smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@](NC(=O)C1CCN(C(=O)C(C)C)CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262036848 939058475 /nfs/dbraw/zinc/05/84/75/939058475.db2.gz HIKURTQLOWBOBS-HXUWFJFHSA-N -1 0 394.899 3.041 40 0 GGABRM CC[C@@](NC(=O)C1CCN(C(=O)C(C)C)CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262036846 939058490 /nfs/dbraw/zinc/05/84/90/939058490.db2.gz HIKURTQLOWBOBS-FQEVSTJZSA-N -1 0 394.899 3.041 40 0 GGABRM CCN(C(=O)c1cc(NC(=O)N2CC[C@H](C(=O)[O-])C2)ccc1Cl)C(C)C ZINC000263007345 962105125 /nfs/dbraw/zinc/10/51/25/962105125.db2.gz HBOZTKFERBXGBW-LBPRGKRZSA-N -1 0 381.860 3.149 40 0 GGABRM Cc1ccc(S(=O)(=O)[N-]c2ncc(C(=O)Nc3ccccc3C)cn2)cc1 ZINC000408535152 231053983 /nfs/dbraw/zinc/05/39/83/231053983.db2.gz YCKWJCUJUVCHRI-UHFFFAOYSA-N -1 0 382.445 3.147 40 0 GGABRM COC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000408611190 231080222 /nfs/dbraw/zinc/08/02/22/231080222.db2.gz SJQGGAQAKUJVGW-CYBMUJFWSA-N -1 0 396.896 3.214 40 0 GGABRM COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000408606465 231077269 /nfs/dbraw/zinc/07/72/69/231077269.db2.gz MCCHVSYDEKKFSJ-ZDUSSCGKSA-N -1 0 396.896 3.271 40 0 GGABRM COCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1C ZINC000408606164 231077829 /nfs/dbraw/zinc/07/78/29/231077829.db2.gz NYGXQHKTIHKSFF-UHFFFAOYSA-N -1 0 396.896 3.134 40 0 GGABRM O=C([O-])CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000408609125 231078228 /nfs/dbraw/zinc/07/82/28/231078228.db2.gz ODRQQPZCWPFRLH-IBGZPJMESA-N -1 0 388.414 3.329 40 0 GGABRM O=C([O-])c1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000408666880 231092719 /nfs/dbraw/zinc/09/27/19/231092719.db2.gz ACOMKHHAKIYVRL-IYBDPMFKSA-N -1 0 392.411 3.317 40 0 GGABRM O=C([O-])c1ccccc1NC(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000408666877 231092921 /nfs/dbraw/zinc/09/29/21/231092921.db2.gz ACOMKHHAKIYVRL-HOTGVXAUSA-N -1 0 392.411 3.317 40 0 GGABRM O=C([O-])c1ccc2nc3s/c(=C\c4ccc(Cl)c(Cl)c4)c(=O)n3c2c1 ZINC000408723395 231105973 /nfs/dbraw/zinc/10/59/73/231105973.db2.gz TZWTZKXIPCFCIB-NSIKDUERSA-N -1 0 391.235 3.462 40 0 GGABRM O=C([O-])CCOc1ccc(/C=C2\SC(Nc3ccccc3F)NC2=O)cc1 ZINC000408803082 231114944 /nfs/dbraw/zinc/11/49/44/231114944.db2.gz LDDZXOANOVCLFC-UHFFFAOYSA-N -1 0 387.412 3.442 40 0 GGABRM Cc1cccc(OCc2nn(CC(=O)Nc3cccc(C(=O)[O-])c3)c(=S)o2)c1 ZINC000409155375 231172743 /nfs/dbraw/zinc/17/27/43/231172743.db2.gz IOIABWLPIRUOHH-UHFFFAOYSA-N -1 0 399.428 3.430 40 0 GGABRM COCCCN1C(=O)S/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)C1=O ZINC000409250349 231187735 /nfs/dbraw/zinc/18/77/35/231187735.db2.gz NFONMBXTZGMIHT-FOWTUZBSSA-N -1 0 