARM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C)c2)c(C)s1 ZINC000021867708 212257243 /nfs/dbraw/zinc/25/72/43/212257243.db2.gz RXTQUKDIEHTLMD-UHFFFAOYSA-N -1 0 349.441 2.356 50 0 EEAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000020491523 212139720 /nfs/dbraw/zinc/13/97/20/212139720.db2.gz IKDNFCUMZAMWLH-UHFFFAOYSA-N -1 0 348.380 2.217 50 0 EEAARM COc1cccc(CNC(=O)COc2ccc(CC(=O)[O-])cc2)c1 ZINC000013420980 211555604 /nfs/dbraw/zinc/55/56/04/211555604.db2.gz LEHSHEVVOZGEJR-UHFFFAOYSA-N -1 0 329.352 2.018 50 0 EEAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2ccccc2OC)C1 ZINC000091934345 218091551 /nfs/dbraw/zinc/09/15/51/218091551.db2.gz UDRCRXRRUFCRDC-LJQANCHMSA-N -1 0 349.427 2.358 50 0 EEAARM COCC[C@@]1(C(=O)[O-])CCCN(c2nccc(C(F)(F)F)n2)C1 ZINC000091873010 218081647 /nfs/dbraw/zinc/08/16/47/218081647.db2.gz YHRHRSCKMIRYNS-ZDUSSCGKSA-N -1 0 333.310 2.203 50 0 EEAARM COC(=O)c1csc(-n2nc(C(=O)[O-])cc2-c2ccccc2)n1 ZINC000008767868 211002657 /nfs/dbraw/zinc/00/26/57/211002657.db2.gz OGTSIRJWWBRSJY-UHFFFAOYSA-N -1 0 329.337 2.481 50 0 EEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000005140335 135670145 /nfs/dbraw/zinc/67/01/45/135670145.db2.gz JSOUCVOVUJICNR-KGLIPLIRSA-N -1 0 334.391 2.365 50 0 EEAARM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)CCCOc2ccccc2C)C1 ZINC000263191400 152398552 /nfs/dbraw/zinc/39/85/52/152398552.db2.gz XUJGYJJXZFLAJG-CABCVRRESA-N -1 0 335.400 2.245 50 0 EEAARM C[C@H](CN(C)C(=O)c1cccc(C(=O)OC(C)(C)C)c1)c1nnn[n-]1 ZINC000124169616 222386329 /nfs/dbraw/zinc/38/63/29/222386329.db2.gz DXLRCNABOPDKDC-LLVKDONJSA-N -1 0 345.403 2.031 50 0 EEAARM CS(=O)(=O)c1ccccc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000013224771 295559920 /nfs/dbraw/zinc/55/99/20/295559920.db2.gz AXTXIHNSTSRJME-CQSZACIVSA-N -1 0 347.392 2.036 50 0 EEAARM Nc1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000000522070 462567901 /nfs/dbraw/zinc/56/79/01/462567901.db2.gz MJWUUCYDTPJOIJ-UHFFFAOYSA-N -1 0 349.803 2.304 50 0 EEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000000524878 462568709 /nfs/dbraw/zinc/56/87/09/462568709.db2.gz BFTMWHMJQBIFQW-UHFFFAOYSA-N -1 0 332.381 2.072 50 0 EEAARM CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(C(=O)[O-])cc2)C1=O ZINC000004695935 462635860 /nfs/dbraw/zinc/63/58/60/462635860.db2.gz DFZXPVDVBVSGGK-ZPBHHCQCSA-N -1 0 349.364 2.373 50 0 EEAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000005793734 462670265 /nfs/dbraw/zinc/67/02/65/462670265.db2.gz OLFWXNFPYVVVFH-UHFFFAOYSA-N -1 0 348.336 2.121 50 0 EEAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000005854217 462671316 /nfs/dbraw/zinc/67/13/16/462671316.db2.gz LSAGATWEACQKFU-UHFFFAOYSA-N -1 0 333.365 2.477 50 0 EEAARM Cc1ccc(NC(=O)C(=O)n2cc(C(=O)c3ccccc3[O-])cn2)cc1 ZINC000006560674 462691185 /nfs/dbraw/zinc/69/11/85/462691185.db2.gz MSXCPLUWUFEPMK-UHFFFAOYSA-N -1 0 349.346 2.407 50 0 EEAARM Cc1ccsc1[C@@H]1CCN(C(=O)CCc2cc(=O)[n-]o2)C[C@H]1O ZINC000065404955 462765019 /nfs/dbraw/zinc/76/50/19/462765019.db2.gz IZIPYDPHWQYFHF-CHWSQXEVSA-N -1 0 336.413 2.060 50 0 EEAARM COc1ccc(-n2c(SCC(=O)[O-])nnc2C2CCOCC2)cc1 ZINC000065500999 462783590 /nfs/dbraw/zinc/78/35/90/462783590.db2.gz FEITWFJWGCXDNI-UHFFFAOYSA-N -1 0 349.412 2.347 50 0 EEAARM CNC(=O)c1cccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000013249181 462888122 /nfs/dbraw/zinc/88/81/22/462888122.db2.gz UQDITAGAXOXPLT-LJQANCHMSA-N -1 0 340.379 2.417 50 0 EEAARM O=C([O-])COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000014009950 462907246 /nfs/dbraw/zinc/90/72/46/462907246.db2.gz CDHUYSZIGKPOEQ-XNTDXEJSSA-N -1 0 338.319 2.247 50 0 EEAARM O=C([O-])CCC(=O)Nc1cccc(C(=O)NCCc2ccccc2)c1 ZINC000016527370 462982507 /nfs/dbraw/zinc/98/25/07/462982507.db2.gz KVZUOJCHCCYZIU-UHFFFAOYSA-N -1 0 340.379 2.462 50 0 EEAARM CN(Cc1ccccc1)[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000018142805 463006502 /nfs/dbraw/zinc/00/65/02/463006502.db2.gz NYAODXZCLXFABB-INIZCTEOSA-N -1 0 338.363 2.149 50 0 EEAARM 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CCn1ncnc1[C@H](C)Nc1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000072453472 216241062 /nfs/dbraw/zinc/24/10/62/216241062.db2.gz KJWRLNBGVKFZTR-JTQLQIEISA-N -1 0 339.359 2.021 50 0 EEAARM Cc1cn2c(nc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2=O)s1 ZINC000020921916 212188065 /nfs/dbraw/zinc/18/80/65/212188065.db2.gz PVCAHDNVFNPUKE-UHFFFAOYSA-N -1 0 349.437 2.482 50 0 EEAARM CN(Cc1cccc(F)c1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013309228 211543087 /nfs/dbraw/zinc/54/30/87/211543087.db2.gz OSWOTXQMMWOAKQ-UHFFFAOYSA-N -1 0 329.374 2.406 50 0 EEAARM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC000012532616 211401169 /nfs/dbraw/zinc/40/11/69/211401169.db2.gz ZMIBJMCYBGYCRA-UHFFFAOYSA-N -1 0 349.364 2.281 50 0 EEAARM COc1c([O-])cc(O)c2c(=O)cc(-c3c(O)ccc(O)c3OC)oc12 ZINC000012154001 211309080 /nfs/dbraw/zinc/30/90/80/211309080.db2.gz CPFJPTACQDZPLS-UHFFFAOYSA-N -1 0 346.291 2.300 50 0 biogenic,in-vitro EEAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@H]1COc2ccccc2C1 ZINC000261607141 304212724 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CCN1c2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2CC1=O ZINC000004938099 210330252 /nfs/dbraw/zinc/33/02/52/210330252.db2.gz USCZKJGIHNQURE-UHFFFAOYSA-N -1 0 346.408 2.405 50 0 EEAARM O=C([O-])C1(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CC1 ZINC000118960341 221211502 /nfs/dbraw/zinc/21/15/02/221211502.db2.gz UYHDEOPZYPLMBC-LBPRGKRZSA-N -1 0 327.739 2.244 50 0 EEAARM COC(=O)c1ccccc1NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000480277 292025247 /nfs/dbraw/zinc/02/52/47/292025247.db2.gz XCJLJMWQSQXCLR-UHFFFAOYSA-N -1 0 348.380 2.292 50 0 EEAARM CC[C@@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)Nc1ccccc1Cl ZINC000041605934 286961126 /nfs/dbraw/zinc/96/11/26/286961126.db2.gz LZAFMMDMOPBXBW-SECBINFHSA-N -1 0 340.792 2.033 50 0 EEAARM CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)[O-] ZINC000009164871 280301052 /nfs/dbraw/zinc/30/10/52/280301052.db2.gz HXGNFMSOKZGUEP-KBPBESRZSA-N -1 0 333.388 2.289 50 0 EEAARM CC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000081226 462541141 /nfs/dbraw/zinc/54/11/41/462541141.db2.gz FIIOQQVUSXDSMR-NSHDSACASA-N -1 0 334.401 2.262 50 0 EEAARM O=C([O-])c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000000152511 462544364 /nfs/dbraw/zinc/54/43/64/462544364.db2.gz WWIWGBHJEFLSRN-UHFFFAOYSA-N -1 0 328.343 2.486 50 0 EEAARM CC[C@@H](C)n1c(=O)c([C@H]2OCc3cnc(C)c(O)c32)c([O-])[nH]c1=S ZINC000000487852 462566430 /nfs/dbraw/zinc/56/64/30/462566430.db2.gz IAEWABWESGTFLQ-UHLUBPPHSA-N -1 0 349.412 2.237 50 0 biogenic EEAARM C/N=C1/S/C(=C\c2ccc(OCC(=O)[O-])c(Cl)c2)C(=O)N1C ZINC000002156363 462590409 /nfs/dbraw/zinc/59/04/09/462590409.db2.gz IJZNKIIVZLXZOJ-HKVQIXTNSA-N -1 0 340.788 2.335 50 0 EEAARM CC(=O)N[C@@H](CSc1cc(C)nc2ccc(N(C)C)cc21)C(=O)[O-] ZINC000006719246 462699705 /nfs/dbraw/zinc/69/97/05/462699705.db2.gz YSANMDITLTWBRL-HNNXBMFYSA-N -1 0 347.440 2.291 50 0 EEAARM CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118757500 462851447 /nfs/dbraw/zinc/85/14/47/462851447.db2.gz ZVFNJGMHHXBHJN-UHFFFAOYSA-N -1 0 335.429 2.493 50 0 EEAARM COc1ccccc1CNC(=O)[C@H](C)Oc1ccc(C(=O)[O-])cc1 ZINC000013308756 462888839 /nfs/dbraw/zinc/88/88/39/462888839.db2.gz GYSBJZVQWXYKHQ-LBPRGKRZSA-N -1 0 329.352 2.477 50 0 EEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000013804853 462903579 /nfs/dbraw/zinc/90/35/79/462903579.db2.gz JIGBTNBWQQOTLC-IJEWVQPXSA-N -1 0 340.379 2.339 50 0 EEAARM CCOc1cc(/C=C2\NC(=O)[N-]C2=O)c(Br)cc1OC ZINC000013940253 462905912 /nfs/dbraw/zinc/90/59/12/462905912.db2.gz BPHGEPHHQVQROL-WTKPLQERSA-N -1 0 341.161 2.037 50 0 EEAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)s1 ZINC000015584149 462956309 /nfs/dbraw/zinc/95/63/09/462956309.db2.gz FGJNVJLSJBKLGU-UHFFFAOYSA-N -1 0 331.440 2.261 50 0 EEAARM CCCCN(CC)C(=O)CCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000015726026 462961439 /nfs/dbraw/zinc/96/14/39/462961439.db2.gz DHAVTAAOURHFEU-UHFFFAOYSA-N -1 0 337.445 2.437 50 0 EEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000017067693 462993833 /nfs/dbraw/zinc/99/38/33/462993833.db2.gz 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463396360 /nfs/dbraw/zinc/39/63/60/463396360.db2.gz YRCVCMMCNHMTKO-UHFFFAOYSA-N -1 0 345.380 2.459 50 0 EEAARM Cc1nnc(-c2cc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)ccc2O)o1 ZINC000071285204 463414059 /nfs/dbraw/zinc/41/40/59/463414059.db2.gz KAWBUENLPUSJBK-RYUDHWBXSA-N -1 0 331.328 2.046 50 0 EEAARM CC(C)n1cc(C(=O)[O-])c(=O)c(C(=O)N(C)C2CCSCC2)c1 ZINC000426533772 535057852 /nfs/dbraw/zinc/05/78/52/535057852.db2.gz KADYCVYGYGTMME-UHFFFAOYSA-N -1 0 338.429 2.095 50 0 EEAARM COc1ccc(S(=O)(=O)[N-]c2c(C)nc(OC)nc2C)cc1C ZINC000585435960 792883802 /nfs/dbraw/zinc/88/38/02/792883802.db2.gz HVAHFCSRONCTEQ-UHFFFAOYSA-N -1 0 337.401 2.220 50 0 EEAARM Cc1ccccc1-n1cc(CN(C)Cc2nc(C(=O)[O-])co2)cn1 ZINC001529161168 1121348977 /nfs/dbraw/zinc/34/89/77/1121348977.db2.gz AIJGTMSWYCWRNI-UHFFFAOYSA-N -1 0 326.356 2.499 50 0 EEAARM C[C@H](c1nc(-c2ccc(Cl)cc2)nn1CC(=O)[O-])N1CCCC1=O ZINC000097698804 219049692 /nfs/dbraw/zinc/04/96/92/219049692.db2.gz NSJJOADUAHWHDB-SNVBAGLBSA-N -1 0 348.790 2.367 50 0 EEAARM Cc1coc2cc3oc(=O)c(CCC(=O)NCC(=O)[O-])c(C)c3cc12 ZINC000003863622 210080808 /nfs/dbraw/zinc/08/08/08/210080808.db2.gz UVGGFKQUNGWOFT-UHFFFAOYSA-N -1 0 343.335 2.289 50 0 biogenic EEAARM COc1ccc(OC)c(-n2c(SCC(=O)[O-])nnc2C2CC2)c1 ZINC000067880547 215239355 /nfs/dbraw/zinc/23/93/55/215239355.db2.gz RUTRPFFIFPPCMK-UHFFFAOYSA-N -1 0 335.385 2.339 50 0 EEAARM Cc1ccc(Cn2cc(Br)c(NC(=O)C(=O)[O-])n2)cc1 ZINC000002787766 209913090 /nfs/dbraw/zinc/91/30/90/209913090.db2.gz FQIJQULDOLJNNN-UHFFFAOYSA-N -1 0 338.161 2.025 50 0 EEAARM O=C([O-])/C=C/C(=O)Nc1cccc(C(=O)Nc2cccc(O)c2)c1 ZINC000002154309 209825541 /nfs/dbraw/zinc/82/55/41/209825541.db2.gz JZENHGFMUJLFIN-BQYQJAHWSA-N -1 0 326.308 2.224 50 0 EEAARM COc1ccc(CCNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1OC ZINC000000574632 209670001 /nfs/dbraw/zinc/67/00/01/209670001.db2.gz MHTZDXWVHGUFRP-KGLIPLIRSA-N -1 0 333.384 2.030 50 0 EEAARM O=C([O-])c1cccnc1SCC(=O)N1CCc2ccccc2C1 ZINC000013188494 211535306 /nfs/dbraw/zinc/53/53/06/211535306.db2.gz DJYIFIMYSNBVJG-UHFFFAOYSA-N -1 0 328.393 2.457 50 0 EEAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]13)O2 ZINC000003882449 304210395 /nfs/dbraw/zinc/21/03/95/304210395.db2.gz LAAHNNVDJMNWOR-OHTBPHCPSA-N -1 0 339.269 2.076 50 0 EEAARM CCc1[n-]n2c(nc(C)c(CC(=O)OC)c2=O)c1-c1ccccc1 ZINC000009547381 211101069 /nfs/dbraw/zinc/10/10/69/211101069.db2.gz JRHRJWCHWKZODD-UHFFFAOYSA-N -1 0 325.368 2.276 50 0 EEAARM COCc1cccc([C@@H](C(=O)[O-])N(C)Cc2c(C)nn(C)c2C)c1 ZINC000095383289 218315987 /nfs/dbraw/zinc/31/59/87/218315987.db2.gz SJHGSWFXSGCGNE-KRWDZBQOSA-N -1 0 331.416 2.441 50 0 EEAARM COC(=O)Cc1cc(=O)n2[n-]c(C)c(-c3ccc(OC)cc3)c2n1 ZINC000008768788 211001852 /nfs/dbraw/zinc/00/18/52/211001852.db2.gz OOWWBKMZBSTHSI-FMIVXFBMSA-N -1 0 327.340 2.380 50 0 EEAARM O=C([O-])c1cc2cnc(Cl)nc2n1S(=O)(=O)c1ccccc1 ZINC000252478434 304229452 /nfs/dbraw/zinc/22/94/52/304229452.db2.gz AMGRLUQLXMPYJB-UHFFFAOYSA-N -1 0 337.744 2.020 50 0 EEAARM CCN1CCN([C@@H](c2sc3ncnn3c2[O-])c2ccccc2)CC1 ZINC000022031133 285333213 /nfs/dbraw/zinc/33/32/13/285333213.db2.gz DKDIUUKFKLUELM-CQSZACIVSA-N -1 0 343.456 2.223 50 0 EEAARM CC(C)(C)OC(=O)N1CCn2c(Br)nc(C(=O)[O-])c2C1 ZINC000089195546 278414140 /nfs/dbraw/zinc/41/41/40/278414140.db2.gz XPSHWWXTUGQNPA-UHFFFAOYSA-N -1 0 346.181 2.095 50 0 EEAARM CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(S(=O)(=O)[O-])c1)C2=O ZINC000018191925 281541019 /nfs/dbraw/zinc/54/10/19/281541019.db2.gz WJIONZPENIKDKY-BLLLJJGKSA-N -1 0 337.397 2.249 50 0 EEAARM COc1cccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)c1OC(C)C ZINC000101347752 295315176 /nfs/dbraw/zinc/31/51/76/295315176.db2.gz LKLBJQWTGYZWQQ-LBPRGKRZSA-N -1 0 330.344 2.057 50 0 EEAARM C[C@@]1(C(=O)[O-])Nc2ccccc2-c2nc(=O)c(-c3ccccc3)nn21 ZINC000102347336 297884001 /nfs/dbraw/zinc/88/40/01/297884001.db2.gz XGFJKUFPZWWDLG-GOSISDBHSA-N -1 0 334.335 2.155 50 0 EEAARM Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)c(C)c1 ZINC000014093275 301683314 /nfs/dbraw/zinc/68/33/14/301683314.db2.gz NNIVTDDJWXVOBC-HNNXBMFYSA-N -1 0 347.392 2.344 50 0 EEAARM Cc1cnc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)s1 ZINC000100621322 302362471 /nfs/dbraw/zinc/36/24/71/302362471.db2.gz XCDQJYYYHUYYLN-UHFFFAOYSA-N -1 0 327.365 2.280 50 0 EEAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCC3)cc1 ZINC000006186257 440984640 /nfs/dbraw/zinc/98/46/40/440984640.db2.gz OPOARMCVBLYQFK-UHFFFAOYSA-N -1 0 337.426 2.391 50 0 EEAARM CC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000081220 462541264 /nfs/dbraw/zinc/54/12/64/462541264.db2.gz FIIOQQVUSXDSMR-LLVKDONJSA-N -1 0 334.401 2.262 50 0 EEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc3c(c2)C(=O)OC3)cc1 ZINC000000146820 462543323 /nfs/dbraw/zinc/54/33/23/462543323.db2.gz ZBTZPGZHMHBJSN-UHFFFAOYSA-N -1 0 346.364 2.176 50 0 EEAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)n1 ZINC000000138948 462543576 /nfs/dbraw/zinc/54/35/76/462543576.db2.gz OZKMBUGAHKUFIX-UHFFFAOYSA-N -1 0 348.428 2.489 50 0 EEAARM CN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1ccc2c(c1)OCO2 ZINC000001629508 462585125 /nfs/dbraw/zinc/58/51/25/462585125.db2.gz WTYHJVRWDIGCCZ-CVEARBPZSA-N -1 0 325.320 2.410 50 0 EEAARM Cc1cc(O[C@H](C)C(=O)NCCC(=O)[O-])c2c(C)c(C)c(=O)oc2c1 ZINC000002096593 462589133 /nfs/dbraw/zinc/58/91/33/462589133.db2.gz VAYCDPIEDBVKOD-GFCCVEGCSA-N -1 0 347.367 2.076 50 0 biogenic EEAARM CC(C)(CC(=O)[O-])CC(=O)Nn1c(=O)c2ccccc2[nH]c1=S ZINC000004169986 462629493 /nfs/dbraw/zinc/62/94/93/462629493.db2.gz VJIQJNGZQKULQA-UHFFFAOYSA-N -1 0 335.385 2.020 50 0 EEAARM Cc1ccc(S(=O)(=O)[N-]NC(=S)Nc2cccc(C)c2)cc1 ZINC000005337631 462656277 /nfs/dbraw/zinc/65/62/77/462656277.db2.gz ZHVREEDMINTWPC-UHFFFAOYSA-N -1 0 335.454 2.483 50 0 EEAARM COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000006847312 462707714 /nfs/dbraw/zinc/70/77/14/462707714.db2.gz YHWYDHNSTRMAFF-CHWSQXEVSA-N -1 0 332.356 2.259 50 0 EEAARM CC(C)(C)C(=O)N1CCC(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000012941172 462877376 /nfs/dbraw/zinc/87/73/76/462877376.db2.gz IAQKDGYOPQEJEK-UHFFFAOYSA-N -1 0 346.427 2.286 50 0 EEAARM COc1ccccc1CNC(=O)[C@@H](C)Oc1cccc(C(=O)[O-])c1 ZINC000013308881 462888987 /nfs/dbraw/zinc/88/89/87/462888987.db2.gz ZGDBCIHLVXLQIP-GFCCVEGCSA-N -1 0 329.352 2.477 50 0 EEAARM CN(C)S(=O)(=O)c1cccc(COc2ccccc2C(=O)[O-])c1 ZINC000013410685 462891716 /nfs/dbraw/zinc/89/17/16/462891716.db2.gz LKSJTSFAGNEONO-UHFFFAOYSA-N -1 0 335.381 2.214 50 0 EEAARM COc1cc(C)ccc1OCC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000013442092 462893105 /nfs/dbraw/zinc/89/31/05/462893105.db2.gz JMQNLJSLQXTZMM-UHFFFAOYSA-N -1 0 343.379 2.440 50 0 EEAARM Cc1cccnc1CN1CCN(c2ccc(Cl)c(C(=O)[O-])n2)CC1 ZINC000095523598 463103512 /nfs/dbraw/zinc/10/35/12/463103512.db2.gz CBWZOWXDLMRJOU-UHFFFAOYSA-N -1 0 346.818 2.459 50 0 EEAARM CCCC(=O)N(Cc1nn2c([n-]1)nc(C)cc2=O)c1ccc(F)cc1 ZINC000101802022 463381220 /nfs/dbraw/zinc/38/12/20/463381220.db2.gz WANRBZCDKAXVPM-UHFFFAOYSA-N -1 0 343.362 2.198 50 0 EEAARM Cc1cccc(-c2nnc(CCC(=O)NCc3ccccn3)c(=O)[n-]2)c1 ZINC000034768724 463428487 /nfs/dbraw/zinc/42/84/87/463428487.db2.gz 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/nfs/dbraw/zinc/36/46/56/1205364656.db2.gz KEBUFHLQQWLGMD-QXMHVHEDSA-N -1 0 344.392 2.193 50 0 EEAARM CCOC(=O)c1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])nc1C ZINC000004638009 210235454 /nfs/dbraw/zinc/23/54/54/210235454.db2.gz UIKCOPIIIRATGX-NXEZZACHSA-N -1 0 340.401 2.458 50 0 EEAARM CSCC[C@@H](NC(=S)Nc1ccc(C(C)=O)cc1)C(=O)[O-] ZINC000071766961 539336699 /nfs/dbraw/zinc/33/66/99/539336699.db2.gz CSKYVZLIJDCIMZ-GFCCVEGCSA-N -1 0 326.443 2.382 50 0 EEAARM CC(C)c1nc(C(=O)N2CCCn3nc(C(=O)[O-])cc3C2)cs1 ZINC000065526445 214946296 /nfs/dbraw/zinc/94/62/96/214946296.db2.gz MDYVYHRKZUYCKD-UHFFFAOYSA-N -1 0 334.401 2.207 50 0 EEAARM Cn1c(=O)c2ccc(C(=O)NCc3ccccc3F)cc2[n-]c1=S ZINC000102176676 219189274 /nfs/dbraw/zinc/18/92/74/219189274.db2.gz BULGDTRBLXAKFP-UHFFFAOYSA-N -1 0 343.383 2.291 50 0 EEAARM O=C([O-])CSc1nnc(-c2cc[nH]n2)n1-c1ccccc1Cl ZINC000067696638 215188789 /nfs/dbraw/zinc/18/87/89/215188789.db2.gz PNOVIZZZZGXXMT-UHFFFAOYSA-N -1 0 335.776 2.488 50 0 EEAARM CN1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000095386074 283253529 /nfs/dbraw/zinc/25/35/29/283253529.db2.gz OXDQMFWFUSVSNT-GOSISDBHSA-N -1 0 338.407 2.100 50 0 EEAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(NC(=O)C2CCC2)cc1 ZINC000071287607 215754625 /nfs/dbraw/zinc/75/46/25/215754625.db2.gz HTLMRUKOKAJBLA-UHFFFAOYSA-N -1 0 340.339 2.166 50 0 EEAARM O=C([O-])C[C@H]1Sc2nc3c(n2[C@@]1(O)c1ccccc1)CCCC3 ZINC000001866198 304087320 /nfs/dbraw/zinc/08/73/20/304087320.db2.gz APNWEAFOSRBUGI-RHSMWYFYSA-N -1 0 330.409 2.404 50 0 EEAARM O=C([O-])c1ccc(C[C@H]2CCN(C(=O)CCCn3cccn3)C2)cc1 ZINC000072463314 216244946 /nfs/dbraw/zinc/24/49/46/216244946.db2.gz NOFYPLPTSPUXOX-MRXNPFEDSA-N -1 0 341.411 2.453 50 0 EEAARM COc1cc(CN2CCCn3nc(CCC(=O)[O-])cc3C2)ccc1F ZINC000072462838 216245119 /nfs/dbraw/zinc/24/51/19/216245119.db2.gz ASEOXZDYQLHHPK-UHFFFAOYSA-N -1 0 347.390 2.454 50 0 EEAARM O=C(Cc1ccccc1)N[C@H](C(Cl)(Cl)Cl)[P@](=O)([O-])O ZINC000022204166 212282457 /nfs/dbraw/zinc/28/24/57/212282457.db2.gz 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/nfs/dbraw/zinc/34/09/02/295340902.db2.gz QUQZHEKEKVGDQO-AUUYWEPGSA-N -1 0 345.395 2.275 50 0 EEAARM Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC000003288748 301174384 /nfs/dbraw/zinc/17/43/84/301174384.db2.gz JDZUJZPRQPGONL-UHFFFAOYSA-N -1 0 325.430 2.406 50 0 EEAARM Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000000139076 301686135 /nfs/dbraw/zinc/68/61/35/301686135.db2.gz AIQIQJGSMJPTIG-MRXNPFEDSA-N -1 0 331.393 2.195 50 0 EEAARM Cc1nn(C)cc1[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)[O-])cc2N1 ZINC000000039411 462540690 /nfs/dbraw/zinc/54/06/90/462540690.db2.gz GYUJVZMKFLVFAV-WPRPVWTQSA-N -1 0 329.282 2.284 50 0 EEAARM Cn1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(=O)n1-c1ccccc1 ZINC000000398321 462558920 /nfs/dbraw/zinc/55/89/20/462558920.db2.gz HFPKKJKXILRHFJ-ZIAGYGMSSA-N -1 0 343.383 2.006 50 0 EEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1 ZINC000001430690 462582343 /nfs/dbraw/zinc/58/23/43/462582343.db2.gz MNZJEHBZCJBTFM-UHFFFAOYSA-N -1 0 333.369 2.381 50 0 EEAARM 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Cc1cccc(-c2nnc(CCC(=O)N3CCCCC3)c(=O)[n-]2)c1 ZINC000034768700 463429011 /nfs/dbraw/zinc/42/90/11/463429011.db2.gz WMZLSYAWPUJOCG-UHFFFAOYSA-N -1 0 326.400 2.498 50 0 EEAARM O=C([O-])CNC(=O)c1nc(SCc2ccccc2)ncc1Cl ZINC000041154686 463470744 /nfs/dbraw/zinc/47/07/44/463470744.db2.gz NSPGMUXWGDHEEF-UHFFFAOYSA-N -1 0 337.788 2.237 50 0 EEAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCS[C@H]2COCC[C@@H]21 ZINC000125088334 463500898 /nfs/dbraw/zinc/50/08/98/463500898.db2.gz XISKGBFFSDSSQX-AAEUAGOBSA-N -1 0 336.438 2.463 50 0 EEAARM C[C@@H]1CCc2[nH]nc(C(=O)NCCOc3cccc(C(=O)[O-])c3)c2C1 ZINC000252485099 464962175 /nfs/dbraw/zinc/96/21/75/464962175.db2.gz GNLXPMWBOSHMFL-LLVKDONJSA-N -1 0 343.383 2.042 50 0 EEAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)c1cc2c(s1)CCCCC2 ZINC000299792964 465886998 /nfs/dbraw/zinc/88/69/98/465886998.db2.gz HPADZFJRVDRKMS-CYBMUJFWSA-N -1 0 345.424 2.392 50 0 EEAARM O=C([O-])[C@@]1(O)CCCN(C(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000585134618 468985737 /nfs/dbraw/zinc/98/57/37/468985737.db2.gz 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/nfs/dbraw/zinc/98/65/04/210986504.db2.gz YETBCPMIVJVANJ-UHFFFAOYSA-N -1 0 334.397 2.029 50 0 EEAARM O=C([O-])c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1 ZINC000004940022 210331062 /nfs/dbraw/zinc/33/10/62/210331062.db2.gz FOOLRDUZWKIZPO-UHFFFAOYSA-N -1 0 326.308 2.322 50 0 EEAARM Cc1cc([N-]S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)no1 ZINC000036150588 132391121 /nfs/dbraw/zinc/39/11/21/132391121.db2.gz CQYXFTACFVQRRW-UHFFFAOYSA-N -1 0 335.385 2.301 50 0 EEAARM CC[C@@H](C(=O)[O-])N(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O ZINC000252537795 286746712 /nfs/dbraw/zinc/74/67/12/286746712.db2.gz MJGQWVOZEREBLY-JTQLQIEISA-N -1 0 325.308 2.335 50 0 EEAARM CCOC(=O)Cc1csc(NC(=O)CC(C)(C)CC(=O)[O-])n1 ZINC000000154983 462544222 /nfs/dbraw/zinc/54/42/22/462544222.db2.gz DGDNMDCHRZFEFO-UHFFFAOYSA-N -1 0 328.390 2.078 50 0 EEAARM Cc1c(NC(=O)CC(C)(C)CC(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000000152542 462544574 /nfs/dbraw/zinc/54/45/74/462544574.db2.gz CZEINBYGGGIFCM-UHFFFAOYSA-N -1 0 345.399 2.314 50 0 EEAARM 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325.430 2.469 50 0 EEAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000007054683 462719757 /nfs/dbraw/zinc/71/97/57/462719757.db2.gz JXJFMLXDMPKGIO-UHFFFAOYSA-N -1 0 349.364 2.347 50 0 EEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(N2CCCC2=O)c1 ZINC000007726764 462747335 /nfs/dbraw/zinc/74/73/35/462747335.db2.gz BFTLHWQPKBMLGC-UHFFFAOYSA-N -1 0 335.385 2.219 50 0 EEAARM O=C([O-])c1ccc(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000007779690 462751185 /nfs/dbraw/zinc/75/11/85/462751185.db2.gz AHCZBMMYLAOHQI-AWEZNQCLSA-N -1 0 328.299 2.268 50 0 EEAARM COc1ccc(CC[C@@H](C)N2CCn3nc(C(=O)[O-])cc3C2)cc1 ZINC000065371048 462759437 /nfs/dbraw/zinc/75/94/37/462759437.db2.gz XNCBQVIXFKWGQM-CYBMUJFWSA-N -1 0 329.400 2.427 50 0 EEAARM C[C@@H](c1nnc(SCC(=O)[O-])n1-c1ccccc1)n1cccn1 ZINC000065403445 462765033 /nfs/dbraw/zinc/76/50/33/462765033.db2.gz HMNYPOPVNVGVAK-NSHDSACASA-N -1 0 329.385 2.250 50 0 EEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O ZINC000009166974 462798367 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EEAARM O=C([O-])c1nccnc1C(=O)Nc1n[nH]cc1-c1ccc(Cl)cc1 ZINC000071284299 203089512 /nfs/dbraw/zinc/08/95/12/203089512.db2.gz DNGMVHLHZMWDCM-UHFFFAOYSA-N -1 0 343.730 2.471 50 0 EEAARM Cc1nc(-c2ccccc2)c(C(=O)N2CCC(O)(C(=O)[O-])CC2)s1 ZINC000071750227 203105965 /nfs/dbraw/zinc/10/59/65/203105965.db2.gz LCCDQQGRRORODC-UHFFFAOYSA-N -1 0 346.408 2.170 50 0 EEAARM O=C([O-])C1(O)CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1 ZINC000071755194 203107726 /nfs/dbraw/zinc/10/77/26/203107726.db2.gz VWVXPCKXMDZHFZ-UHFFFAOYSA-N -1 0 331.324 2.124 50 0 EEAARM CCCCc1nc(Cl)c(-c2nccn2[C@H](C)c2n[nH]c(=O)[n-]2)[nH]1 ZINC000071777252 203113632 /nfs/dbraw/zinc/11/36/32/203113632.db2.gz ZODVWBIDKKXTCB-MRVPVSSYSA-N -1 0 335.799 2.290 50 0 EEAARM O=C(c1c(F)cccc1F)N(Cc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000072405771 203215843 /nfs/dbraw/zinc/21/58/43/203215843.db2.gz XGIIMOZMWFYNHQ-UHFFFAOYSA-N -1 0 330.294 2.223 50 0 EEAARM CC(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)N3CCCC3)CC2)n1 ZINC000072435030 203223961 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Cn1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(=O)n1-c1ccccc1 ZINC000000398323 462559230 /nfs/dbraw/zinc/55/92/30/462559230.db2.gz HFPKKJKXILRHFJ-KGLIPLIRSA-N -1 0 343.383 2.006 50 0 EEAARM COc1ccc(C[C@H](C(=O)Nc2ccccc2C)c2nnn[n-]2)cc1 ZINC000000418752 462560364 /nfs/dbraw/zinc/56/03/64/462560364.db2.gz JRRYRNHZDIUCNE-HNNXBMFYSA-N -1 0 337.383 2.482 50 0 EEAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](C)C(=O)[O-])ccc12 ZINC000000488965 462566233 /nfs/dbraw/zinc/56/62/33/462566233.db2.gz UCZBPOCHBOFXRS-NSHDSACASA-N -1 0 347.367 2.022 50 0 biogenic EEAARM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)[O-] ZINC000001564485 462583727 /nfs/dbraw/zinc/58/37/27/462583727.db2.gz RMPUPQMKXGKXSG-GJZGRUSLSA-N -1 0 348.399 2.013 50 0 EEAARM Cc1ccc(Cn2cnc([N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000002776924 462601722 /nfs/dbraw/zinc/60/17/22/462601722.db2.gz ZIULDISQDLGVTH-UHFFFAOYSA-N -1 0 334.426 2.497 50 0 EEAARM CC[C@@H](C)[C@H](NC(=O)c1cc2c(c(OC)ccc2OC)n1C)C(=O)[O-] ZINC000004000346 462626668 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/nfs/dbraw/zinc/17/98/01/203179801.db2.gz PZQYCWOKHUIPGF-CYBMUJFWSA-N -1 0 346.408 2.050 50 0 EEAARM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc(CO)cc2)C[C@H]1c1ccccc1 ZINC000091519227 203637630 /nfs/dbraw/zinc/63/76/30/203637630.db2.gz JQGPHBBYWSCEOK-ZWKOTPCHSA-N -1 0 339.391 2.048 50 0 EEAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc(F)c(F)c2)C1 ZINC000091676722 203645778 /nfs/dbraw/zinc/64/57/78/203645778.db2.gz MQZCANVTUJTAKB-KRWDZBQOSA-N -1 0 341.354 2.237 50 0 EEAARM O=C([O-])CC[C@H](CNS(=O)(=O)c1ccccc1)C(F)(F)F ZINC000002451285 205617157 /nfs/dbraw/zinc/61/71/57/205617157.db2.gz MELJVCIFVMLMBS-SECBINFHSA-N -1 0 325.308 2.008 50 0 EEAARM COc1cccc(N2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])CC2)c1 ZINC000006714097 206518354 /nfs/dbraw/zinc/51/83/54/206518354.db2.gz VKKAWRUTBGLDMU-IRXDYDNUSA-N -1 0 344.411 2.011 50 0 EEAARM O=C([O-])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000000090566 304207618 /nfs/dbraw/zinc/20/76/18/304207618.db2.gz DCXJUPGLJRGMGW-OAHLLOKOSA-N -1 0 335.356 2.026 50 0 EEAARM O=C([O-])c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC000077011174 304228784 /nfs/dbraw/zinc/22/87/84/304228784.db2.gz IRHIFBDAGLUAEB-UHFFFAOYSA-N -1 0 337.744 2.020 50 0 EEAARM Nc1ccc(S(=O)(=O)[N-]C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012377600 207127941 /nfs/dbraw/zinc/12/79/41/207127941.db2.gz UFHPIXRXILBWNJ-UHFFFAOYSA-N -1 0 334.441 2.290 50 0 EEAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1cccs1 ZINC000013074573 207278953 /nfs/dbraw/zinc/27/89/53/207278953.db2.gz LBKDPWVQFBZFFY-VIFPVBQESA-N -1 0 341.410 2.494 50 0 EEAARM O=C([O-])c1coc(C[N@@H+]2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)n1 ZINC000095370079 304281628 /nfs/dbraw/zinc/28/16/28/304281628.db2.gz HQZHEFJGVKCWSU-ZDUSSCGKSA-N -1 0 330.340 2.451 50 0 EEAARM COc1cc([O-])c(I)c2oc(C)cc(=O)c12 ZINC000000336323 295004147 /nfs/dbraw/zinc/00/41/47/295004147.db2.gz OJPAOZGLBALOMW-UHFFFAOYSA-N -1 0 332.093 2.420 50 0 EEAARM C[C@]1(C(=O)[O-])Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@H]21 ZINC000006498563 300786436 /nfs/dbraw/zinc/78/64/36/300786436.db2.gz GKMFAZBTYIJNJF-OLBFVZFUSA-N -1 0 349.389 2.053 50 0 biogenic EEAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ncc(C)s1 ZINC000035670943 441603796 /nfs/dbraw/zinc/60/37/96/441603796.db2.gz VFSKCUPYKOGIHP-UHFFFAOYSA-N -1 0 341.414 2.219 50 0 EEAARM Cc1nn(C)c(C(=O)Nc2ccc(C(=O)[O-])cc2)c1Br ZINC000002763013 462602428 /nfs/dbraw/zinc/60/24/28/462602428.db2.gz FWBNOIORYJWADU-UHFFFAOYSA-N -1 0 338.161 2.442 50 0 EEAARM O=C([O-])c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000004103765 462628134 /nfs/dbraw/zinc/62/81/34/462628134.db2.gz LTMFTORSCUAJFE-UHFFFAOYSA-N -1 0 338.319 2.010 50 0 EEAARM C[C@@H](C(=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004173870 462628666 /nfs/dbraw/zinc/62/86/66/462628666.db2.gz ZUUCKMPPNWUMBR-YBRMTBITSA-N -1 0 347.370 2.352 50 0 EEAARM CC(NCc1ccco1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000004312959 462630289 /nfs/dbraw/zinc/63/02/89/462630289.db2.gz QRCIKEPMEIOVPE-KAMYIIQDSA-N -1 0 331.372 2.054 50 0 EEAARM Cc1cc(-c2ccccn2)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1 ZINC000004543161 462634473 /nfs/dbraw/zinc/63/44/73/462634473.db2.gz OARXDUCJCHEYCI-UHFFFAOYSA-N -1 0 341.396 2.230 50 0 EEAARM CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000005602749 462663811 /nfs/dbraw/zinc/66/38/11/462663811.db2.gz NOPCFEVDTOMIRE-UHFFFAOYSA-N -1 0 329.374 2.030 50 0 EEAARM Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3nnn[n-]3)cc12 ZINC000006682978 462697513 /nfs/dbraw/zinc/69/75/13/462697513.db2.gz NOHNBYYLOZMOFZ-UHFFFAOYSA-N -1 0 339.384 2.220 50 0 EEAARM Cc1c([O-])c2c(O)c3c(oc-2cc1=O)[C@H](O)Oc1cc(O)ccc1-3 ZINC000013378577 462891441 /nfs/dbraw/zinc/89/14/41/462891441.db2.gz NCWLTPKGFNPAMP-QGZVFWFLSA-N -1 0 328.276 2.269 50 0 biogenic EEAARM COc1ccc(OCC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013389177 462891523 /nfs/dbraw/zinc/89/15/23/462891523.db2.gz BRYNVYVVBFTVJV-CYBMUJFWSA-N -1 0 335.381 2.468 50 0 EEAARM COc1ccc(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)c(OC)c1 ZINC000013392895 462892087 /nfs/dbraw/zinc/89/20/87/462892087.db2.gz QAVGISHYRHECLK-UHFFFAOYSA-N -1 0 345.351 2.341 50 0 EEAARM COc1cc(C(=O)[O-])ccc1OCC(=O)NCCc1cccs1 ZINC000013420267 462892863 /nfs/dbraw/zinc/89/28/63/462892863.db2.gz LZXCQXNNIJMSAO-UHFFFAOYSA-N -1 0 335.381 2.193 50 0 EEAARM Cc1sc([N-]S(C)(=O)=O)nc1C(=O)Nc1ccc(C)cc1 ZINC000013692682 462901609 /nfs/dbraw/zinc/90/16/09/462901609.db2.gz JXTLGSUWVVTUKM-UHFFFAOYSA-N -1 0 325.415 2.384 50 0 EEAARM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)n1 ZINC000015728479 462961271 /nfs/dbraw/zinc/96/12/71/462961271.db2.gz CPCRSWAJOKIYDI-UHFFFAOYSA-N -1 0 331.397 2.466 50 0 EEAARM CCc1cccc(CC)c1NC(=O)CSc1nc([O-])cc(=O)[nH]1 ZINC000018166097 463008484 /nfs/dbraw/zinc/00/84/84/463008484.db2.gz ZFNMQVCOBIVBMO-UHFFFAOYSA-N -1 0 333.413 2.331 50 0 EEAARM COc1cc(-n2nc(C)c(CCC(=O)[O-])c2C)ccc1NC(C)=O ZINC000067674091 463035007 /nfs/dbraw/zinc/03/50/07/463035007.db2.gz NYPZURNTKKIMET-UHFFFAOYSA-N -1 0 331.372 2.473 50 0 EEAARM CCSc1cccc([C@H](C(=O)[O-])N2CCN(CCOC)CC2)c1 ZINC000095354556 463068138 /nfs/dbraw/zinc/06/81/38/463068138.db2.gz ZZENFQDOICCCCC-MRXNPFEDSA-N -1 0 338.473 2.188 50 0 EEAARM O=C(Nc1ccccc1Cl)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102990636 463393127 /nfs/dbraw/zinc/39/31/27/463393127.db2.gz ARVRVJVHTOSYIG-UHFFFAOYSA-N -1 0 343.774 2.266 50 0 EEAARM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000124169108 463395371 /nfs/dbraw/zinc/39/53/71/463395371.db2.gz AQURGYMZIFKBKD-SSDOTTSWSA-N -1 0 342.323 2.203 50 0 EEAARM C[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000033924719 463425857 /nfs/dbraw/zinc/42/58/57/463425857.db2.gz BROZWXIUDUZVCI-UXEDPAHQSA-N -1 0 344.392 2.108 50 0 EEAARM C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)NCc1cccnc1)c3[O-] ZINC000170624711 463685852 /nfs/dbraw/zinc/68/58/52/463685852.db2.gz HPODPQDKZAOQHG-LLVKDONJSA-N -1 0 335.363 2.149 50 0 EEAARM COc1cc(C(=O)[O-])cc(C(=O)N2CCCC3(CCOCC3)C2)c1 ZINC000426409199 467141917 /nfs/dbraw/zinc/14/19/17/467141917.db2.gz DJLUSODVLUEFOS-UHFFFAOYSA-N -1 0 333.384 2.426 50 0 EEAARM CCCn1ccnc1-c1c(-c2ccccc2)ncn1[C@H](CO)C(=O)[O-] ZINC000091770060 1214114911 /nfs/dbraw/zinc/11/49/11/1214114911.db2.gz QAFQMQFXOFALCU-CQSZACIVSA-N -1 0 340.383 2.442 50 0 EEAARM Cc1ccc(-n2nc(N3CCC(C(=O)[O-])CC3)ccc2=O)cc1Cl ZINC000032918611 202242187 /nfs/dbraw/zinc/24/21/87/202242187.db2.gz LJWBVWDOWGVLPB-UHFFFAOYSA-N -1 0 347.802 2.495 50 0 EEAARM Cn1c(COc2cccc3cccnc32)nnc1SCC(=O)[O-] ZINC000000107877 201435603 /nfs/dbraw/zinc/43/56/03/201435603.db2.gz URCLYAPQPIPRIC-UHFFFAOYSA-N -1 0 330.369 2.119 50 0 EEAARM O=c1c2[n-][nH]n(Cc3ccccc3)c=2c(=O)n1-c1ccc(F)c(F)c1 ZINC000004483752 201602575 /nfs/dbraw/zinc/60/25/75/201602575.db2.gz QMAQZKYHYTUPNA-CABCVRRESA-N -1 0 342.305 2.458 50 0 EEAARM Cc1ccc2c(c1)C(=O)O[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)C2 ZINC000004248133 201594865 /nfs/dbraw/zinc/59/48/65/201594865.db2.gz HZGDHNXNNRQPSZ-OAHLLOKOSA-N -1 0 325.320 2.413 50 0 EEAARM C[C@H](NC(=O)c1c(C(=O)[O-])cnn1C)c1ccc(-n2cccc2)cc1 ZINC000020615091 212156475 /nfs/dbraw/zinc/15/64/75/212156475.db2.gz RBINSOAVCOAKOJ-LBPRGKRZSA-N -1 0 338.367 2.400 50 0 EEAARM COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)cc1-c1nnc(C)o1 ZINC000071285737 203089641 /nfs/dbraw/zinc/08/96/41/203089641.db2.gz BROUBYWPNIEDOY-STQMWFEESA-N -1 0 345.355 2.349 50 0 EEAARM O=C([O-])C[C@H]1COCCN1C(=O)c1csc(Cc2ccccc2)n1 ZINC000072166330 203179448 /nfs/dbraw/zinc/17/94/48/203179448.db2.gz PZQYCWOKHUIPGF-ZDUSSCGKSA-N -1 0 346.408 2.050 50 0 EEAARM CCn1ncnc1CN1CCC(Oc2ccccc2C)(C(=O)[O-])CC1 ZINC000072447800 203226140 /nfs/dbraw/zinc/22/61/40/203226140.db2.gz HFYQUEAFEPZWLR-UHFFFAOYSA-N -1 0 344.415 2.105 50 0 EEAARM O=C([O-])C1(Oc2ccc3c(c2)CCC3)CCN(c2cnccn2)CC1 ZINC000072480366 203232510 /nfs/dbraw/zinc/23/25/10/203232510.db2.gz WOOPRNOKVZSYBO-UHFFFAOYSA-N -1 0 339.395 2.468 50 0 EEAARM Cc1ncccc1OC1(C(=O)[O-])CCN(c2noc(C(C)C)n2)CC1 ZINC000072423890 203220420 /nfs/dbraw/zinc/22/04/20/203220420.db2.gz ABCUKXOHEUOAOR-UHFFFAOYSA-N -1 0 346.387 2.399 50 0 EEAARM O=C([O-])CCc1cc2n(n1)CCCN(c1cnc3ccccc3n1)C2 ZINC000072428032 203222669 /nfs/dbraw/zinc/22/26/69/203222669.db2.gz OOFKMXYPVZXTIA-UHFFFAOYSA-N -1 0 337.383 2.254 50 0 EEAARM Cc1ncsc1CCC(=O)N1CC(Oc2ccc(C(=O)[O-])cc2)C1 ZINC000095387266 203725969 /nfs/dbraw/zinc/72/59/69/203725969.db2.gz GHOQUBRYECUUFX-UHFFFAOYSA-N -1 0 346.408 2.372 50 0 EEAARM C/C(=C\C(=O)[O-])C(=O)Nc1ccc(I)cc1 ZINC000013115535 207348218 /nfs/dbraw/zinc/34/82/18/207348218.db2.gz NAZLIKAZAAHRPV-VOTSOKGWSA-N -1 0 331.109 2.261 50 0 EEAARM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)O[C@@H]2c2ccccc2)cc1O ZINC000000376874 304247832 /nfs/dbraw/zinc/24/78/32/304247832.db2.gz MPFGXUXHFSUBLI-XJKSGUPXSA-N -1 0 341.319 2.333 50 0 EEAARM O=C([O-])c1nnsc1NC(=O)N1CCCC[C@H]1c1cccnc1 ZINC000033414053 304285201 /nfs/dbraw/zinc/28/52/01/304285201.db2.gz ZOIHYRJUSOAITI-JTQLQIEISA-N -1 0 333.373 2.390 50 0 EEAARM C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)[O-])C[C@@H](C)O1 ZINC000036724649 132393376 /nfs/dbraw/zinc/39/33/76/132393376.db2.gz XQLXFQIVCWOBDM-GHMZBOCLSA-N -1 0 333.413 2.420 50 0 EEAARM Cc1c(Cc2ccccc2)sc(NC(=O)/C=C/C(=O)[O-])c1C(N)=O ZINC000000055659 462540481 /nfs/dbraw/zinc/54/04/81/462540481.db2.gz OYZWZOGITJLXPV-BQYQJAHWSA-N -1 0 344.392 2.326 50 0 EEAARM COc1ccc(C2(CNC(=O)CCC(=O)[O-])CCCC2)cc1OC ZINC000000209976 462547795 /nfs/dbraw/zinc/54/77/95/462547795.db2.gz XGAFAVGNPVXMPM-UHFFFAOYSA-N -1 0 335.400 2.497 50 0 EEAARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@@H]2C)cc1 ZINC000001440084 462582689 /nfs/dbraw/zinc/58/26/89/462582689.db2.gz ACKJOYVCFDTSNF-LBPRGKRZSA-N -1 0 331.397 2.102 50 0 EEAARM COc1ccc(C)cc1S(=O)(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000002869184 462605078 /nfs/dbraw/zinc/60/50/78/462605078.db2.gz SKLGSGUSLJPXRO-UHFFFAOYSA-N -1 0 349.408 2.279 50 0 EEAARM CC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000003030967 462609819 /nfs/dbraw/zinc/60/98/19/462609819.db2.gz TYFRSWFPSZYVQJ-UHFFFAOYSA-N -1 0 340.335 2.094 50 0 EEAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000003329508 462615936 /nfs/dbraw/zinc/61/59/36/462615936.db2.gz GWNMVFOSNQOJJY-UHFFFAOYSA-N -1 0 333.365 2.477 50 0 EEAARM CC(C)NC(=O)CC(C)(C)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000006349320 462683211 /nfs/dbraw/zinc/68/32/11/462683211.db2.gz CXWQBIIFSJTTQN-UHFFFAOYSA-N -1 0 337.445 2.340 50 0 EEAARM Cc1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000006778400 462704526 /nfs/dbraw/zinc/70/45/26/462704526.db2.gz PGIMZSXTNOPCGT-UHFFFAOYSA-N -1 0 340.430 2.242 50 0 EEAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C)nc2sccn2c1=O ZINC000006859752 462709111 /nfs/dbraw/zinc/70/91/11/462709111.db2.gz QIFXOSABWDNJMD-UHFFFAOYSA-N -1 0 349.437 2.428 50 0 EEAARM CCOc1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1Cl ZINC000011566070 462834641 /nfs/dbraw/zinc/83/46/41/462834641.db2.gz WLONCJADMINYNB-UHFFFAOYSA-N -1 0 347.820 2.224 50 0 EEAARM Cc1ccnn1CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000091745210 462903414 /nfs/dbraw/zinc/90/34/14/462903414.db2.gz RPAWDXCIRHLUBV-JKSUJKDBSA-N -1 0 345.374 2.048 50 0 EEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Cc1ccccc1F ZINC000014371669 462926148 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212214230 /nfs/dbraw/zinc/21/42/30/212214230.db2.gz QANIPISOLXDUDY-UHFFFAOYSA-N -1 0 333.735 2.053 50 0 EEAARM COc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCC(C(=O)[O-])CC3)c2c1 ZINC000020722513 212164144 /nfs/dbraw/zinc/16/41/44/212164144.db2.gz KFIOFXCFMKIXPZ-OAHLLOKOSA-N -1 0 332.356 2.099 50 0 EEAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1n[nH]cc1-c1ccc(Cl)cc1 ZINC000020616630 212156458 /nfs/dbraw/zinc/15/64/58/212156458.db2.gz WAUMYUWBIOXOEV-UHFFFAOYSA-N -1 0 345.746 2.414 50 0 EEAARM CCn1nccc1-c1cc(C(=O)[O-])n2ncc(Br)c2n1 ZINC000020605633 212153475 /nfs/dbraw/zinc/15/34/75/212153475.db2.gz FTTOLPOIBPIBRR-UHFFFAOYSA-N -1 0 336.149 2.073 50 0 EEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cn1 ZINC000006715476 304175988 /nfs/dbraw/zinc/17/59/88/304175988.db2.gz NGRZYVGUKDVVQG-ZJUUUORDSA-N -1 0 325.162 2.450 50 0 EEAARM CCN(Cc1ccncc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000013250762 211538059 /nfs/dbraw/zinc/53/80/59/211538059.db2.gz KXLYIGAMRADGLV-UHFFFAOYSA-N -1 0 334.397 2.299 50 0 EEAARM COc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc(Cl)c1OC ZINC000013170939 211534322 /nfs/dbraw/zinc/53/43/22/211534322.db2.gz BQJMKFDHMFUDSM-SECBINFHSA-N -1 0 327.764 2.294 50 0 EEAARM COc1ccc(-n2nnnc2C=CNc2ccccc2C(=O)[O-])cc1 ZINC000012368314 211357666 /nfs/dbraw/zinc/35/76/66/211357666.db2.gz ILATVFFGIIEPOR-KHPPLWFESA-N -1 0 337.339 2.452 50 0 EEAARM CCCc1nc(C(=O)N2C[C@@H](c3ccncc3)[C@H](C(=O)[O-])C2)cs1 ZINC000091664264 218043466 /nfs/dbraw/zinc/04/34/66/218043466.db2.gz NKPDSDWUFPEXDH-QWHCGFSZSA-N -1 0 345.424 2.431 50 0 EEAARM CCn1ccnc1-c1c(-c2ccccc2)ncn1[C@H](CO)C(=O)[O-] ZINC000091973806 218097099 /nfs/dbraw/zinc/09/70/99/218097099.db2.gz OYJKVBDISGYMDL-CYBMUJFWSA-N -1 0 326.356 2.052 50 0 EEAARM CCOC(=O)N1CCN([C@H](C(=O)[O-])c2ccccc2SC)CC1 ZINC000095362794 218295855 /nfs/dbraw/zinc/29/58/55/218295855.db2.gz MGQGZISGZSYYIA-AWEZNQCLSA-N -1 0 338.429 2.308 50 0 EEAARM Cn1cc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)ccc1=O ZINC000095364492 218296990 /nfs/dbraw/zinc/29/69/90/218296990.db2.gz GVHBPPAUQRZSFJ-OAHLLOKOSA-N -1 0 340.379 2.103 50 0 EEAARM CC(C)C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC000095471288 218407980 /nfs/dbraw/zinc/40/79/80/218407980.db2.gz VWJFXPYOWMSPKA-CHWSQXEVSA-N -1 0 342.436 2.249 50 0 EEAARM COc1ccc(/C=C2\SC(=O)N(CCC(=O)[O-])C2=O)c(OC)c1 ZINC000004942277 210333699 /nfs/dbraw/zinc/33/36/99/210333699.db2.gz HHOZZXFJXRQWDG-GHXNOFRVSA-N -1 0 337.353 2.215 50 0 EEAARM O=C([O-])c1cccc(N2CC[C@@]3(C2)CCCN(CC2CCC2)C3=O)n1 ZINC000091518914 304262564 /nfs/dbraw/zinc/26/25/64/304262564.db2.gz DBBGSMPKDVMTFT-LJQANCHMSA-N -1 0 343.427 2.399 50 0 EEAARM O=C(NCc1ccc(-c2nn[nH]n2)cc1)c1scnc1C1CC1 ZINC000126890097 292317464 /nfs/dbraw/zinc/31/74/64/292317464.db2.gz MHOUSIODAWHZJD-UHFFFAOYSA-N -1 0 326.385 2.131 50 0 EEAARM CC[C@H](C)[C@H](NC(=O)NCCc1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000006358394 287727619 /nfs/dbraw/zinc/72/76/19/287727619.db2.gz CSPOTFFWFMZIRE-NHYWBVRUSA-N -1 0 338.404 2.045 50 0 biogenic EEAARM 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462579290 /nfs/dbraw/zinc/57/92/90/462579290.db2.gz ISKJUFYJFYMNSD-UHFFFAOYSA-N -1 0 338.367 2.405 50 0 EEAARM COc1ccccc1N1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])CC1 ZINC000001471449 462583711 /nfs/dbraw/zinc/58/37/11/462583711.db2.gz XFCUUOGSMCPLHW-CABCVRRESA-N -1 0 344.411 2.011 50 0 EEAARM CC[C@@H](C)[C@H](NC(=O)NCCc1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000002153505 462590500 /nfs/dbraw/zinc/59/05/00/462590500.db2.gz CSPOTFFWFMZIRE-ABAIWWIYSA-N -1 0 338.404 2.045 50 0 biogenic EEAARM Cc1ccccc1Cn1cnc([N-]S(=O)(=O)c2cccs2)n1 ZINC000002778213 462601896 /nfs/dbraw/zinc/60/18/96/462601896.db2.gz FDHWKGPTHLQCGW-UHFFFAOYSA-N -1 0 334.426 2.497 50 0 EEAARM CCC(NC1CC1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000005817487 462669929 /nfs/dbraw/zinc/66/99/29/462669929.db2.gz XSYBZMMLQJFGPM-OUKQBFOZSA-N -1 0 333.775 2.339 50 0 EEAARM Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](C)C(=O)[O-])c(C)c3cc12 ZINC000005982106 462673179 /nfs/dbraw/zinc/67/31/79/462673179.db2.gz JUEDETPJRIGCBD-SNVBAGLBSA-N -1 0 343.335 2.288 50 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CCCc1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)[O-])C1 ZINC000426734005 535436888 /nfs/dbraw/zinc/43/68/88/535436888.db2.gz LNGBSYPICFJQNE-OAHLLOKOSA-N -1 0 343.431 2.403 50 0 EEAARM CSCC[C@@H](NC(=O)Cn1cc(C(C)=O)c2ccccc21)C(=O)[O-] ZINC000206212865 1180067576 /nfs/dbraw/zinc/06/75/76/1180067576.db2.gz AKUOSFHZSPFGEP-CQSZACIVSA-N -1 0 348.424 2.166 50 0 EEAARM Cc1n[nH]c(C)c1CCCN(C)C(=O)c1cnc(C2CC2)[nH]c1=O ZINC001506418999 1114601303 /nfs/dbraw/zinc/60/13/03/1114601303.db2.gz VMYFTHMMYPLORC-UHFFFAOYSA-N -1 0 329.404 2.104 50 0 EEAARM CC(=O)c1cccc(NC(=O)[C@@H](CC(=O)[O-])NCc2ccco2)c1 ZINC000004616134 210232392 /nfs/dbraw/zinc/23/23/92/210232392.db2.gz WJULIQZWNJUGJK-OAHLLOKOSA-N -1 0 330.340 2.054 50 0 EEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000004162375 210134826 /nfs/dbraw/zinc/13/48/26/210134826.db2.gz JIGBTNBWQQOTLC-DZKIICNBSA-N -1 0 340.379 2.339 50 0 EEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1S(=O)(=O)/C=C/c1ccccc1 ZINC000003886222 210084845 /nfs/dbraw/zinc/08/48/45/210084845.db2.gz MRCGREOYPXYTQL-DVQDXYAYSA-N -1 0 343.404 2.499 50 0 EEAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)CCCOCc1ccccc1)C(=O)[O-] ZINC000067909757 215249104 /nfs/dbraw/zinc/24/91/04/215249104.db2.gz IXVFCDGCMDAMHI-QGZVFWFLSA-N -1 0 345.399 2.265 50 0 EEAARM O=C([O-])C1(NC(=O)COc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000039286996 213233449 /nfs/dbraw/zinc/23/34/49/213233449.db2.gz GIQULCWRPRATQN-UHFFFAOYSA-N -1 0 347.289 2.478 50 0 EEAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCSCC2)c2cc(C(=O)[O-])ccc21 ZINC000036360312 213089449 /nfs/dbraw/zinc/08/94/49/213089449.db2.gz XCJMMAZQYQJTRK-AWEZNQCLSA-N -1 0 334.397 2.051 50 0 EEAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000071282726 215751439 /nfs/dbraw/zinc/75/14/39/215751439.db2.gz LMWUCFWTJDXNHL-UHFFFAOYSA-N -1 0 334.335 2.413 50 0 EEAARM O=C([O-])c1ccc(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000025685798 212494300 /nfs/dbraw/zinc/49/43/00/212494300.db2.gz AHCZBMMYLAOHQI-CQSZACIVSA-N -1 0 328.299 2.268 50 0 EEAARM 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FFEDZIXVQSJQFI-UHFFFAOYSA-N -1 0 348.380 2.135 50 0 EEAARM O=C([O-])c1ccc(=O)n(CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000077099200 216839112 /nfs/dbraw/zinc/83/91/12/216839112.db2.gz WPWWANAGRKPBDZ-UHFFFAOYSA-N -1 0 340.257 2.204 50 0 EEAARM O=C([O-])[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000037528640 304171526 /nfs/dbraw/zinc/17/15/26/304171526.db2.gz JXNFFYMTEVUTMU-ZYHUDNBSSA-N -1 0 347.230 2.127 50 0 EEAARM C[C@@H](S[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C)C(=O)[O-] ZINC000012946057 296211666 /nfs/dbraw/zinc/21/16/66/296211666.db2.gz QBLKDWTWMLZSMW-VHSXEESVSA-N -1 0 336.413 2.345 50 0 EEAARM COc1ccc([C@@H]2CC(=O)c3cc(C(=O)[O-])c(=O)[nH]c3C2)c(OC)c1 ZINC000012391623 211366784 /nfs/dbraw/zinc/36/67/84/211366784.db2.gz MASHWHKHFULLBJ-VIFPVBQESA-N -1 0 343.335 2.003 50 0 EEAARM COc1ccc(C(=O)N2CCC[C@](CC3CC3)(C(=O)[O-])C2)c(OC)n1 ZINC000091678868 218045796 /nfs/dbraw/zinc/04/57/96/218045796.db2.gz BUWYWHZDDDZXMJ-GOSISDBHSA-N -1 0 348.399 2.206 50 0 EEAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000092078498 218117134 /nfs/dbraw/zinc/11/71/34/218117134.db2.gz LTJYRZDQSASMRH-GOSISDBHSA-N -1 0 349.431 2.022 50 0 EEAARM CC(C)c1nc(CN(C)[C@@H](C(=O)[O-])c2ccc3c(c2)OCCO3)no1 ZINC000095383062 218315294 /nfs/dbraw/zinc/31/52/94/218315294.db2.gz LZFDRTJYNDBLES-OAHLLOKOSA-N -1 0 347.371 2.222 50 0 EEAARM COc1ccc(CN2CCN(c3ncccc3C(=O)[O-])CC2)cc1F ZINC000013192974 135700049 /nfs/dbraw/zinc/70/00/49/135700049.db2.gz OTRBGCPFODDINR-UHFFFAOYSA-N -1 0 345.374 2.250 50 0 EEAARM C[C@]1(C(=O)[O-])Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@H]21 ZINC000004042113 300786511 /nfs/dbraw/zinc/78/65/11/300786511.db2.gz GKMFAZBTYIJNJF-UTEYVOQOSA-N -1 0 349.389 2.053 50 0 biogenic EEAARM COc1cc(NC(=O)COc2ccccc2)c(C(=O)[O-])cc1OC ZINC000000094004 462541880 /nfs/dbraw/zinc/54/18/80/462541880.db2.gz YSQLRWOIJWLDEP-UHFFFAOYSA-N -1 0 331.324 2.420 50 0 biogenic EEAARM Cc1nnc([C@@H]2CCCN2CCC(=O)Nc2ccsc2C(=O)[O-])[nH]1 ZINC000252489049 464965320 /nfs/dbraw/zinc/96/53/20/464965320.db2.gz JEAGNIVTTPUJMH-NSHDSACASA-N -1 0 349.416 2.039 50 0 EEAARM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000140446 462543834 /nfs/dbraw/zinc/54/38/34/462543834.db2.gz RYTIOKFPTHGNRR-UHFFFAOYSA-N -1 0 334.401 2.262 50 0 EEAARM CCN(CC)S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000000246267 462551421 /nfs/dbraw/zinc/55/14/21/462551421.db2.gz BEAOALAOZSAFEN-UHFFFAOYSA-N -1 0 336.207 2.178 50 0 EEAARM COc1ccc(C(=O)Nc2ccccc2C(=O)NCCC(=O)[O-])cc1 ZINC000000274151 462552201 /nfs/dbraw/zinc/55/22/01/462552201.db2.gz DCMMHXXTOVDOCY-UHFFFAOYSA-N -1 0 342.351 2.152 50 0 biogenic EEAARM CCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1)C(=O)[O-] ZINC000001750419 462586713 /nfs/dbraw/zinc/58/67/13/462586713.db2.gz ZZZOCTGZIOGBLT-SMDDNHRTSA-N -1 0 347.367 2.238 50 0 biogenic EEAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCC(=O)[O-])ccc12 ZINC000002119465 462590231 /nfs/dbraw/zinc/59/02/31/462590231.db2.gz NNEWSXXUTMUZKB-NSHDSACASA-N -1 0 347.367 2.104 50 0 biogenic EEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)NCCc1ccc(F)cc1 ZINC000002398272 462592500 /nfs/dbraw/zinc/59/25/00/462592500.db2.gz YIUIGFKCZIKZMZ-INIZCTEOSA-N -1 0 330.359 2.363 50 0 EEAARM O=C([O-])/C=C/C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000002777460 462601453 /nfs/dbraw/zinc/60/14/53/462601453.db2.gz ZDFADHYEYGOHJM-AATRIKPKSA-N -1 0 339.760 2.350 50 0 EEAARM O=c1nc(CSc2nnnn2-c2ccccc2)[n-]c2ccsc21 ZINC000006039085 462674777 /nfs/dbraw/zinc/67/47/77/462674777.db2.gz FLERLHBGVRPSRA-UHFFFAOYSA-N -1 0 342.409 2.253 50 0 EEAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)cc1 ZINC000006887560 462710651 /nfs/dbraw/zinc/71/06/51/462710651.db2.gz VYSSJEARLDICBI-UHFFFAOYSA-N -1 0 331.353 2.139 50 0 EEAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c(OC)c1 ZINC000012559987 462856649 /nfs/dbraw/zinc/85/66/49/462856649.db2.gz ZDGHCXXQCHHYDP-UHFFFAOYSA-N -1 0 333.369 2.381 50 0 EEAARM COc1cccc(CNS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000013087879 462884912 /nfs/dbraw/zinc/88/49/12/462884912.db2.gz 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ZINC000244898848 464465168 /nfs/dbraw/zinc/46/51/68/464465168.db2.gz ZCSLRVICZCSXCH-INMHGKMJSA-N -1 0 331.412 2.327 50 0 EEAARM CC[C@H](NC(=O)c1cnc2nc(C)[n-]n2c1=O)c1ccc(C)c(C)c1 ZINC000199326692 783016990 /nfs/dbraw/zinc/01/69/90/783016990.db2.gz LHVJBCSJVUYSND-HNNXBMFYSA-N -1 0 339.399 2.224 50 0 EEAARM COc1ccc(Cl)cc1[C@H](C(=O)[O-])N1CCn2nc(C)cc2C1 ZINC001529120588 1121324666 /nfs/dbraw/zinc/32/46/66/1121324666.db2.gz FEBRFXFXTVDBEB-OAHLLOKOSA-N -1 0 335.791 2.495 50 0 EEAARM COc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000004554451 210220380 /nfs/dbraw/zinc/22/03/80/210220380.db2.gz RRCZTXSCHPJASO-UHFFFAOYSA-N -1 0 339.344 2.114 50 0 EEAARM COc1ccc(CCN2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1 ZINC000004426112 210190355 /nfs/dbraw/zinc/19/03/55/210190355.db2.gz OKAKFOWAOMRWIL-UHFFFAOYSA-N -1 0 325.320 2.232 50 0 EEAARM COc1cc(N2C[C@@H](C(=O)[O-])CC2=O)ccc1NC(=O)C(C)(C)C ZINC000065532679 214949923 /nfs/dbraw/zinc/94/99/23/214949923.db2.gz WXUJHJFNPUWTQG-JTQLQIEISA-N -1 0 334.372 2.117 50 0 EEAARM CC(C)(C)OC(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)[O-] ZINC000002575505 209870518 /nfs/dbraw/zinc/87/05/18/209870518.db2.gz IHXHBYFWSOYYTR-CYBMUJFWSA-N -1 0 332.356 2.200 50 0 EEAARM O=C([O-])C1=NN(c2ccc(Cl)cc2)c2ncccc2S1(=O)=O ZINC000096511611 304036508 /nfs/dbraw/zinc/03/65/08/304036508.db2.gz SAQMCFYOHOPDSR-UHFFFAOYSA-N -1 0 337.744 2.059 50 0 EEAARM CCNc1ncc(C(=O)N2CC[C@@H](c3ccccc3C(=O)[O-])C2)cn1 ZINC000072171397 216061611 /nfs/dbraw/zinc/06/16/11/216061611.db2.gz YIZRDXMLSNIOQP-GFCCVEGCSA-N -1 0 340.383 2.236 50 0 EEAARM COc1ccc(-c2csc3ncn(CC(=O)[O-])c(=O)c23)cc1OC ZINC000000148665 209451892 /nfs/dbraw/zinc/45/18/92/209451892.db2.gz KYZYRQGMIPYOAS-UHFFFAOYSA-N -1 0 346.364 2.227 50 0 EEAARM CC(C)COC(=O)c1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1 ZINC000072401008 216194407 /nfs/dbraw/zinc/19/44/07/216194407.db2.gz OIJRVBYQLBMNBG-UHFFFAOYSA-N -1 0 343.339 2.240 50 0 EEAARM Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)C2CCOCC2)CC1 ZINC000072411140 216203903 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C[C@@H](Oc1ccccc1)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000022185444 212279897 /nfs/dbraw/zinc/27/98/97/212279897.db2.gz HXDDVZZDBPVLAQ-LLVKDONJSA-N -1 0 343.408 2.411 50 0 EEAARM Cc1cc2nc(CCNC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)[nH]c2cc1C ZINC000426580897 241310836 /nfs/dbraw/zinc/31/08/36/241310836.db2.gz BBUKWIFGDXBYCJ-QWHCGFSZSA-N -1 0 329.400 2.339 50 0 EEAARM NC(=O)C[C@H](Nc1ncnc2sc(-c3ccccc3)cc21)C(=O)[O-] ZINC000020312052 212117649 /nfs/dbraw/zinc/11/76/49/212117649.db2.gz DUTIKKVOGOIBAQ-NSHDSACASA-N -1 0 342.380 2.099 50 0 EEAARM COc1ccc(Br)c(C(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000019488734 212032268 /nfs/dbraw/zinc/03/22/68/212032268.db2.gz FKQJOBXXGUKELR-LLVKDONJSA-N -1 0 330.178 2.297 50 0 EEAARM Cc1sc2ncn(CC(=O)[N-]OCc3ccccc3)c(=O)c2c1C ZINC000009855224 211127973 /nfs/dbraw/zinc/12/79/73/211127973.db2.gz CIJDOIDYDAWYJO-UHFFFAOYSA-N -1 0 343.408 2.323 50 0 EEAARM O=C([O-])C[C@@H](NC(=O)c1cn2ccsc2n1)c1ccc(F)cc1 ZINC000095383967 218316104 /nfs/dbraw/zinc/31/61/04/218316104.db2.gz 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Cc1[nH][nH]c(=O)c1CC(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000426647914 241320412 /nfs/dbraw/zinc/32/04/12/241320412.db2.gz LFIZXQUNJURGGW-AWEZNQCLSA-N -1 0 343.383 2.071 50 0 EEAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2COc3ccccc3C2)c2ccccc2O1 ZINC000013436793 304131766 /nfs/dbraw/zinc/13/17/66/304131766.db2.gz GTGNGJJLCORFKV-DYVFJYSZSA-N -1 0 339.347 2.117 50 0 EEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)n[nH]1 ZINC000021096450 212206314 /nfs/dbraw/zinc/20/63/14/212206314.db2.gz QZFTZCBQUWXZRW-UHFFFAOYSA-N -1 0 343.792 2.349 50 0 EEAARM COc1ccc(Br)c(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000019442030 212028137 /nfs/dbraw/zinc/02/81/37/212028137.db2.gz QFFNDBFBJBCRAK-LLVKDONJSA-N -1 0 328.162 2.147 50 0 EEAARM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1 ZINC000008987549 211027359 /nfs/dbraw/zinc/02/73/59/211027359.db2.gz ZEOOEXRVZHDZPG-UHFFFAOYSA-N -1 0 326.324 2.125 50 0 EEAARM COC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cccnc3)cc2C1 ZINC000096096297 218590170 /nfs/dbraw/zinc/59/01/70/218590170.db2.gz BMSRFILWPUBOHL-UHFFFAOYSA-N -1 0 347.396 2.007 50 0 EEAARM Cc1c2cc(F)ccc2[nH]c1CN1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000097334183 219012659 /nfs/dbraw/zinc/01/26/59/219012659.db2.gz JQIVPRWVFKQONP-MRXNPFEDSA-N -1 0 328.347 2.350 50 0 EEAARM COCCN(Cc1cccnc1)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000097505754 219031563 /nfs/dbraw/zinc/03/15/63/219031563.db2.gz NPKJZEJNCVFYQJ-UHFFFAOYSA-N -1 0 331.372 2.014 50 0 EEAARM Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)CC2)c1 ZINC000034926360 132389582 /nfs/dbraw/zinc/38/95/82/132389582.db2.gz GYWXTUMNJYZTFQ-HOTGVXAUSA-N -1 0 330.428 2.309 50 0 EEAARM CC(C)[C@@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)[O-] ZINC000009164879 279887554 /nfs/dbraw/zinc/88/75/54/279887554.db2.gz HXGNFMSOKZGUEP-KGLIPLIRSA-N -1 0 333.388 2.289 50 0 EEAARM CN(C)C(=O)Cc1ccccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000072324865 288971854 /nfs/dbraw/zinc/97/18/54/288971854.db2.gz OUEFLWLVXOVFSL-UHFFFAOYSA-N -1 0 340.379 2.197 50 0 biogenic EEAARM CO[C@@]1(C)C[C@@H](O)C12CCN(c1ccc(Cl)c(C(=O)[O-])n1)CC2 ZINC000091964868 294154680 /nfs/dbraw/zinc/15/46/80/294154680.db2.gz PTFQTMGOSQKMBU-ABAIWWIYSA-N -1 0 340.807 2.190 50 0 EEAARM CC(C)(C)OC(=O)CSC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002576480 462595162 /nfs/dbraw/zinc/59/51/62/462595162.db2.gz XUWCYXZSDDVUHF-VIFPVBQESA-N -1 0 335.422 2.039 50 0 EEAARM Cc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCN(C)CC2)cc1 ZINC000022031158 463043429 /nfs/dbraw/zinc/04/34/29/463043429.db2.gz NKCYWHWWRKRNRS-AWEZNQCLSA-N -1 0 343.456 2.142 50 0 EEAARM O=C([O-])c1ccc(NNC(=S)NCc2ccc3c(c2)OCO3)cc1 ZINC000007556665 462740288 /nfs/dbraw/zinc/74/02/88/462740288.db2.gz WIMOVWWVQLCKCB-UHFFFAOYSA-N -1 0 345.380 2.105 50 0 EEAARM COc1cccc(-c2c(C(=O)[O-])nnn2-c2ccc3c(c2)OCO3)c1 ZINC000065288238 462753110 /nfs/dbraw/zinc/75/31/10/462753110.db2.gz STWGHWUNRGBCPS-UHFFFAOYSA-N -1 0 339.307 2.370 50 0 EEAARM CC(C)c1nc(N2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)no1 ZINC000065380997 462761235 /nfs/dbraw/zinc/76/12/35/462761235.db2.gz AEUPWYVASUYQFK-UHFFFAOYSA-N -1 0 330.388 2.213 50 0 EEAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccsc2)c1 ZINC000008724857 462793796 /nfs/dbraw/zinc/79/37/96/462793796.db2.gz VKXIYBBNTMABFP-UHFFFAOYSA-N -1 0 325.411 2.429 50 0 EEAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCc2ccccc21 ZINC000013270009 462888916 /nfs/dbraw/zinc/88/89/16/462888916.db2.gz YMWZAEGPNYZCCB-AWEZNQCLSA-N -1 0 347.392 2.359 50 0 EEAARM COc1cccc(CC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000013393037 462891862 /nfs/dbraw/zinc/89/18/62/462891862.db2.gz HZMYUINYIIGOAA-UHFFFAOYSA-N -1 0 329.352 2.261 50 0 EEAARM O=C([O-])Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC000013405895 462892135 /nfs/dbraw/zinc/89/21/35/462892135.db2.gz GSWYZTFGTKZGGO-UHFFFAOYSA-N -1 0 331.147 2.378 50 0 EEAARM C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000013468255 462894894 /nfs/dbraw/zinc/89/48/94/462894894.db2.gz CNBMHTYDKQVBJP-MAZHCROVSA-N -1 0 340.383 2.112 50 0 EEAARM Cc1nccn1CC(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095388618 463072973 /nfs/dbraw/zinc/07/29/73/463072973.db2.gz NELDFTFZWHLSSI-INIZCTEOSA-N -1 0 327.384 2.296 50 0 EEAARM O=C(NCc1ccnc(N2CCOCC2)c1)c1ccc([O-])c(Cl)c1 ZINC000025289769 463116780 /nfs/dbraw/zinc/11/67/80/463116780.db2.gz HLEMWYTVVFVPQL-UHFFFAOYSA-N -1 0 347.802 2.207 50 0 EEAARM O=C([O-])CCCNC(=O)Cn1ccc2cc(Br)ccc21 ZINC000032106387 463365244 /nfs/dbraw/zinc/36/52/44/463365244.db2.gz YIQMVUABUNUMQG-UHFFFAOYSA-N -1 0 339.189 2.385 50 0 EEAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cnn(Cc2ccccc2F)c1 ZINC000071283951 463412842 /nfs/dbraw/zinc/41/28/42/463412842.db2.gz HNUKWLSBUMMNFH-ZIAGYGMSSA-N -1 0 331.347 2.366 50 0 EEAARM Nc1ccnc(N2CCC[C@](CCc3ccccc3)(C(=O)[O-])C2)n1 ZINC000071388743 463415034 /nfs/dbraw/zinc/41/50/34/463415034.db2.gz XGHVNXGQYXCNHW-GOSISDBHSA-N -1 0 326.400 2.363 50 0 EEAARM CC1(C)CN(C(=O)Cc2cc(=O)[nH][n-]c2=O)C[C@H]1c1ccccc1 ZINC000426512374 535335173 /nfs/dbraw/zinc/33/51/73/535335173.db2.gz 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219119035 /nfs/dbraw/zinc/11/90/35/219119035.db2.gz USAIXIYNRUSKRS-OAHLLOKOSA-N -1 0 338.367 2.218 50 0 EEAARM Cc1coc2c1cc1c(C)c(CC(=O)NCC(=O)[O-])c(=O)oc1c2C ZINC000003863604 210081063 /nfs/dbraw/zinc/08/10/63/210081063.db2.gz XFEPVZQIGFDFCU-UHFFFAOYSA-N -1 0 343.335 2.208 50 0 biogenic EEAARM Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](C)C(=O)[O-])c(C)c3cc12 ZINC000003863606 210080472 /nfs/dbraw/zinc/08/04/72/210080472.db2.gz JUEDETPJRIGCBD-JTQLQIEISA-N -1 0 343.335 2.288 50 0 biogenic EEAARM CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCC2=O ZINC000003683331 210073244 /nfs/dbraw/zinc/07/32/44/210073244.db2.gz TUFDZUKIWRSOSQ-UHFFFAOYSA-N -1 0 339.369 2.247 50 0 EEAARM O=C([O-])c1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000003454491 210043740 /nfs/dbraw/zinc/04/37/40/210043740.db2.gz IFCBFZRDWYGXRH-UHFFFAOYSA-N -1 0 345.298 2.281 50 0 EEAARM CC[C@@H](C)[C@@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)[O-] ZINC000001750399 209790273 /nfs/dbraw/zinc/79/02/73/209790273.db2.gz DTHHZOZRIKDHGM-BMLIUANNSA-N -1 0 347.367 2.096 50 0 EEAARM CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000035600827 213040912 /nfs/dbraw/zinc/04/09/12/213040912.db2.gz DFSQFYZZJVUEDA-UHFFFAOYSA-N -1 0 349.364 2.362 50 0 EEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C[C@H]1COc2ccccc2O1 ZINC000035301340 213018565 /nfs/dbraw/zinc/01/85/65/213018565.db2.gz BWUVFNOCZBXDAM-NSHDSACASA-N -1 0 343.408 2.256 50 0 EEAARM O=c1[n-]c(CCn2ccnc2-c2c(F)ccc(Cl)c2F)n[nH]1 ZINC000072145910 216032765 /nfs/dbraw/zinc/03/27/65/216032765.db2.gz INVNEKXGHNKTFK-UHFFFAOYSA-N -1 0 325.706 2.136 50 0 EEAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1nnc(-c2ccncc2)s1 ZINC000035683943 304107382 /nfs/dbraw/zinc/10/73/82/304107382.db2.gz QEAFEEQTIGQTDP-GHMZBOCLSA-N -1 0 332.385 2.430 50 0 EEAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000074928272 216537839 /nfs/dbraw/zinc/53/78/39/216537839.db2.gz CJIOGQUXTDLSPC-UHFFFAOYSA-N -1 0 334.397 2.212 50 0 EEAARM COc1cc(CN2CCSCC2)cc(Cl)c1OCC(=O)[O-] ZINC000216359129 241186646 /nfs/dbraw/zinc/18/66/46/241186646.db2.gz LHWGVPBYMSKADN-UHFFFAOYSA-N -1 0 331.821 2.361 50 0 EEAARM Cc1cc(C(=O)N2CCC[C@H](c3ccnn3CC(=O)[O-])C2)cs1 ZINC000426484366 241294454 /nfs/dbraw/zinc/29/44/54/241294454.db2.gz AYVYQVGVNMBNIV-LBPRGKRZSA-N -1 0 333.413 2.357 50 0 EEAARM Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])Oc3cc(C)ccc32)cc1 ZINC000226087863 242090306 /nfs/dbraw/zinc/09/03/06/242090306.db2.gz IEEKIYXGQCVJBI-MRXNPFEDSA-N -1 0 347.392 2.344 50 0 EEAARM O=C([O-])c1ccc(N2C(=O)C[C@@H](Nc3ccc(F)cc3)C2=O)cc1 ZINC000019626797 212051165 /nfs/dbraw/zinc/05/11/65/212051165.db2.gz PUBWBDBNPCINBN-CQSZACIVSA-N -1 0 328.299 2.268 50 0 EEAARM COc1ccccc1OCC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000013442726 211557987 /nfs/dbraw/zinc/55/79/87/211557987.db2.gz ZJFGNJFQIAVNPG-UHFFFAOYSA-N -1 0 329.352 2.131 50 0 EEAARM CCOC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(F)ccc32)CC1 ZINC000012409064 211372186 /nfs/dbraw/zinc/37/21/86/211372186.db2.gz JHHDIQMBCDLNJR-OAHLLOKOSA-N -1 0 349.362 2.207 50 0 EEAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2scnc2C)C1 ZINC000091847673 218076188 /nfs/dbraw/zinc/07/61/88/218076188.db2.gz WTJRHUOXUIJWLI-HNNXBMFYSA-N -1 0 326.418 2.185 50 0 EEAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)c2nn(C)c(C)c2Cl)C1 ZINC000091894040 218084152 /nfs/dbraw/zinc/08/41/52/218084152.db2.gz LCIMJHNGDJMGDG-HNNXBMFYSA-N -1 0 327.812 2.489 50 0 EEAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1 ZINC000092078623 218117409 /nfs/dbraw/zinc/11/74/09/218117409.db2.gz FIXULLLEQBFGFN-LJQANCHMSA-N -1 0 346.427 2.240 50 0 EEAARM C[C@@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)c1ccccc1 ZINC000010265536 211158837 /nfs/dbraw/zinc/15/88/37/211158837.db2.gz DPLANBHYYOAUML-GFCCVEGCSA-N -1 0 347.392 2.486 50 0 EEAARM O=C([O-])C[C@H](NS(=O)(=O)c1ccccc1F)c1ccc(F)cc1 ZINC000009579323 211104624 /nfs/dbraw/zinc/10/46/24/211104624.db2.gz KBLHKJYCAKOETK-ZDUSSCGKSA-N -1 0 341.335 2.459 50 0 EEAARM Cc1c[nH]c(CN(C)[C@@H](C(=O)[O-])c2ccc(-n3cccn3)cc2)n1 ZINC000095355270 218289113 /nfs/dbraw/zinc/28/91/13/218289113.db2.gz MYCANRRWRKSQPB-MRXNPFEDSA-N -1 0 325.372 2.162 50 0 EEAARM Cn1cc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)ccc1=O ZINC000095372424 218305428 /nfs/dbraw/zinc/30/54/28/218305428.db2.gz GHVSPXNQFVVMGI-HNNXBMFYSA-N -1 0 340.379 2.103 50 0 EEAARM O=C([O-])[C@@H](NC(=O)c1cn2ccsc2n1)c1ccc(F)cc1F ZINC000095378697 218310905 /nfs/dbraw/zinc/31/09/05/218310905.db2.gz ZBWWADMGPUEJHX-NSHDSACASA-N -1 0 337.307 2.230 50 0 EEAARM O=C([O-])[C@@H](c1ccsc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1 ZINC000095385553 218317041 /nfs/dbraw/zinc/31/70/41/218317041.db2.gz LCFJMCQZJVYIHT-MRXNPFEDSA-N -1 0 348.399 2.357 50 0 EEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000004788615 210278283 /nfs/dbraw/zinc/27/82/83/210278283.db2.gz IHTLUVVFRYYSBM-IAGOWNOFSA-N -1 0 344.411 2.124 50 0 EEAARM Cc1cc2nc(CN(C)Cc3nc4c(s3)CCCC4)cc(=O)n2[n-]1 ZINC000334159635 258005099 /nfs/dbraw/zinc/00/50/99/258005099.db2.gz WEUACZPDXXJESB-UHFFFAOYSA-N -1 0 343.456 2.298 50 0 EEAARM O=C([O-])Cn1cc(-c2ccccc2)c2ncnc(N3CCOCC3)c21 ZINC000057352327 132199630 /nfs/dbraw/zinc/19/96/30/132199630.db2.gz KJXSPRJVERNOIB-UHFFFAOYSA-N -1 0 338.367 2.020 50 0 EEAARM COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000342373284 161060313 /nfs/dbraw/zinc/06/03/13/161060313.db2.gz KTXSUSZIOKZTKH-SFHVURJKSA-N -1 0 341.363 2.382 50 0 EEAARM COc1ccc(Cl)cc1[C@@H](C(=O)[O-])N1CCCN(C(C)=O)CC1 ZINC000095387978 295146930 /nfs/dbraw/zinc/14/69/30/295146930.db2.gz GGAMFHDLSCAJLY-HNNXBMFYSA-N -1 0 340.807 2.029 50 0 EEAARM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)s1 ZINC000008338343 303815600 /nfs/dbraw/zinc/81/56/00/303815600.db2.gz LXDQRTRUOUCGKU-UHFFFAOYSA-N -1 0 327.793 2.301 50 0 EEAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2ccccc2Cl)cs1 ZINC000013690226 441164119 /nfs/dbraw/zinc/16/41/19/441164119.db2.gz FKHVKAXNJPMJBV-UHFFFAOYSA-N -1 0 345.833 2.349 50 0 EEAARM CCc1nc(CN2Cc3[nH]c4ccccc4c3C[C@H]2C(=O)[O-])no1 ZINC000534652018 468271073 /nfs/dbraw/zinc/27/10/73/468271073.db2.gz RAKFQQXLMLEHQV-AWEZNQCLSA-N -1 0 326.356 2.125 50 0 EEAARM CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000000000777 462540083 /nfs/dbraw/zinc/54/00/83/462540083.db2.gz QSNOWCXXECLALL-LLVKDONJSA-N -1 0 329.805 2.484 50 0 in-man EEAARM CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](C)C(=O)[O-])c12 ZINC000000487571 462566282 /nfs/dbraw/zinc/56/62/82/462566282.db2.gz HEYHSWAOCOLNIY-NSHDSACASA-N -1 0 347.367 2.022 50 0 biogenic EEAARM CC[C@H](C)[C@@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)[O-] ZINC000001750401 462586705 /nfs/dbraw/zinc/58/67/05/462586705.db2.gz DTHHZOZRIKDHGM-DYZYQPBXSA-N -1 0 347.367 2.096 50 0 EEAARM CCCC[C@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)[O-] ZINC000002152696 462589973 /nfs/dbraw/zinc/58/99/73/462589973.db2.gz HHWQDSTZFKGLTQ-AWEZNQCLSA-N -1 0 347.367 2.109 50 0 biogenic EEAARM C[C@@]1(C(=O)Nc2ccc(C(=O)[O-])cc2)Cc2ccccc2C(=O)O1 ZINC000005240625 462650829 /nfs/dbraw/zinc/65/08/29/462650829.db2.gz WNTDPBCUGOSWFA-SFHVURJKSA-N -1 0 325.320 2.495 50 0 EEAARM O=C(NCc1ccccc1F)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000005731312 462668355 /nfs/dbraw/zinc/66/83/55/462668355.db2.gz LWRQPJPBYCPSLA-UHFFFAOYSA-N -1 0 338.338 2.332 50 0 EEAARM COc1ccccc1C[C@H](C(=O)Nc1ccc(F)cc1)c1nnn[n-]1 ZINC000006259438 462680981 /nfs/dbraw/zinc/68/09/81/462680981.db2.gz QHCIQCDOYFIUAC-AWEZNQCLSA-N -1 0 341.346 2.312 50 0 EEAARM O=C([O-])c1cc2n(n1)CCCN(C(=O)c1c(F)ccc(F)c1F)C2 ZINC000065382938 462761350 /nfs/dbraw/zinc/76/13/50/462761350.db2.gz PUFVQFZDWOTBTC-UHFFFAOYSA-N -1 0 339.273 2.045 50 0 EEAARM COc1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1C(=O)[O-] ZINC000013309046 462888872 /nfs/dbraw/zinc/88/88/72/462888872.db2.gz GONAGLFAQWMRCF-GFCCVEGCSA-N -1 0 329.352 2.477 50 0 EEAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000016842607 462990556 /nfs/dbraw/zinc/99/05/56/462990556.db2.gz DUKVGIJIUVSCEP-UHFFFAOYSA-N -1 0 343.792 2.349 50 0 EEAARM CCOc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2cncc(C)c2)cc1 ZINC000121837887 463203417 /nfs/dbraw/zinc/20/34/17/463203417.db2.gz ZKQXEPBFTOURLV-RUDMXATFSA-N -1 0 346.408 2.307 50 0 EEAARM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 ZINC000028196370 463218258 /nfs/dbraw/zinc/21/82/58/463218258.db2.gz GEAUMSNZARXEFC-UHFFFAOYSA-N -1 0 335.429 2.267 50 0 EEAARM Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000031864583 463356496 /nfs/dbraw/zinc/35/64/96/463356496.db2.gz UFEXYLPAAPWVLG-NSHDSACASA-N -1 0 331.397 2.450 50 0 EEAARM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000261735948 463844485 /nfs/dbraw/zinc/84/44/85/463844485.db2.gz SGUNRANGDUXZDM-RYUDHWBXSA-N -1 0 331.372 2.046 50 0 EEAARM O=C([O-])c1ccccc1CN1CCCn2nc([C@H](O)C3CC3)cc2C1 ZINC000221411439 464123630 /nfs/dbraw/zinc/12/36/30/464123630.db2.gz QYHMOCCDCOHFPB-GOSISDBHSA-N -1 0 341.411 2.431 50 0 EEAARM CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000670438873 485642022 /nfs/dbraw/zinc/64/20/22/485642022.db2.gz LWVGAIPEJBAVHL-ZDUSSCGKSA-N -1 0 336.779 2.221 50 0 EEAARM O=C([O-])[C@@H]1CN(c2ncccc2C(=O)N2CCCCC2)C[C@H]1C1CC1 ZINC000219571347 679404344 /nfs/dbraw/zinc/40/43/44/679404344.db2.gz ZOLVPSIPXDSDEW-JKSUJKDBSA-N -1 0 343.427 2.255 50 0 EEAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)c3ccco3)CC2)cn1 ZINC000072463570 1286344326 /nfs/dbraw/zinc/34/43/26/1286344326.db2.gz QKDNTWROKUAWCK-UHFFFAOYSA-N -1 0 330.340 2.121 50 0 EEAARM Cc1ncsc1CCN(C)C(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001506402004 1114596683 /nfs/dbraw/zinc/59/66/83/1114596683.db2.gz HXJOFZIEJIRKHR-UHFFFAOYSA-N -1 0 342.424 2.245 50 0 EEAARM COc1ccc(F)cc1[C@@H](C(=O)[O-])N(C)Cc1nncn1C(C)C ZINC001506419952 1114601957 /nfs/dbraw/zinc/60/19/57/1114601957.db2.gz NQPHEYDBSQFARI-HNNXBMFYSA-N -1 0 336.367 2.264 50 0 EEAARM Cc1cc(C(=O)[O-])nc(N2CCC[C@H](c3nc(CC(C)C)no3)C2)n1 ZINC001529114603 1121324329 /nfs/dbraw/zinc/32/43/29/1121324329.db2.gz QPNRVQNXJKEELE-LBPRGKRZSA-N -1 0 345.403 2.449 50 0 EEAARM CCOc1ccccc1CN(CC)Cc1cnc(NCC(=O)[O-])nc1 ZINC000055308869 214305404 /nfs/dbraw/zinc/30/54/04/214305404.db2.gz KIZWKKUSLYUZGP-UHFFFAOYSA-N -1 0 344.415 2.394 50 0 EEAARM O=C([O-])CCCn1cc(NC(=O)c2ccc(Br)o2)cn1 ZINC000004641434 210237606 /nfs/dbraw/zinc/23/76/06/210237606.db2.gz SMCQDWPTMMXASW-UHFFFAOYSA-N -1 0 342.149 2.356 50 0 EEAARM CC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000100573250 219101800 /nfs/dbraw/zinc/10/18/00/219101800.db2.gz KUBZIFSVJBPOFF-FUHWJXTLSA-N -1 0 347.374 2.318 50 0 EEAARM COc1cc([C@@H]2N[C@@H](C(=O)[O-])C(C)(C)S2)cc(OC)c1OC ZINC000004371006 210181972 /nfs/dbraw/zinc/18/19/72/210181972.db2.gz LDHMPQFIYHHUPO-QWHCGFSZSA-N -1 0 327.402 2.279 50 0 EEAARM Cc1cccc(NC(=O)c2sc3[nH]c(=O)c(C(=O)[O-])cc3c2N)c1 ZINC000003894939 210086741 /nfs/dbraw/zinc/08/67/41/210086741.db2.gz FATUDXRPUZPVFY-UHFFFAOYSA-N -1 0 343.364 2.431 50 0 EEAARM Cc1nn(CCOc2ncnc3sc(C(=O)[O-])c(C)c32)c(C)c1N ZINC000067855934 215233924 /nfs/dbraw/zinc/23/39/24/215233924.db2.gz FAVQUJQBFKWCJL-UHFFFAOYSA-N -1 0 347.400 2.172 50 0 EEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000002736423 209898705 /nfs/dbraw/zinc/89/87/05/209898705.db2.gz WIGQIDULJHGWQG-HZPDHXFCSA-N -1 0 332.375 2.141 50 0 EEAARM O=C([O-])[C@]1(NC(=O)c2sccc2Br)CCSC1 ZINC000104284408 219368844 /nfs/dbraw/zinc/36/88/44/219368844.db2.gz WXXNBUZJYYUODZ-JTQLQIEISA-N -1 0 336.232 2.201 50 0 EEAARM O=C(Nc1nc2ccccc2[nH]1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621333 304016077 /nfs/dbraw/zinc/01/60/77/304016077.db2.gz LGVDGZKYTVWTHZ-UHFFFAOYSA-N -1 0 346.346 2.392 50 0 EEAARM CCCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000001766798 209791871 /nfs/dbraw/zinc/79/18/71/209791871.db2.gz OYJXUAABDVJXMF-UHFFFAOYSA-N -1 0 336.373 2.236 50 0 EEAARM CCn1cc(Br)cc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000036856648 213123861 /nfs/dbraw/zinc/12/38/61/213123861.db2.gz ARSRJPORFQYEGI-SNVBAGLBSA-N -1 0 329.194 2.350 50 0 EEAARM O=C([O-])CCc1cc2n(n1)CCCN(CCOc1ccc(F)cc1)C2 ZINC000072447098 216237674 /nfs/dbraw/zinc/23/76/74/216237674.db2.gz HSLOCZWDCWTEQK-UHFFFAOYSA-N -1 0 347.390 2.324 50 0 EEAARM Cc1ocnc1C(=O)N1CCC(Oc2ccc(C)cc2)(C(=O)[O-])CC1 ZINC000072479687 216258149 /nfs/dbraw/zinc/25/81/49/216258149.db2.gz LEDLWQCJJJAWBF-UHFFFAOYSA-N -1 0 344.367 2.430 