386.429 3.248 40 0 GGABRM COCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000409380893 231198092 /nfs/dbraw/zinc/19/80/92/231198092.db2.gz JQNNIEWMVZFLCZ-UHFFFAOYSA-N -1 0 396.896 3.216 40 0 GGABRM C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)[O-])[C@@H]2C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409370325 231196655 /nfs/dbraw/zinc/19/66/55/231196655.db2.gz OWZBIFNLXGZBNZ-BLTAXRJOSA-N -1 0 386.629 3.085 40 0 GGABRM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1ccccc1O ZINC000409411929 231202768 /nfs/dbraw/zinc/20/27/68/231202768.db2.gz NTAUDXMRWIBYRR-UHFFFAOYSA-N -1 0 398.444 3.100 40 0 GGABRM Cc1cc(C)c(C[C@@H](C(=O)[O-])N(c2ccc(F)cc2)S(C)(=O)=O)c(C)c1 ZINC000225167481 222669871 /nfs/dbraw/zinc/66/98/71/222669871.db2.gz UFBDZXQSIAIOEM-SFHVURJKSA-N -1 0 379.453 3.213 40 0 GGABRM [O-]C(c1cccs1)=C1[C@@H](c2cccs2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000004387922 204043025 /nfs/dbraw/zinc/04/30/25/204043025.db2.gz XMMPUZPGAPNETH-BREBYQMCSA-N -1 0 392.449 3.078 40 0 GGABRM O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000004865510 204084693 /nfs/dbraw/zinc/08/46/93/204084693.db2.gz WJCJCKBPLIJSDI-NYYWCZLTSA-N -1 0 398.419 3.068 40 0 GGABRM CCc1c(C)sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])c1C(=O)OC ZINC000004652217 204059431 /nfs/dbraw/zinc/05/94/31/204059431.db2.gz KYAGLAYNVRLVQC-WVWOOGAGSA-N -1 0 377.462 3.257 40 0 GGABRM O=C([O-])[C@@H](NC(=O)CC1c2ccccc2-c2ccccc21)[C@@H](O)c1ccccc1 ZINC000005199410 204117753 /nfs/dbraw/zinc/11/77/53/204117753.db2.gz MNHKZDBFPORCSD-GOTSBHOMSA-N -1 0 387.435 3.492 40 0 GGABRM CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000005633051 204143390 /nfs/dbraw/zinc/14/33/90/204143390.db2.gz CIAMVGPVWOFUQI-CVEARBPZSA-N -1 0 382.888 3.100 40 0 GGABRM CC(C)C[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000005633046 204143510 /nfs/dbraw/zinc/14/35/10/204143510.db2.gz HLARRDNPRSKNKT-CVEARBPZSA-N -1 0 397.903 3.492 40 0 GGABRM Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3cccc(C)c3)s2)cc1 ZINC000006778421 204204277 /nfs/dbraw/zinc/20/42/77/204204277.db2.gz XCRYJXGLIDGGEL-UHFFFAOYSA-N -1 0 388.474 3.208 40 0 GGABRM O=C([O-])c1ccc(CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)cc1 ZINC000006402960 204177670 /nfs/dbraw/zinc/17/76/70/204177670.db2.gz UFBNCCNOJJUNGA-UHFFFAOYSA-N -1 0 378.413 3.099 40 0 GGABRM COC(=O)c1sc(S(=O)(=O)[N-]c2cc(C)ccc2C)c(C(=O)OC)c1C ZINC000006416064 204178981 /nfs/dbraw/zinc/17/89/81/204178981.db2.gz WOGSNARKFJBQSE-UHFFFAOYSA-N -1 0 397.474 3.047 40 0 GGABRM COc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(C(=O)[O-])cc3)n2)cn1 ZINC000035425824 204195925 /nfs/dbraw/zinc/19/59/25/204195925.db2.gz APKKYIRZYPXOPM-INIZCTEOSA-N -1 0 380.404 3.176 40 0 biogenic,in-vitro GGABRM C[C@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)c1nnc(-c2cccs2)o1 ZINC000007814839 204252632 /nfs/dbraw/zinc/25/26/32/204252632.db2.gz PIPPNRIFQAJSSU-JTQLQIEISA-N -1 0 393.446 3.088 40 0 GGABRM Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(CC(=O)[O-])cc3)o2)cc1 ZINC000009199243 204302238 /nfs/dbraw/zinc/30/22/38/204302238.db2.gz ZKGAFIVZXKAIHU-UHFFFAOYSA-N -1 0 397.456 3.327 40 0 GGABRM COc1cccc(CC(=O)N2CCC[C@H](c3cc4nc(C)c(C)c(=O)n4[n-]3)C2)c1 ZINC000012134250 204374694 /nfs/dbraw/zinc/37/46/94/204374694.db2.gz STVVFRJKTWOTGT-KRWDZBQOSA-N -1 0 394.475 3.009 40 0 GGABRM COC(=O)c1ccccc1NC(=O)COc1cc2ccccc2cc1C(=O)[O-] ZINC000013080394 204481155 /nfs/dbraw/zinc/48/11/55/204481155.db2.gz HYRUBXTWIYVUAO-UHFFFAOYSA-N -1 0 379.368 3.342 40 0 GGABRM COC(=O)c1ccc(NC(=O)COc2cc3ccccc3cc2C(=O)[O-])cc1 ZINC000013080487 204482010 /nfs/dbraw/zinc/48/20/10/204482010.db2.gz MCDHEVIUCFMNJR-UHFFFAOYSA-N -1 0 379.368 3.342 40 0 GGABRM COc1c(C)cccc1C(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1Cl ZINC000020153371 204703985 /nfs/dbraw/zinc/70/39/85/204703985.db2.gz JFROPZLSORGLKG-UHFFFAOYSA-N -1 0 378.837 3.482 40 0 GGABRM Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000036002168 205001655 /nfs/dbraw/zinc/00/16/55/205001655.db2.gz TUHARNJMIJNEJN-XWSJACJDSA-N -1 0 379.460 3.318 40 0 GGABRM CC1=C[C@@H](CNC(=O)CCC(=O)[O-])[C@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 ZINC000072320913 205031056 /nfs/dbraw/zinc/03/10/56/205031056.db2.gz IIJJBFMZWOIGML-ULQDDVLXSA-N -1 0 398.507 3.336 40 0 biogenic,in-vitro GGABRM CCc1nn2c(ncc3c(=O)n(CC(=O)[O-])ccc32)c1-c1ccc(Cl)cc1 ZINC000040397477 205063390 /nfs/dbraw/zinc/06/33/90/205063390.db2.gz KYERRRZCKIBFNQ-UHFFFAOYSA-N -1 0 382.807 3.012 40 0 GGABRM O=C([O-])CCCn1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O ZINC000040397323 205063574 /nfs/dbraw/zinc/06/35/74/205063574.db2.gz SHZFPBFQVRIBKR-UHFFFAOYSA-N -1 0 382.807 3.229 40 0 GGABRM CCc1nn2c(ncc3c(=O)n(CCCC(=O)[O-])ccc32)c1-c1ccc(F)cc1 ZINC000040396800 205064335 /nfs/dbraw/zinc/06/43/35/205064335.db2.gz DSLOWSWWGCWEJQ-UHFFFAOYSA-N -1 0 394.406 3.278 40 0 GGABRM COc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)cc1OC ZINC000043194492 205082634 /nfs/dbraw/zinc/08/26/34/205082634.db2.gz FCIGECOVMRZWNM-UHFFFAOYSA-N -1 0 377.447 3.023 40 0 GGABRM CC(C)(C)OC(=O)N1CCN(Cc2c(Cl)cccc2Cl)[C@H](C(=O)[O-])C1 ZINC000072203727 205319152 /nfs/dbraw/zinc/31/91/52/205319152.db2.gz GWICZKQCHYBOQA-AWEZNQCLSA-N -1 0 389.279 3.499 40 0 GGABRM CCc1nnc([N-]c2cc([C@H]3CCCN3Cc3cnn(C)c3)nc(C)n2)s1 