50 0 EEAARM COc1cc2c(cc1CN1CCc3c(c(C(=O)[O-])nn3C)C1)CCC2 ZINC000215048179 241103624 /nfs/dbraw/zinc/10/36/24/241103624.db2.gz BQKDWJLBMQVJAS-UHFFFAOYSA-N -1 0 341.411 2.174 50 0 EEAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)c2ccccc2O1 ZINC000013436787 304131263 /nfs/dbraw/zinc/13/12/63/304131263.db2.gz GTGNGJJLCORFKV-GUYCJALGSA-N -1 0 339.347 2.117 50 0 EEAARM COc1cc2c(cc1OC)C([O-])=C(S(=O)(=O)c1ccccc1)C2 ZINC000020744336 212168537 /nfs/dbraw/zinc/16/85/37/212168537.db2.gz WYCMZROXOUXXTQ-MRXNPFEDSA-N -1 0 332.377 2.285 50 0 EEAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2nc(-c3ccccc3)cs2)n1 ZINC000020614605 212155281 /nfs/dbraw/zinc/15/52/81/212155281.db2.gz UWIPMLKKJDWPJX-UHFFFAOYSA-N -1 0 328.353 2.494 50 0 EEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2c(c1)OCCO2 ZINC000013225292 304142230 /nfs/dbraw/zinc/14/22/30/304142230.db2.gz BOPLTMDGRYJEOL-UBHSHLNASA-N -1 0 331.368 2.316 50 0 EEAARM O=C([O-])[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000020362751 212122503 /nfs/dbraw/zinc/12/25/03/212122503.db2.gz CDFCZDZCVNWPTJ-CYBMUJFWSA-N -1 0 325.773 2.444 50 0 EEAARM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(C)on1 ZINC000011615696 211226479 /nfs/dbraw/zinc/22/64/79/211226479.db2.gz XNCOMQWDFYZUIA-UHFFFAOYSA-N -1 0 339.373 2.141 50 0 EEAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2 ZINC000009572778 211103057 /nfs/dbraw/zinc/10/30/57/211103057.db2.gz IUMYVUBKJKDUNV-UHFFFAOYSA-N -1 0 332.381 2.299 50 0 EEAARM COc1cccc(Cl)c1[C@H](C(=O)[O-])N(C)Cc1nnc(C)o1 ZINC000095382585 218315039 /nfs/dbraw/zinc/31/50/39/218315039.db2.gz QMIGYZKNKURDMK-CYBMUJFWSA-N -1 0 325.752 2.298 50 0 EEAARM Cc1ccc(S(=O)(=O)N2Cc3ccc(CC(=O)[O-])cc3C2)cc1 ZINC000008569651 210966492 /nfs/dbraw/zinc/96/64/92/210966492.db2.gz LMRMSVGFDRMVKU-UHFFFAOYSA-N -1 0 331.393 2.327 50 0 EEAARM O=C([O-])[C@H](Cc1ccncc1)NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000095516321 218422680 /nfs/dbraw/zinc/42/26/80/218422680.db2.gz XHQXWCWHPHKIMT-HNNXBMFYSA-N -1 0 328.343 2.064 50 0 EEAARM O=C([O-])[C@H](NC(=O)[C@H]1COc2ccccc21)c1ccc2c(c1)CCO2 ZINC000297246616 294191447 /nfs/dbraw/zinc/19/14/47/294191447.db2.gz ZQJVKYWJLRXDNZ-WMLDXEAASA-N -1 0 339.347 2.040 50 0 EEAARM Cc1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccccc2C)cc1 ZINC000005896427 301689801 /nfs/dbraw/zinc/68/98/01/301689801.db2.gz LXTWXVXVAAOUND-UHFFFAOYSA-N -1 0 335.454 2.483 50 0 EEAARM COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)cc(Br)c1OC ZINC000000070436 462540851 /nfs/dbraw/zinc/54/08/51/462540851.db2.gz FFMDVOVHWSCKHF-GZMMTYOYSA-N -1 0 348.218 2.255 50 0 EEAARM CCCCOc1ccc(S(=O)(=O)[N-]c2cnc(OC)nc2)cc1 ZINC000085557344 462552307 /nfs/dbraw/zinc/55/23/07/462552307.db2.gz FLMGCDUTRQPPLV-UHFFFAOYSA-N -1 0 337.401 2.465 50 0 EEAARM CC(C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C[C@@H]1CCCO1)c2=O ZINC000000425017 462561315 /nfs/dbraw/zinc/56/13/15/462561315.db2.gz NXTRZJZDJOYEEK-LBPRGKRZSA-N -1 0 347.440 2.002 50 0 EEAARM O=C(Nc1ncccc1O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001246837 462578581 /nfs/dbraw/zinc/57/85/81/462578581.db2.gz WSHLWGJIAMYTHV-UHFFFAOYSA-N -1 0 337.335 2.006 50 0 EEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c1 ZINC000001427070 462582985 /nfs/dbraw/zinc/58/29/85/462582985.db2.gz QEKGWMYPTOIIMC-UHFFFAOYSA-N -1 0 333.369 2.381 50 0 EEAARM Cc1ccc(S(=O)(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000001512989 462583865 /nfs/dbraw/zinc/58/38/65/462583865.db2.gz CVXQHFJLZDHQGX-OAHLLOKOSA-N -1 0 337.372 2.108 50 0 EEAARM Cc1ccc2[nH]c(SCC(=O)N3CCC(C(=O)[O-])CC3)nc2c1 ZINC000002629474 462597028 /nfs/dbraw/zinc/59/70/28/462597028.db2.gz CDBXHMZSCRTVGY-UHFFFAOYSA-N -1 0 333.413 2.287 50 0 EEAARM COc1cc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)c(C(C)=O)cc1OC ZINC000062001788 462605471 /nfs/dbraw/zinc/60/54/71/462605471.db2.gz OMVMCTYUTSSWGI-ZIAGYGMSSA-N -1 0 335.356 2.202 50 0 biogenic EEAARM C[C@H](CCc1ccco1)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000013089636 462884416 /nfs/dbraw/zinc/88/44/16/462884416.db2.gz ONCMSBQXEGGIJE-SNVBAGLBSA-N -1 0 341.360 2.417 50 0 EEAARM O=C([O-])c1ccccc1OCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000013411734 462891371 /nfs/dbraw/zinc/89/13/71/462891371.db2.gz OYZREQRJYJFTHX-CQSZACIVSA-N -1 0 327.336 2.404 50 0 EEAARM COc1ccc(CNC(=O)[C@H](C)Oc2ccccc2)cc1C(=O)[O-] ZINC000013393036 462891550 /nfs/dbraw/zinc/89/15/50/462891550.db2.gz LIWXPGMFWKKGCX-LBPRGKRZSA-N -1 0 329.352 2.477 50 0 EEAARM COc1ccc(C)cc1C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000013436690 462892943 /nfs/dbraw/zinc/89/29/43/462892943.db2.gz KYBPTWYHIKDJFB-INIZCTEOSA-N -1 0 327.336 2.496 50 0 EEAARM Cc1nc(C(C)C)sc1C(=O)NCCCc1nonc1C(=O)[O-] ZINC000095524054 463104087 /nfs/dbraw/zinc/10/40/87/463104087.db2.gz JCHQUDDOQSQPTI-UHFFFAOYSA-N -1 0 338.389 2.019 50 0 EEAARM O=C([O-])c1ccccc1CC(=O)Nc1n[nH]c(Cc2ccccc2)n1 ZINC000071284818 463413761 /nfs/dbraw/zinc/41/37/61/463413761.db2.gz 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210112158 /nfs/dbraw/zinc/11/21/58/210112158.db2.gz AAXWXHSVBJREDW-CYBMUJFWSA-N -1 0 347.367 2.027 50 0 biogenic EEAARM COc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000003893110 210085195 /nfs/dbraw/zinc/08/51/95/210085195.db2.gz JXIDVQVMTSURDF-OAHLLOKOSA-N -1 0 335.381 2.190 50 0 EEAARM Cc1cc(=O)n2[n-]cc(C(=O)Nc3ccc(Br)cc3)c2n1 ZINC000067225495 215125735 /nfs/dbraw/zinc/12/57/35/215125735.db2.gz XIOCZQZJNLQRJQ-UHFFFAOYSA-N -1 0 347.172 2.346 50 0 EEAARM CCCn1cnnc1CNc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000067956383 215261243 /nfs/dbraw/zinc/26/12/43/215261243.db2.gz MXWIJVZHXLLIDI-UHFFFAOYSA-N -1 0 332.389 2.312 50 0 EEAARM COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCCC1)cn2CCC(=O)[O-] ZINC000036366024 213090744 /nfs/dbraw/zinc/09/07/44/213090744.db2.gz BEHRYHPQCCHCKU-QGZVFWFLSA-N -1 0 346.383 2.346 50 0 EEAARM CCC[C@@H](NC(=O)c1cc2c(cc(OC)cc2OC)n1C)C(=O)[O-] ZINC000035686341 213047940 /nfs/dbraw/zinc/04/79/40/213047940.db2.gz BXDUTHVAJOEEHG-GFCCVEGCSA-N -1 0 334.372 2.179 50 0 EEAARM 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214329659 /nfs/dbraw/zinc/32/96/59/214329659.db2.gz NFNUCSJGTXTBAQ-UHFFFAOYSA-N -1 0 334.397 2.212 50 0 EEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000004064097 210111759 /nfs/dbraw/zinc/11/17/59/210111759.db2.gz GBJPXJZTSAZHJO-ZDUSSCGKSA-N -1 0 328.324 2.233 50 0 biogenic EEAARM CCn1c(=O)c2ccc(C(=O)N[C@H](C)[C@H]3CCCO3)cc2[n-]c1=S ZINC000102309723 219193770 /nfs/dbraw/zinc/19/37/70/219193770.db2.gz KLDJOFBHTXWMTN-QMTHXVAHSA-N -1 0 347.440 2.002 50 0 EEAARM O=C([O-])CCCn1cc(NC(=O)c2cc3ccccc3oc2=O)cn1 ZINC000001430639 304051823 /nfs/dbraw/zinc/05/18/23/304051823.db2.gz JHENJAUVBYGEQE-UHFFFAOYSA-N -1 0 341.323 2.107 50 0 EEAARM CSCC[C@@H](NC(=O)CCn1ccc2ccc(F)cc21)C(=O)[O-] ZINC000036569515 213100895 /nfs/dbraw/zinc/10/08/95/213100895.db2.gz LVLHTKBUECRGCS-CYBMUJFWSA-N -1 0 338.404 2.493 50 0 EEAARM CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-] ZINC000034173541 212975343 /nfs/dbraw/zinc/97/53/43/212975343.db2.gz IMYCFTBQVUCEKW-LBPRGKRZSA-N -1 0 325.162 2.062 50 0 EEAARM Cc1cc(CC(=O)N2CC[C@@H](Cc3cccc(C(=O)[O-])c3)C2)on1 ZINC000072172491 216063108 /nfs/dbraw/zinc/06/31/08/216063108.db2.gz YXKBVUKJWQFCIZ-AWEZNQCLSA-N -1 0 328.368 2.315 50 0 EEAARM O=C([O-])C1(n2cccn2)CCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC000072429750 216221925 /nfs/dbraw/zinc/22/19/25/216221925.db2.gz CVBNZXIBHOFCLM-UHFFFAOYSA-N -1 0 345.374 2.057 50 0 EEAARM C/C=C/CC(=O)N1CCC(Oc2ccccc2OC)(C(=O)[O-])CC1 ZINC000072479432 216259135 /nfs/dbraw/zinc/25/91/35/216259135.db2.gz XEGKMZNAUJGKCQ-ONEGZZNKSA-N -1 0 333.384 2.486 50 0 EEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nnc(-c2ccncc2)s1 ZINC000035683944 304107095 /nfs/dbraw/zinc/10/70/95/304107095.db2.gz QEAFEEQTIGQTDP-WDEREUQCSA-N -1 0 332.385 2.430 50 0 EEAARM COc1ncc([N-]S(=O)(=O)c2ccccc2Cl)c(N(C)C)n1 ZINC000207982414 241063373 /nfs/dbraw/zinc/06/33/73/241063373.db2.gz TWBVXISJAPWCGO-UHFFFAOYSA-N -1 0 342.808 2.005 50 0 EEAARM COc1ccc(CN(C)C(=O)N[C@H](C(=O)[O-])C(C)C)c2cccnc12 ZINC000426544703 241306307 /nfs/dbraw/zinc/30/63/07/241306307.db2.gz 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ZINC000004808026 210281652 /nfs/dbraw/zinc/28/16/52/210281652.db2.gz CXRNMPSJAGTMHE-UHFFFAOYSA-N -1 0 346.368 2.303 50 0 EEAARM COC(=O)c1cn([C@H](CC(=O)[O-])c2ccsc2)cc2c(=O)[nH]nc1-2 ZINC000524734469 257842233 /nfs/dbraw/zinc/84/22/33/257842233.db2.gz ICWZDSSOFZUSTB-LLVKDONJSA-N -1 0 347.352 2.001 50 0 EEAARM COc1ccc(-c2cc(C(=O)[O-])cc(-n3cnnn3)c2)cc1OC ZINC000299765509 258081100 /nfs/dbraw/zinc/08/11/00/258081100.db2.gz NTRNIGGRRVWQTM-UHFFFAOYSA-N -1 0 326.312 2.045 50 0 EEAARM Cc1cc(Br)cc2cc(C(=O)[N-]S(C)(=O)=O)oc21 ZINC000122301700 222056891 /nfs/dbraw/zinc/05/68/91/222056891.db2.gz MUVCDIKVCJSUEB-UHFFFAOYSA-N -1 0 332.175 2.193 50 0 EEAARM C[C@@]1(C(=O)Nc2cccc(C(=O)[O-])c2)Cc2ccccc2C(=O)O1 ZINC000008764230 297874595 /nfs/dbraw/zinc/87/45/95/297874595.db2.gz ZOQVIHLVZBVWNR-SFHVURJKSA-N -1 0 325.320 2.495 50 0 biogenic EEAARM Cc1nn(C)cc1[C@H]1C[C@H](C(F)(F)F)n2nc(C(=O)[O-])cc2N1 ZINC000000039412 462540607 /nfs/dbraw/zinc/54/06/07/462540607.db2.gz GYUJVZMKFLVFAV-PSASIEDQSA-N -1 0 329.282 2.284 50 0 EEAARM CCOC(=O)c1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])nc1C ZINC000000178904 462545223 /nfs/dbraw/zinc/54/52/23/462545223.db2.gz WGCWCSLPWMAEIY-UWVGGRQHSA-N -1 0 338.385 2.234 50 0 EEAARM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000000166144 462545859 /nfs/dbraw/zinc/54/58/59/462545859.db2.gz RCGHLRLGTZRRKK-ZDUSSCGKSA-N -1 0 325.773 2.444 50 0 EEAARM COc1cnc(SC)nc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000406526 462559132 /nfs/dbraw/zinc/55/91/32/462559132.db2.gz JCMDAHCPOPZCGO-UHFFFAOYSA-N -1 0 325.415 2.316 50 0 EEAARM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000001031577 462576931 /nfs/dbraw/zinc/57/69/31/462576931.db2.gz OTCPGLWPVGCKNJ-UHFFFAOYSA-N -1 0 334.401 2.324 50 0 EEAARM CCOC(=O)[C@@](NC(=O)CC)(Nc1ccccc1OC)C(F)(F)F ZINC000001856270 462587188 /nfs/dbraw/zinc/58/71/88/462587188.db2.gz WZXXNPYPOLXNDD-AWEZNQCLSA-N -1 0 348.321 2.455 50 0 EEAARM COc1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000007052982 462719800 /nfs/dbraw/zinc/71/98/00/462719800.db2.gz ZNKBQUGKTLBMNY-UHFFFAOYSA-N -1 0 325.317 2.333 50 0 EEAARM COc1ccccc1OCC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000013224345 462887926 /nfs/dbraw/zinc/88/79/26/462887926.db2.gz JJMOPYCTCZAMJY-CQSZACIVSA-N -1 0 329.352 2.406 50 0 EEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc(-n2cccn2)cc1 ZINC000013259915 462887952 /nfs/dbraw/zinc/88/79/52/462887952.db2.gz BEZCATRJPPXDEC-KRWDZBQOSA-N -1 0 335.363 2.298 50 0 EEAARM CCCNC(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000013466758 462894415 /nfs/dbraw/zinc/89/44/15/462894415.db2.gz OSSOBCZTFPPXPR-STQMWFEESA-N -1 0 330.384 2.432 50 0 EEAARM Cc1cc(C)n(CC(=O)n2cc(C(=O)c3cc(F)ccc3[O-])cn2)n1 ZINC000014166291 462915756 /nfs/dbraw/zinc/91/57/56/462915756.db2.gz AZCDOFFJJKFMRQ-UHFFFAOYSA-N -1 0 342.330 2.113 50 0 EEAARM COCc1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000026547350 463166535 /nfs/dbraw/zinc/16/65/35/463166535.db2.gz INXRHYPIEIPXJE-UHFFFAOYSA-N -1 0 339.344 2.471 50 0 EEAARM COc1cccc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1 ZINC000033114671 463413098 /nfs/dbraw/zinc/41/30/98/463413098.db2.gz LOVQXEHKQXNFTM-CABCVRRESA-N -1 0 340.314 2.332 50 0 EEAARM COc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000126820965 463665201 /nfs/dbraw/zinc/66/52/01/463665201.db2.gz IFCRVZVFINMPOF-SECBINFHSA-N -1 0 342.189 2.395 50 0 EEAARM C[N@H+](CCC(=O)Nc1ccsc1C(=O)[O-])Cc1[nH]nc2c1CCC2 ZINC000252482180 464960682 /nfs/dbraw/zinc/96/06/82/464960682.db2.gz DACKPRNGQQNGIV-UHFFFAOYSA-N -1 0 348.428 2.119 50 0 EEAARM Cc1n[nH]cc1S(=O)(=O)[N-]C(=O)C1CCC(c2ccccc2)CC1 ZINC000585136096 468987519 /nfs/dbraw/zinc/98/75/19/468987519.db2.gz PRKWGOVFIPBFHJ-UHFFFAOYSA-N -1 0 347.440 2.497 50 0 EEAARM O=C([O-])[C@]12COC[C@H]1CN(c1ncc(C(F)(F)F)cc1Cl)C2 ZINC000662882870 472290377 /nfs/dbraw/zinc/29/03/77/472290377.db2.gz IFSNCYGKDJNNEG-PRHODGIISA-N -1 0 336.697 2.291 50 0 EEAARM O=C([O-])[C@@]12CN(C(=O)CCCc3ccc(F)cc3)C[C@@H]1COCC2 ZINC001772701421 1179283880 /nfs/dbraw/zinc/28/38/80/1179283880.db2.gz LMYWQFGUFVIQTK-KDOFPFPSSA-N -1 0 335.375 2.098 50 0 EEAARM O=C([O-])c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 ZINC000067946325 1250209299 /nfs/dbraw/zinc/20/92/99/1250209299.db2.gz LNQOYEZDHXJQOA-QPJJXVBHSA-N -1 0 327.384 2.204 50 0 EEAARM CN(C)CC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000952983844 796148097 /nfs/dbraw/zinc/14/80/97/796148097.db2.gz YBDGGVQACMUCNR-UHFFFAOYSA-N -1 0 341.367 2.137 50 0 EEAARM Cc1ccc(-c2nc(CN3CCC[C@@H]3c3n[nH]c(=O)[n-]3)c(C)o2)o1 ZINC000012298007 800836337 /nfs/dbraw/zinc/83/63/37/800836337.db2.gz PITSLIILBSEDEE-GFCCVEGCSA-N -1 0 329.360 2.300 50 0 EEAARM Cc1cc(C(=O)[O-])nc(N2CCC(c3nc(C(C)C)no3)CC2)n1 ZINC001529189968 1121364199 /nfs/dbraw/zinc/36/41/99/1121364199.db2.gz CFAQGKRKMSBSPJ-UHFFFAOYSA-N -1 0 331.376 2.374 50 0 EEAARM COc1ncccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000055617909 214334537 /nfs/dbraw/zinc/33/45/37/214334537.db2.gz KOGFCLFPQGOVSA-UHFFFAOYSA-N -1 0 347.396 2.166 50 0 EEAARM CC[C@H](NC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-] ZINC000004060879 210110784 /nfs/dbraw/zinc/11/07/84/210110784.db2.gz XOFZVSUIHXJIHC-ZDUSSCGKSA-N -1 0 347.367 2.027 50 0 biogenic EEAARM CCOC(=O)C1CCN(C(=O)CC2(CC(=O)[O-])CCCC2)CC1 ZINC000003230496 209982820 /nfs/dbraw/zinc/98/28/20/209982820.db2.gz AIBJTDJJIVQWDN-UHFFFAOYSA-N -1 0 325.405 2.213 50 0 EEAARM CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000038085783 213200795 /nfs/dbraw/zinc/20/07/95/213200795.db2.gz CXRVEXOLFFBOKC-SNVBAGLBSA-N -1 0 335.219 2.127 50 0 EEAARM COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000036293928 213082431 /nfs/dbraw/zinc/08/24/31/213082431.db2.gz OPOUZKSSFMAHDO-NSHDSACASA-N -1 0 335.381 2.114 50 0 EEAARM COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@H](c1cccnc1)N(C)C2=O ZINC000000211538 209486908 /nfs/dbraw/zinc/48/69/08/209486908.db2.gz RXUFHJXDTXEYER-CVEARBPZSA-N -1 0 342.351 2.094 50 0 EEAARM CCn1ncnc1CN1CCC(Oc2cccc(C)c2)(C(=O)[O-])CC1 ZINC000072436562 216232226 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COc1ccc(-c2nc(N3CCSCC3)ncc2C(=O)[O-])cc1 ZINC000169751156 564100006 /nfs/dbraw/zinc/10/00/06/564100006.db2.gz IWIWLUMWKBSSHX-UHFFFAOYSA-N -1 0 331.397 2.404 50 0 EEAARM COc1ccccc1C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000105766601 1204894023 /nfs/dbraw/zinc/89/40/23/1204894023.db2.gz FUAHPHBGANYDHQ-UHFFFAOYSA-N -1 0 346.408 2.123 50 0 EEAARM Cc1cccc([C@@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C(=O)[O-])c1 ZINC001506429531 1114604668 /nfs/dbraw/zinc/60/46/68/1114604668.db2.gz UCYSXRFSZXCMMR-CQSZACIVSA-N -1 0 337.335 2.200 50 0 EEAARM CS(=O)(=O)c1ccc(CN2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000097822935 219058731 /nfs/dbraw/zinc/05/87/31/219058731.db2.gz JSRRUGHUEARKJK-CQSZACIVSA-N -1 0 325.430 2.309 50 0 EEAARM C/C(=C/C(=O)[O-])C(=O)Nc1ccc(I)cc1 ZINC000004263908 210155019 /nfs/dbraw/zinc/15/50/19/210155019.db2.gz NAZLIKAZAAHRPV-SREVYHEPSA-N -1 0 331.109 2.261 50 0 EEAARM COc1cccc(-n2c(SCC(=O)[O-])nnc2C2CCOCC2)c1 ZINC000065374972 214880573 /nfs/dbraw/zinc/88/05/73/214880573.db2.gz 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ZINC000072421666 216210683 /nfs/dbraw/zinc/21/06/83/216210683.db2.gz OHHRAKRKZQBESP-ZDUSSCGKSA-N -1 0 329.352 2.175 50 0 EEAARM Cc1ccnn1CCC(=O)N1CC[C@@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072432196 216225993 /nfs/dbraw/zinc/22/59/93/216225993.db2.gz ZDVBSRLLVPXQLZ-INIZCTEOSA-N -1 0 341.411 2.371 50 0 EEAARM CCCOCC(=O)N1CCC(Oc2ccccc2F)(C(=O)[O-])CC1 ZINC000072447220 216237208 /nfs/dbraw/zinc/23/72/08/216237208.db2.gz SLNHDAHPUCUFDP-UHFFFAOYSA-N -1 0 339.363 2.077 50 0 EEAARM COC(=O)C[C@H](c1ccccc1F)c1c(=O)nc2ccccn2c1[O-] ZINC000205969184 241042506 /nfs/dbraw/zinc/04/25/06/241042506.db2.gz LNJMNSSPZXEEAR-GFCCVEGCSA-N -1 0 342.326 2.234 50 0 EEAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(F)ccc2OC)C1 ZINC000091288607 217989910 /nfs/dbraw/zinc/98/99/10/217989910.db2.gz GIOSGJVFMQSTMK-QGZVFWFLSA-N -1 0 339.363 2.178 50 0 EEAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)CCCO3)C1 ZINC000091644970 218038615 /nfs/dbraw/zinc/03/86/15/218038615.db2.gz OYVAEUFDGLKKGB-IBGZPJMESA-N -1 0 347.411 2.355 50 0 EEAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc(F)c(F)c2)C1 ZINC000091676719 218045415 /nfs/dbraw/zinc/04/54/15/218045415.db2.gz MQZCANVTUJTAKB-QGZVFWFLSA-N -1 0 341.354 2.237 50 0 EEAARM O=C([O-])c1n[nH]cc1[C@@H]1CC(=O)Nc2n[nH]c(-c3cccs3)c21 ZINC000067741001 304216431 /nfs/dbraw/zinc/21/64/31/304216431.db2.gz MWFAWHZRIFCKGC-LURJTMIESA-N -1 0 329.341 2.034 50 0 EEAARM O=C(OCc1cc(=O)oc2cc([O-])c(Cl)cc12)c1cnccn1 ZINC000009513383 211095844 /nfs/dbraw/zinc/09/58/44/211095844.db2.gz RBNGELDBWCKDNL-UHFFFAOYSA-N -1 0 332.699 2.299 50 0 EEAARM CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000009467927 211086974 /nfs/dbraw/zinc/08/69/74/211086974.db2.gz BFQBFYBBVYSVNS-UHFFFAOYSA-N -1 0 326.324 2.125 50 0 EEAARM COc1ccc([C@@H](C(=O)[O-])N2CCN(c3cccc(C)n3)CC2)cc1 ZINC000095354897 218288653 /nfs/dbraw/zinc/28/86/53/218288653.db2.gz QMZRGPXMOMUAAM-SFHVURJKSA-N -1 0 341.411 2.347 50 0 EEAARM Cc1cccnc1CN1CCN([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC000095374029 218306883 /nfs/dbraw/zinc/30/68/83/218306883.db2.gz IHMXEOXPNPRANN-INIZCTEOSA-N -1 0 331.441 2.395 50 0 EEAARM Cn1nccc1CCC(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095381286 218313615 /nfs/dbraw/zinc/31/36/15/218313615.db2.gz KAKSAORCHMUTCU-INIZCTEOSA-N -1 0 341.411 2.457 50 0 EEAARM CC(C)[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000096033030 218517335 /nfs/dbraw/zinc/51/73/35/218517335.db2.gz WZPHDGLGTAIHHD-AWEZNQCLSA-N -1 0 339.823 2.281 50 0 EEAARM COC(=O)CCC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000004772861 210275296 /nfs/dbraw/zinc/27/52/96/210275296.db2.gz GPFHJVUUQWGGRK-UHFFFAOYSA-N -1 0 330.134 2.039 50 0 EEAARM Cc1ccsc1[C@@]1(C(=O)N2CCC(O)(C(=O)[O-])CC2)CC1(C)C ZINC000071748047 302312269 /nfs/dbraw/zinc/31/22/69/302312269.db2.gz IPRKEKKJJRBZQX-QGZVFWFLSA-N -1 0 337.441 2.162 50 0 EEAARM COc1cccc(C[C@@H](C(=O)Nc2ccccc2C)c2nnn[n-]2)c1 ZINC000000418765 462560212 /nfs/dbraw/zinc/56/02/12/462560212.db2.gz KJKSNLIXWCGNFR-OAHLLOKOSA-N -1 0 337.383 2.482 50 0 EEAARM CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC(=O)[O-])ccc12 ZINC000002100506 462588842 /nfs/dbraw/zinc/58/88/42/462588842.db2.gz PTEFSDJFCNHWNI-NSHDSACASA-N -1 0 347.367 2.104 50 0 biogenic EEAARM CSc1nc2ncc(C(=O)c3cc(F)ccc3[O-])cc2c(=O)[nH]1 ZINC000002661548 462599828 /nfs/dbraw/zinc/59/98/28/462599828.db2.gz HPWMQXQWZQBANO-UHFFFAOYSA-N -1 0 331.328 2.116 50 0 EEAARM C=C1[NH+]=C(SCC(=O)[O-])N[C@H](c2ccccc2)C1C(=O)OCC ZINC000003882190 462624618 /nfs/dbraw/zinc/62/46/18/462624618.db2.gz PIXSYPRIZYBGET-CQSZACIVSA-N -1 0 334.397 2.342 50 0 EEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)c(C)c1 ZINC000012652536 462862407 /nfs/dbraw/zinc/86/24/07/462862407.db2.gz HDXCLMOJAOMQOA-UHFFFAOYSA-N -1 0 348.428 2.263 50 0 EEAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccccn1 ZINC000012841499 462872306 /nfs/dbraw/zinc/87/23/06/462872306.db2.gz XRNYKXLPYIXSFG-CJNGLKHVSA-N -1 0 346.408 2.457 50 0 EEAARM COc1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000013068633 462883521 /nfs/dbraw/zinc/88/35/21/462883521.db2.gz BBENOGGDENELSI-UHFFFAOYSA-N -1 0 335.381 2.214 50 0 EEAARM NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)CCC(=O)[O-] ZINC000017068293 462993661 /nfs/dbraw/zinc/99/36/61/462993661.db2.gz ARZVNFVJTVZBCA-UHFFFAOYSA-N -1 0 332.381 2.241 50 0 EEAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000067850560 463057839 /nfs/dbraw/zinc/05/78/39/463057839.db2.gz UOWHGDACRTXKHB-CHGJFTSJSA-N -1 0 331.416 2.485 50 0 EEAARM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCCc1cccs1 ZINC000025058210 463108879 /nfs/dbraw/zinc/10/88/79/463108879.db2.gz DHWXMKNZGPEJNE-UHFFFAOYSA-N -1 0 342.417 2.231 50 0 EEAARM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cn3)cc2o1 ZINC000028247950 463220769 /nfs/dbraw/zinc/22/07/69/463220769.db2.gz GGTVYXHXPHERQQ-UHFFFAOYSA-N -1 0 325.733 2.383 50 0 EEAARM Cc1ccc(NCc2nn3c([n-]2)nc2c(c3=O)CCC2)cc1Cl ZINC000101803526 463383234 /nfs/dbraw/zinc/38/32/34/463383234.db2.gz ZRZAGRXTZPPSEB-UHFFFAOYSA-N -1 0 329.791 2.480 50 0 EEAARM CCOc1ccc(-c2nnc(CCC(=O)N[C@@H](C)CC)c(=O)[n-]2)cc1 ZINC000034762872 463428398 /nfs/dbraw/zinc/42/83/98/463428398.db2.gz BIRZIKBIIKRHDI-LBPRGKRZSA-N -1 0 344.415 2.490 50 0 EEAARM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cnccn1 ZINC000125958770 463594444 /nfs/dbraw/zinc/59/44/44/463594444.db2.gz CCHFFPYGXQXUOV-UHFFFAOYSA-N -1 0 328.191 2.348 50 0 EEAARM Cc1cc([O-])c(C2=Nc3ncnn3[C@H](c3cccc(O)c3)C2)c(=O)o1 ZINC000170625872 463685788 /nfs/dbraw/zinc/68/57/88/463685788.db2.gz MBDKHVCRPCOJRH-ZDUSSCGKSA-N -1 0 338.323 2.065 50 0 EEAARM CCCc1cc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)no1 ZINC000240499975 464446505 /nfs/dbraw/zinc/44/65/05/464446505.db2.gz NPXVQUHGETUYAM-GOSISDBHSA-N -1 0 328.368 2.496 50 0 EEAARM Cc1noc(C)c1S(=O)(=O)NCC[C@@H](CCO)c1ccsc1 ZINC000575607396 468146762 /nfs/dbraw/zinc/14/67/62/468146762.db2.gz LIXMHCMVRHVKDQ-LBPRGKRZSA-N -1 0 344.458 2.188 50 0 EEAARM CC(C)(CCC(=O)[O-])C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000585134233 468984807 /nfs/dbraw/zinc/98/48/07/468984807.db2.gz JGCYWDWJQGXYOJ-UHFFFAOYSA-N -1 0 338.448 2.129 50 0 EEAARM C=CCn1c(=O)c(C(=O)NCc2ccccn2)c([O-])c2ccccc21 ZINC000005685799 1179381445 /nfs/dbraw/zinc/38/14/45/1179381445.db2.gz IRXGDIBMBUPRQX-UHFFFAOYSA-N -1 0 335.363 2.218 50 0 EEAARM C[C@@H](c1ccccc1)n1c(Cn2ccnc2)nnc1SCC(=O)[O-] ZINC000067909931 1250171808 /nfs/dbraw/zinc/17/18/08/1250171808.db2.gz ZXHHEFYCDBBONZ-LBPRGKRZSA-N -1 0 343.412 2.309 50 0 EEAARM COc1ccc(OC)c([C@@H](C(=O)[O-])N2CC(c3ccncc3)C2)c1 ZINC001529152347 1121342217 /nfs/dbraw/zinc/34/22/17/1121342217.db2.gz KIXVDZWOUHUCRK-KRWDZBQOSA-N -1 0 328.368 2.324 50 0 EEAARM O=C([O-])C[C@@H](NC(=O)Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000004720689 210259125 /nfs/dbraw/zinc/25/91/25/210259125.db2.gz ZWFGSSNMZCRVQP-CQSZACIVSA-N -1 0 327.336 2.290 50 0 EEAARM Cc1ccc(S(=O)(=O)C=C([O-])c2ccc3c(c2)OCCO3)cc1 ZINC000004389244 210185861 /nfs/dbraw/zinc/18/58/61/210185861.db2.gz BKPQMVPBWSGSLE-UHFFFAOYSA-N -1 0 332.377 2.423 50 0 EEAARM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccccn1 ZINC000102167593 219188490 /nfs/dbraw/zinc/18/84/90/219188490.db2.gz FTMJFTFNTSSYJW-JTQLQIEISA-N -1 0 340.408 2.108 50 0 EEAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000003402027 210028609 /nfs/dbraw/zinc/02/86/09/210028609.db2.gz MYLIOJBUAHYKAP-UHFFFAOYSA-N -1 0 326.761 2.322 50 0 EEAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1C(N)=O ZINC000002766907 209906485 /nfs/dbraw/zinc/90/64/85/209906485.db2.gz FLVXSHGBCSLTLK-GHMZBOCLSA-N -1 0 336.413 2.323 50 0 EEAARM CC(C)(C)OC(=O)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002517120 209862179 /nfs/dbraw/zinc/86/21/79/209862179.db2.gz RJOJSMIZZYHNQG-JTQLQIEISA-N -1 0 332.397 2.269 50 0 EEAARM COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCCCC1)cn2CC(=O)[O-] ZINC000036357629 213089160 /nfs/dbraw/zinc/08/91/60/213089160.db2.gz WSXOFHHZHDTXQS-KRWDZBQOSA-N -1 0 346.383 2.346 50 0 EEAARM CCc1ocnc1C(=O)N1CCC(Oc2ccccc2)(C(=O)[O-])CC1 ZINC000072411872 216204187 /nfs/dbraw/zinc/20/41/87/216204187.db2.gz BQUUZOFGVUXWDX-UHFFFAOYSA-N -1 0 344.367 2.375 50 0 EEAARM O=C([O-])C1(n2cnc3ccccc32)CCN(C(=O)c2ccoc2)CC1 ZINC000072436274 216230927 /nfs/dbraw/zinc/23/09/27/216230927.db2.gz MFDRADPIFAAWPJ-UHFFFAOYSA-N -1 0 339.351 2.345 50 0 EEAARM Cn1nc(C(=O)[O-])c2c1CCN(Cc1ccc(-c3cc[nH]n3)s1)C2 ZINC000215095310 241106070 /nfs/dbraw/zinc/10/60/70/241106070.db2.gz RWLGUJTVXRGYMZ-UHFFFAOYSA-N -1 0 343.412 2.128 50 0 EEAARM Cc1cccc([C@@H](NC(=O)c2scc3c2OCCO3)C(=O)[O-])c1 ZINC000426527693 241305161 /nfs/dbraw/zinc/30/51/61/241305161.db2.gz GKKWOEYJIHNPPG-GFCCVEGCSA-N -1 0 333.365 2.383 50 0 EEAARM Cc1sc2[n-]c(=S)n(CCN3CCOCC3)c(=O)c2c1C ZINC000020312770 212118008 /nfs/dbraw/zinc/11/80/08/212118008.db2.gz ZDVJJGNVAREDQM-UHFFFAOYSA-N -1 0 325.459 2.070 50 0 EEAARM COc1ccc(CN2Cc3cc(C(=O)[O-])ccc3OCC2=O)cc1 ZINC000085345160 217660165 /nfs/dbraw/zinc/66/01/65/217660165.db2.gz BKKIPQVMWOVVJG-UHFFFAOYSA-N -1 0 327.336 2.315 50 0 EEAARM COc1cccc([C@@H]2CN(C(=O)c3csc(C)n3)C[C@H]2C(=O)[O-])c1 ZINC000091873284 218081596 /nfs/dbraw/zinc/08/15/96/218081596.db2.gz SEWQZTGUXXTGIV-UONOGXRCSA-N -1 0 346.408 2.401 50 0 EEAARM CC(=O)NCCCC(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095365267 218298237 /nfs/dbraw/zinc/29/82/37/218298237.db2.gz DKAASHVEVQCWNC-MRXNPFEDSA-N -1 0 332.400 2.007 50 0 EEAARM O=C([O-])c1ccc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)cc1 ZINC000003362964 304231467 /nfs/dbraw/zinc/23/14/67/304231467.db2.gz CDGYDJCIKKOXOF-NTUHNPAUSA-N -1 0 337.287 2.458 50 0 EEAARM CCN1CCN([C@@H](c2ccco2)c2sc3nc(C)nn3c2[O-])CC1 ZINC000022459035 285332697 /nfs/dbraw/zinc/33/26/97/285332697.db2.gz OGNBYAQVPNUNQW-ZDUSSCGKSA-N -1 0 347.444 2.125 50 0 EEAARM O=C(Cc1c(=O)[nH]c2ccccc2c1[O-])NCc1cccc(F)c1 ZINC000018143600 258056792 /nfs/dbraw/zinc/05/67/92/258056792.db2.gz FAQNXGMNIPOCQZ-UHFFFAOYSA-N -1 0 326.327 2.232 50 0 EEAARM CC(C)c1cc(C(=O)N2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)cs1 ZINC000299756195 258074998 /nfs/dbraw/zinc/07/49/98/258074998.db2.gz JMJKMMSUSBLWOQ-CMPLNLGQSA-N -1 0 348.428 2.320 50 0 EEAARM 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EEAARM Cc1nc(C(C)C)sc1C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000095526720 463103232 /nfs/dbraw/zinc/10/32/32/463103232.db2.gz KXRHWUFZQDUWBW-LBPRGKRZSA-N -1 0 333.413 2.396 50 0 EEAARM CCCn1ncc(C(=O)NCCc2nc(C)c(C(=O)[O-])s2)c1C ZINC000095525474 463103778 /nfs/dbraw/zinc/10/37/78/463103778.db2.gz SRQQFMJVAZMSDQ-UHFFFAOYSA-N -1 0 336.417 2.037 50 0 EEAARM CC(C)(C)[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1cccs1 ZINC000101005078 463376206 /nfs/dbraw/zinc/37/62/06/463376206.db2.gz CTVOFPLWJGUAST-ZDUSSCGKSA-N -1 0 345.428 2.036 50 0 EEAARM CCc1nnc(-c2ccc(O)c(NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)c2)o1 ZINC000071284492 463412897 /nfs/dbraw/zinc/41/28/97/463412897.db2.gz HKSADCHWJGVUSA-QWHCGFSZSA-N -1 0 345.355 2.300 50 0 EEAARM COc1cc2cc(OC)cc3c2c(c1)C(=O)N(CCCC(=O)[O-])C3=O ZINC000073658795 463640179 /nfs/dbraw/zinc/64/01/79/463640179.db2.gz FANIBWIIDFCIMG-UHFFFAOYSA-N -1 0 343.335 2.318 50 0 EEAARM COc1cc2c(cc1OC)CN(c1ccc(C(=O)[O-])cc1)C(=O)C2 ZINC000022146050 676029248 /nfs/dbraw/zinc/02/92/48/676029248.db2.gz UJIZHUHVLOCDCL-UHFFFAOYSA-N -1 0 327.336 