ZINC000072360354 205334327 /nfs/dbraw/zinc/33/43/27/205334327.db2.gz GWPOSBZGDWNWAY-OAHLLOKOSA-N -1 0 384.513 3.013 40 0 GGABRM O=C(CCc1ccc(F)cc1)N1CCC[C@H]1c1ccnc([N-]c2ncccn2)n1 ZINC000072378097 205340337 /nfs/dbraw/zinc/34/03/37/205340337.db2.gz UMFYZRSLEQAODV-SFHVURJKSA-N -1 0 392.438 3.446 40 0 GGABRM O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2ccnc([N-]c3ncccn3)n2)C1 ZINC000072377938 205340533 /nfs/dbraw/zinc/34/05/33/205340533.db2.gz UWFKQIYVWRSMCX-MRXNPFEDSA-N -1 0 392.438 3.098 40 0 GGABRM COCc1[n-]n2c(nc(-c3n[nH]c4c3CCC4)cc2=O)c1-c1ccc(OC)cc1 ZINC000100776499 205611386 /nfs/dbraw/zinc/61/13/86/205611386.db2.gz YUKIJNUUTTTXAC-UHFFFAOYSA-N -1 0 391.431 3.136 40 0 GGABRM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000000644947 205693783 /nfs/dbraw/zinc/69/37/83/205693783.db2.gz KOMSNIBQCZCTEI-KRWDZBQOSA-N -1 0 380.400 3.266 40 0 GGABRM O=C([O-])c1cc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1NCc1cccnc1 ZINC000004954488 205755826 /nfs/dbraw/zinc/75/58/26/205755826.db2.gz YSVFQQVCMPLENU-HZPDHXFCSA-N -1 0 379.416 3.072 40 0 GGABRM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 ZINC000005132653 205818370 /nfs/dbraw/zinc/81/83/70/205818370.db2.gz SIVJPZQGJSJRNC-UHFFFAOYSA-N -1 0 384.251 3.267 40 0 GGABRM Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000006613197 205821854 /nfs/dbraw/zinc/82/18/54/205821854.db2.gz FEGWHQWIZIWVSG-UHFFFAOYSA-N -1 0 378.837 3.239 40 0 GGABRM CCc1ccc(OCC(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000016161990 205905993 /nfs/dbraw/zinc/90/59/93/205905993.db2.gz OIBKOGMXFLEHBY-UHFFFAOYSA-N -1 0 392.864 3.493 40 0 GGABRM COc1ccc(C(=O)[O-])cc1NC(=O)COc1ccc(Br)cc1 ZINC000020144180 205915560 /nfs/dbraw/zinc/91/55/60/205915560.db2.gz QZIVJGVHTDHJDG-UHFFFAOYSA-N -1 0 380.194 3.173 40 0 GGABRM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000223428939 206000438 /nfs/dbraw/zinc/00/04/38/206000438.db2.gz SVFYFRFBOUTKPF-UHFFFAOYSA-N -1 0 377.315 3.432 40 0 GGABRM Cc1ccc(C(=O)NC(=C([O-])c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000026771195 206003783 /nfs/dbraw/zinc/00/37/83/206003783.db2.gz CKGAEGUELVQSTF-JOCHJYFZSA-N -1 0 393.464 3.408 40 0 GGABRM COC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 ZINC000223655112 206003853 /nfs/dbraw/zinc/00/38/53/206003853.db2.gz SWELCUVTLFBTPH-UHFFFAOYSA-N -1 0 393.461 3.415 40 0 GGABRM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC(C)C)ccc2OC)cc1F ZINC000223656203 206004749 /nfs/dbraw/zinc/00/47/49/206004749.db2.gz MNBTZJRXEQMFFK-UHFFFAOYSA-N -1 0 397.424 3.209 40 0 GGABRM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)ccc1C ZINC000223823730 206006835 /nfs/dbraw/zinc/00/68/35/206006835.db2.gz ZRQWHRXXTYBHJO-UHFFFAOYSA-N -1 0 399.852 3.253 40 0 GGABRM CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2cccc3ccccc32)s1 ZINC000223892157 206008287 /nfs/dbraw/zinc/00/82/87/206008287.db2.gz LALHBTRNGWDIAY-UHFFFAOYSA-N -1 0 376.463 3.087 40 0 GGABRM O=C(NC(=C([O-])c1cccs1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000027061739 206009056 /nfs/dbraw/zinc/00/90/56/206009056.db2.gz BASOFURMTVCDAA-LJQANCHMSA-N -1 0 385.466 3.161 40 0 GGABRM CCSc1nnc([N-]S(=O)(=O)Cc2cccc(Br)c2)s1 ZINC000224216959 206017059 /nfs/dbraw/zinc/01/70/59/206017059.db2.gz RUKGDNVZPXFIDY-UHFFFAOYSA-N -1 0 394.341 3.355 40 0 GGABRM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000224294812 206017513 /nfs/dbraw/zinc/01/75/13/206017513.db2.gz YMOZGNXQAFSGFU-UHFFFAOYSA-N -1 0 376.478 3.253 40 0 GGABRM COc1ccc(S(=O)(=O)[N-]c2cnc(Oc3ccccc3F)nc2)cc1 ZINC000224286735 206017584 /nfs/dbraw/zinc/01/75/84/206017584.db2.gz RRTGLNCFUJYFHR-UHFFFAOYSA-N -1 0 375.381 3.217 40 0 GGABRM Cc1cccc([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 ZINC000223463903 206001190 /nfs/dbraw/zinc/00/11/90/206001190.db2.gz WPTFCJVCVNBQEV-UHFFFAOYSA-N -1 0 388.474 3.208 40 0 GGABRM O=S(=O)([N-]c1ccn(Cc2cccc(F)c2)n1)c1cccc2cccnc21 ZINC000027916686 206019281 /nfs/dbraw/zinc/01/92/81/206019281.db2.gz PXMMGOWORYURTJ-UHFFFAOYSA-N -1 0 382.420 3.420 40 0 GGABRM Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccc(F)cc3)s2)c1 ZINC000224344794 206019891 /nfs/dbraw/zinc/01/98/91/206019891.db2.gz OBHWAAHYBFINJV-UHFFFAOYSA-N -1 0 392.437 3.039 40 0 GGABRM CN(C)c1nc(N2CCCC2)ncc1[N-]S(=O)(=O)c1ccc2ccccc2c1 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3.245 40 0 GGABRM O=C([O-])CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000224920524 206031269 /nfs/dbraw/zinc/03/12/69/206031269.db2.gz LGGMGZPMJPQMPE-UHFFFAOYSA-N -1 0 378.208 3.412 40 0 GGABRM Cc1noc(C)c1S(=O)(=O)[N-]c1c(C)nn(Cc2ccccc2F)c1C ZINC000028233505 206036108 /nfs/dbraw/zinc/03/61/08/206036108.db2.gz DSZKKITUKAFYLQ-UHFFFAOYSA-N -1 0 378.429 3.093 40 0 GGABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(C(C)C)cc2)cc1F ZINC000225097157 206036935 /nfs/dbraw/zinc/03/69/35/206036935.db2.gz YPJHDSRHFCAWHT-UHFFFAOYSA-N -1 0 381.425 3.238 40 0 GGABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(Cl)ccc2C)cc1F ZINC000225107234 206037938 /nfs/dbraw/zinc/03/79/38/206037938.db2.gz ATWQZAZKMNSOJU-UHFFFAOYSA-N -1 0 387.816 3.076 40 0 GGABRM CN([C@@H](Cc1cccc(Cl)c1Cl)C(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000225161246 206038545 /nfs/dbraw/zinc/03/85/45/206038545.db2.gz HNPUPADLHNMXRC-AWEZNQCLSA-N -1 0 388.272 3.310 40 0 GGABRM