2.491 50 0 EEAARM CCN1C[C@@H](CN(C)c2noc(-c3ccccc3)c2C(=O)[O-])CC1=O ZINC001772700541 1179281562 /nfs/dbraw/zinc/28/15/62/1179281562.db2.gz GMTIFQVNYFTXMP-GFCCVEGCSA-N -1 0 343.383 2.344 50 0 EEAARM CC(C)c1ccc(CC(=O)N2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)cc1 ZINC001772706655 1179294948 /nfs/dbraw/zinc/29/49/48/1179294948.db2.gz KMASAFSMIOBQOG-APWZRJJASA-N -1 0 331.412 2.302 50 0 EEAARM CC[C@H](C(=O)N1CCC(C(=O)[O-])(n2cc(C)cn2)CC1)n1cccc1 ZINC000072454321 1253497533 /nfs/dbraw/zinc/49/75/33/1253497533.db2.gz MMODLDOYUVZIOC-OAHLLOKOSA-N -1 0 344.415 2.047 50 0 EEAARM O=C([O-])[C@H]1COCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC001772809497 1410370554 /nfs/dbraw/zinc/37/05/54/1410370554.db2.gz CDZMCVVUZDBGMQ-MRXNPFEDSA-N -1 0 342.395 2.194 50 0 EEAARM Cc1ccc(NCCCNC(=O)c2cc(O)cc(C(=O)[O-])c2)nc1 ZINC000828909930 800872215 /nfs/dbraw/zinc/87/22/15/800872215.db2.gz QCDPIEQOPNFJRG-UHFFFAOYSA-N -1 0 329.356 2.026 50 0 EEAARM COc1cccc(OC)c1[C@H](C(=O)[O-])N1CC(c2ccncc2)C1 ZINC001529167962 1121350883 /nfs/dbraw/zinc/35/08/83/1121350883.db2.gz UFQHQOPVJZDMHS-QGZVFWFLSA-N -1 0 328.368 2.324 50 0 EEAARM CCC(=O)c1ccc(OCC(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC000055036028 214265418 /nfs/dbraw/zinc/26/54/18/214265418.db2.gz MWROAMHANOCENC-LBPRGKRZSA-N -1 0 347.289 2.180 50 0 EEAARM CCOC(=O)c1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])nc1C ZINC000004638008 210235321 /nfs/dbraw/zinc/23/53/21/210235321.db2.gz UIKCOPIIIRATGX-VHSXEESVSA-N -1 0 340.401 2.458 50 0 EEAARM O=C(NCCc1ccccc1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621241 219102888 /nfs/dbraw/zinc/10/28/88/219102888.db2.gz SNJUCAVBVLXDLD-UHFFFAOYSA-N -1 0 334.375 2.236 50 0 biogenic EEAARM COc1ccc2c(cc(C(=O)N[C@@H](CCSC)C(=O)[O-])n2C)c1 ZINC000004000255 210098788 /nfs/dbraw/zinc/09/87/88/210098788.db2.gz DIADKULYCQXBOP-LBPRGKRZSA-N -1 0 336.413 2.123 50 0 biogenic EEAARM COc1cccc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1 ZINC000102818745 219232694 /nfs/dbraw/zinc/23/26/94/219232694.db2.gz LOVQXEHKQXNFTM-HUUCEWRRSA-N -1 0 340.314 2.332 50 0 EEAARM C[C@H](c1nnc(SCC(=O)[O-])n1-c1ccccc1)n1ccnc1 ZINC000067934906 215252504 /nfs/dbraw/zinc/25/25/04/215252504.db2.gz HDKMOTQUECYUJE-LLVKDONJSA-N -1 0 329.385 2.250 50 0 EEAARM O=C([O-])CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000003308194 304073249 /nfs/dbraw/zinc/07/32/49/304073249.db2.gz ORDUAXVHGGNNRB-LBPRGKRZSA-N -1 0 337.376 2.440 50 0 EEAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)CCc2ccccc2F)CC1 ZINC000072474035 216251958 /nfs/dbraw/zinc/25/19/58/216251958.db2.gz RURRVZSMFKZXLI-UHFFFAOYSA-N -1 0 345.374 2.057 50 0 EEAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1ccc(SC(F)F)cc1 ZINC000023117965 212349290 /nfs/dbraw/zinc/34/92/90/212349290.db2.gz WJJUQBPRDUOMMK-UHFFFAOYSA-N -1 0 341.339 2.292 50 0 EEAARM Cc1cc(C)n(-c2cccc(CN(C)C(=O)N[C@@H](C)C(=O)[O-])c2)n1 ZINC000426604290 241315863 /nfs/dbraw/zinc/31/58/63/241315863.db2.gz LDNIEGPZHHNDBR-ZDUSSCGKSA-N -1 0 330.388 2.104 50 0 EEAARM COc1cccc(-c2nc(CC(=O)NCCCC(=O)[O-])cs2)c1 ZINC000020715398 212164043 /nfs/dbraw/zinc/16/40/43/212164043.db2.gz MKATXUWDTZYRFY-UHFFFAOYSA-N -1 0 334.397 2.342 50 0 EEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2c(c1)OCCO2 ZINC000106507027 304147440 /nfs/dbraw/zinc/14/74/40/304147440.db2.gz BOPLTMDGRYJEOL-XBFCOCLRSA-N -1 0 331.368 2.316 50 0 EEAARM COc1ccc(N[C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000019720920 212058801 /nfs/dbraw/zinc/05/88/01/212058801.db2.gz SJOTZTSNSIPWAI-HNNXBMFYSA-N -1 0 340.335 2.137 50 0 biogenic EEAARM CCOc1cc(/C=C/C(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1OC ZINC000013170851 211533827 /nfs/dbraw/zinc/53/38/27/211533827.db2.gz YFNHFQOCMLIYDX-KGXGESDWSA-N -1 0 333.384 2.430 50 0 EEAARM Cc1ccccc1[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1C(=O)[O-] ZINC000091876530 218081671 /nfs/dbraw/zinc/08/16/71/218081671.db2.gz SLYZSGRQCUHLKL-LSDHHAIUSA-N -1 0 339.395 2.147 50 0 EEAARM Cc1nc([N-]c2nc3ccccc3o2)ncc1C(=O)N1CCOCC1 ZINC000010157597 211151134 /nfs/dbraw/zinc/15/11/34/211151134.db2.gz RNUJKRSWWKUFQF-UHFFFAOYSA-N -1 0 339.355 2.142 50 0 EEAARM Cc1ccsc1CCNC(=O)c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000095363436 218296765 /nfs/dbraw/zinc/29/67/65/218296765.db2.gz FFNCWLVBNXXHFU-UHFFFAOYSA-N -1 0 343.408 2.085 50 0 EEAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000005983639 210572369 /nfs/dbraw/zinc/57/23/69/210572369.db2.gz GBICYLHFPVIBCD-UHFFFAOYSA-N -1 0 333.365 2.461 50 0 EEAARM CCc1ccccc1OC1CN(Cc2cc(=O)n3[n-]c(C)cc3n2)C1 ZINC000334159616 258005105 /nfs/dbraw/zinc/00/51/05/258005105.db2.gz OYRCLCQIPOAKKT-UHFFFAOYSA-N -1 0 338.411 2.157 50 0 EEAARM O=C([O-])c1ccc(CNC(=O)CN2CCC(c3ccccc3)CC2)o1 ZINC000299784798 258092564 /nfs/dbraw/zinc/09/25/64/258092564.db2.gz PNXREJQKDFUGMN-UHFFFAOYSA-N -1 0 342.395 2.474 50 0 EEAARM Cc1occc1C(=O)NC1CCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000122833515 222166913 /nfs/dbraw/zinc/16/69/13/222166913.db2.gz DMJJIZOCKUDUTF-UHFFFAOYSA-N -1 0 346.358 2.467 50 0 EEAARM CC[C@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)Nc1ccccc1Cl ZINC000041605930 288150404 /nfs/dbraw/zinc/15/04/04/288150404.db2.gz LZAFMMDMOPBXBW-VIFPVBQESA-N -1 0 340.792 2.033 50 0 EEAARM CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)[O-] ZINC000009164866 280301077 /nfs/dbraw/zinc/30/10/77/280301077.db2.gz HXGNFMSOKZGUEP-UONOGXRCSA-N -1 0 333.388 2.289 50 0 EEAARM CC1=C[C@H](C)[C@H](CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)[C@H](C)C1 ZINC000239009556 281696819 /nfs/dbraw/zinc/69/68/19/281696819.db2.gz AVEIOIMSQGNDBX-AIMLJWDYSA-N -1 0 331.412 2.091 50 0 EEAARM Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCOCC3)c([O-])n2n1 ZINC000023157509 302685353 /nfs/dbraw/zinc/68/53/53/302685353.db2.gz JUYMQFXZCQIXNK-CYBMUJFWSA-N -1 0 348.403 2.366 50 0 EEAARM CCCn1c(=O)c(C(=O)Nc2nncs2)c([O-])c2ccccc21 ZINC000103354596 441180370 /nfs/dbraw/zinc/18/03/70/441180370.db2.gz KGZHTTIABRHSNU-UHFFFAOYSA-N -1 0 330.369 2.221 50 0 EEAARM C[C@@](CO)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002583282 462595755 /nfs/dbraw/zinc/59/57/55/462595755.db2.gz QJTSLFSLVWJFCO-IBGZPJMESA-N -1 0 341.363 2.361 50 0 EEAARM CC(C)C(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000000288904 462552607 /nfs/dbraw/zinc/55/26/07/462552607.db2.gz NXNVDAUFYHCXDA-UHFFFAOYSA-N -1 0 346.408 2.400 50 0 EEAARM CCOc1cc(C(=O)[O-])ccc1OCC(=O)NCc1ccccc1 ZINC000000360365 462556330 /nfs/dbraw/zinc/55/63/30/462556330.db2.gz XJGGHAORWXQZBW-UHFFFAOYSA-N -1 0 329.352 2.479 50 0 EEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccn(Cc2ccccc2C)n1 ZINC000002804604 462604538 /nfs/dbraw/zinc/60/45/38/462604538.db2.gz TWRXSEQHOYUYEP-UHFFFAOYSA-N -1 0 345.428 2.381 50 0 EEAARM CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000002908102 462606268 /nfs/dbraw/zinc/60/62/68/462606268.db2.gz YMFPPIUCRMBOSA-UHFFFAOYSA-N -1 0 349.387 2.469 50 0 EEAARM CCCCNC(=O)CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002975288 462608833 /nfs/dbraw/zinc/60/88/33/462608833.db2.gz VEOSWDGBPLPRQV-UHFFFAOYSA-N -1 0 349.412 2.094 50 0 EEAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)CCC1CCCC1 ZINC000007483789 462737789 /nfs/dbraw/zinc/73/77/89/462737789.db2.gz GOJIXJWNDOHZTL-UHFFFAOYSA-N -1 0 333.384 2.465 50 0 EEAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c[nH]nc2c1 ZINC000012531595 462854321 /nfs/dbraw/zinc/85/43/21/462854321.db2.gz XEVFYTVPVWDIEG-UHFFFAOYSA-N -1 0 331.353 2.370 50 0 EEAARM Cc1c([N-]S(=O)(=O)c2ccccc2Cl)cccc1-n1cnnn1 ZINC000012556969 462856675 /nfs/dbraw/zinc/85/66/75/462856675.db2.gz LXGKUBNPWICYQN-UHFFFAOYSA-N -1 0 349.803 2.425 50 0 EEAARM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000012561108 462856887 /nfs/dbraw/zinc/85/68/87/462856887.db2.gz FCXLLMKACVCSOF-UHFFFAOYSA-N -1 0 343.401 2.338 50 0 EEAARM COc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc(Cl)c1OC ZINC000013170940 462887045 /nfs/dbraw/zinc/88/70/45/462887045.db2.gz BQJMKFDHMFUDSM-VIFPVBQESA-N -1 0 327.764 2.294 50 0 EEAARM C[C@](CC(=O)Nc1cccc(C(N)=O)c1)(C(=O)[O-])c1ccccc1 ZINC000013466671 462894812 /nfs/dbraw/zinc/89/48/12/462894812.db2.gz QCYKJWNYZRDRNC-GOSISDBHSA-N -1 0 326.352 2.157 50 0 EEAARM Cc1nnc(SCC(=O)Nc2ccc(OC(F)F)cc2)[n-]c1=O ZINC000016776884 462990194 /nfs/dbraw/zinc/99/01/94/462990194.db2.gz GYOCFGSLRWXKMO-UHFFFAOYSA-N -1 0 342.327 2.218 50 0 EEAARM C[C@H](O)[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)[O-] ZINC000095471283 463090277 /nfs/dbraw/zinc/09/02/77/463090277.db2.gz PLUVXXGNYHRYRK-BONVTDFDSA-N -1 0 340.335 2.059 50 0 EEAARM CSCCc1nc([C@@H]2CCOC2)n(-c2ccccc2C(=O)[O-])n1 ZINC000095524135 463103290 /nfs/dbraw/zinc/10/32/90/463103290.db2.gz WTWQYHJSVUOGOS-LLVKDONJSA-N -1 0 333.413 2.375 50 0 EEAARM NC(=O)c1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000025209056 463112992 /nfs/dbraw/zinc/11/29/92/463112992.db2.gz BWXMBRMMLQTGAM-ZDUSSCGKSA-N -1 0 330.315 2.122 50 0 EEAARM O=S(=O)([N-]c1cnn(C2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000096123409 463182405 /nfs/dbraw/zinc/18/24/05/463182405.db2.gz MJVGDAFDGPDPPX-UHFFFAOYSA-N -1 0 343.355 2.314 50 0 EEAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2nc(C)cc(C)n2)c1=O ZINC000102621677 463388679 /nfs/dbraw/zinc/38/86/79/463388679.db2.gz IMYUYZYIBURHRZ-UHFFFAOYSA-N -1 0 338.367 2.386 50 0 EEAARM O=C([O-])c1cc(-c2ccccc2)cc(S(=O)(=O)N2CCOCC2)c1 ZINC000071764583 463423556 /nfs/dbraw/zinc/42/35/56/463423556.db2.gz OUKILBAMDCVNMK-UHFFFAOYSA-N -1 0 347.392 2.073 50 0 EEAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)[C@]3(C)CCCO3)CC2)cc1 ZINC000072463041 463511000 /nfs/dbraw/zinc/51/10/00/463511000.db2.gz DXZZSPMPQODUTQ-SFHVURJKSA-N -1 0 347.411 2.389 50 0 EEAARM COc1cc(C(=O)[O-])cc(C(=O)N2CC[C@@](O)(c3ccccc3)C2)c1 ZINC000426612487 536540203 /nfs/dbraw/zinc/54/02/03/536540203.db2.gz DKRSCTXAMLCPQR-IBGZPJMESA-N -1 0 341.363 2.127 50 0 EEAARM COc1cc(CN2CCOCC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000244678747 536763477 /nfs/dbraw/zinc/76/34/77/536763477.db2.gz IJDNURCNIWTQDW-UHFFFAOYSA-N -1 0 347.367 2.398 50 0 EEAARM COCC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000746335014 577926296 /nfs/dbraw/zinc/92/62/96/577926296.db2.gz JQTHXABSTMCBPJ-UHFFFAOYSA-N -1 0 328.324 2.222 50 0 EEAARM COc1ncc([N-]S(=O)(=O)c2ccc(Br)cc2)cn1 ZINC000384234522 1233656258 /nfs/dbraw/zinc/65/62/58/1233656258.db2.gz YQOWMJKYKHBORD-UHFFFAOYSA-N -1 0 344.190 2.049 50 0 EEAARM COc1ccc(-c2ccc(C(=O)[O-])c(N3CC[C@@H](CO)C3)n2)cc1 ZINC001506401972 1114596445 /nfs/dbraw/zinc/59/64/45/1114596445.db2.gz LBDDVKGIGZTROY-GFCCVEGCSA-N -1 0 328.368 2.274 50 0 EEAARM Cc1cccc([C@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C(=O)[O-])c1 ZINC001506429528 1114604678 /nfs/dbraw/zinc/60/46/78/1114604678.db2.gz UCYSXRFSZXCMMR-AWEZNQCLSA-N -1 0 337.335 2.200 50 0 EEAARM Cc1ccc(N2C(=O)[C@H]3C(C(=O)c4cccs4)=NOC3=C2[O-])cc1 ZINC000100354889 219097920 /nfs/dbraw/zinc/09/79/20/219097920.db2.gz OVUDFYYPCUMLTR-WFASDCNBSA-N -1 0 340.360 2.184 50 0 EEAARM O=c1c2[n-][nH]n(Cc3ccc(F)cc3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000101167217 219118042 /nfs/dbraw/zinc/11/80/42/219118042.db2.gz BVDVCIWMIXSUJE-LSDHHAIUSA-N -1 0 342.305 2.458 50 0 EEAARM O=C([O-])C[C@@H](CC(=O)NC[C@H](O)c1ccccc1)c1ccccc1 ZINC000004325225 210171592 /nfs/dbraw/zinc/17/15/92/210171592.db2.gz QEVBFDMCNMNBMJ-SJORKVTESA-N -1 0 327.380 2.485 50 0 EEAARM O=C(CSc1nncc(=O)[n-]1)Nc1ccc(Br)cc1 ZINC000004248974 210153349 /nfs/dbraw/zinc/15/33/49/210153349.db2.gz VXOCCAQANRLLQK-UHFFFAOYSA-N -1 0 341.190 2.071 50 0 EEAARM O=C([O-])[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000004206373 210144641 /nfs/dbraw/zinc/14/46/41/210144641.db2.gz MTCHGDJCSLRYII-IBGZPJMESA-N -1 0 336.347 2.250 50 0 EEAARM CC[C@@H](C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000003222778 209981271 /nfs/dbraw/zinc/98/12/71/209981271.db2.gz KZQQUBYIRNCQIL-LDYMZIIASA-N -1 0 339.335 2.483 50 0 EEAARM COC[C@@H](Nc1ncnc2sc(C(=O)[O-])c(C)c21)c1ccnn1C ZINC000067491293 215154547 /nfs/dbraw/zinc/15/45/47/215154547.db2.gz NIVTUERXQAPHEL-SECBINFHSA-N -1 0 347.400 2.231 50 0 EEAARM O=C([O-])[C@@]1(NC(=O)c2sccc2Br)CCSC1 ZINC000104284403 219369700 /nfs/dbraw/zinc/36/97/00/219369700.db2.gz WXXNBUZJYYUODZ-SNVBAGLBSA-N -1 0 336.232 2.201 50 0 EEAARM Cc1cc(S(=O)(=O)N(C)Cc2cccnc2)cc(C(=O)[O-])c1F ZINC000127608514 222862156 /nfs/dbraw/zinc/86/21/56/222862156.db2.gz PLTHYVQGHUONMM-UHFFFAOYSA-N -1 0 338.360 2.048 50 0 EEAARM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N1CCCCCC1 ZINC000000239625 209499230 /nfs/dbraw/zinc/49/92/30/209499230.db2.gz UVLXOJIYEJYIED-VQHVLOKHSA-N -1 0 339.413 2.358 50 0 biogenic EEAARM Cc1ccnn1CCC(=O)N1CC[C@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072432195 216225615 /nfs/dbraw/zinc/22/56/15/216225615.db2.gz ZDVBSRLLVPXQLZ-MRXNPFEDSA-N -1 0 341.411 2.371 50 0 EEAARM O=C([O-])C1(Oc2ccccc2)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000072436212 216230952 /nfs/dbraw/zinc/23/09/52/216230952.db2.gz QFRZEYATJHFHTE-UHFFFAOYSA-N -1 0 338.367 2.461 50 0 EEAARM Cc1nccnc1N1CCC(C(=O)[O-])(n2cnc3ccccc32)CC1 ZINC000072480817 216260044 /nfs/dbraw/zinc/26/00/44/216260044.db2.gz CUSOQAIEULXWGE-UHFFFAOYSA-N -1 0 337.383 2.215 50 0 EEAARM O=C([O-])CC1(NC(=O)N2Cc3ccccc3[C@H](O)C2)CCCCC1 ZINC000426504440 241299575 /nfs/dbraw/zinc/29/95/75/241299575.db2.gz 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