CCCCc1ccc(C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000225166731 206039150 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379.420 3.140 40 0 GGABRM Cc1c([C@H](C)NC(=O)c2cccc(-n3[n-]c(C(F)(F)F)cc3=O)c2)cnn1C ZINC000100777084 208380356 /nfs/dbraw/zinc/38/03/56/208380356.db2.gz KAXIZVDFVWRAPK-JTQLQIEISA-N -1 0 393.369 3.130 40 0 GGABRM COc1ccc(-c2c(C)[n-]n3c2nc(-c2n[nH]c4c2CCC4)cc3=O)cc1OC ZINC000100776463 208381834 /nfs/dbraw/zinc/38/18/34/208381834.db2.gz IKMHCKAIEHIMPZ-UHFFFAOYSA-N -1 0 391.431 3.306 40 0 GGABRM O=C([O-])c1ccccc1NC=Cc1nnnn1-c1ccc(Br)cc1 ZINC000101087071 208386128 /nfs/dbraw/zinc/38/61/28/208386128.db2.gz GXHWSYBNGFMQSG-KTKRTIGZSA-N -1 0 386.209 3.206 40 0 GGABRM CCc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](NC(C)=O)C(Cl)(Cl)Cl ZINC000100989702 208386283 /nfs/dbraw/zinc/38/62/83/208386283.db2.gz KAXUWSPLXNLZLI-QWHCGFSZSA-N -1 0 376.671 3.290 40 0 GGABRM O=C(C1=NO[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(O)=C12)c1ccccc1 ZINC000100355258 208375539 /nfs/dbraw/zinc/37/55/39/208375539.db2.gz FNTIWPRXWGGWGR-CZUORRHYSA-N -1 0 389.194 3.121 40 0 GGABRM COc1cc(NC(=S)NC(=O)c2cccc(C)c2)c(Cl)cc1C(=O)[O-] ZINC000226354825 208475697 /nfs/dbraw/zinc/47/56/97/208475697.db2.gz FMPMTPGLRNHCQM-UHFFFAOYSA-N -1 0 378.837 3.482 40 0 GGABRM CCOc1cc(NC(=O)c2ccc(OC)cc2OC)c(C(=O)[O-])cc1OCC ZINC000006649903 208683047 /nfs/dbraw/zinc/68/30/47/208683047.db2.gz VGKBYTGUYFYDTQ-UHFFFAOYSA-N -1 0 389.404 3.452 40 0 GGABRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000007986839 208725588 /nfs/dbraw/zinc/72/55/88/208725588.db2.gz GSAOMKXLFYUEEX-UHFFFAOYSA-N -1 0 378.679 3.254 40 0 GGABRM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000014256264 208789672 /nfs/dbraw/zinc/78/96/72/208789672.db2.gz MCHYPKVHDDMCKL-UHFFFAOYSA-N -1 0 393.461 3.216 40 0 GGABRM COC(=O)c1cc(O)cc(OC)c1Oc1c(Cl)c(C)cc(O)c1C(=O)[O-] ZINC000014618673 208791990 /nfs/dbraw/zinc/79/19/90/208791990.db2.gz BIIZWIKNPOIDLS-UHFFFAOYSA-N -1 0 382.752 3.345 40 0 biogenic,in-vitro GGABRM COCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC1=CCCCC1 ZINC000217454453 208827385 /nfs/dbraw/zinc/82/73/85/208827385.db2.gz SMBFRSZWEIOAKC-UHFFFAOYSA-N -1 0 396.509 3.002 40 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ZINC000225068672 565913337 /nfs/dbraw/zinc/91/33/37/565913337.db2.gz XNPPCTSXBWIZCL-OAHLLOKOSA-N -1 0 398.196 3.375 40 0 GGABRM Cc1cc(Cl)ccc1C[C@H](C(=O)[O-])N(c1ccc(F)cc1)S(C)(=O)=O ZINC000225160192 565913722 /nfs/dbraw/zinc/91/37/22/565913722.db2.gz QHUNPGXNGNWAFS-MRXNPFEDSA-N -1 0 385.844 3.249 40 0 GGABRM Cc1ccc(C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000225154458 565913800 /nfs/dbraw/zinc/91/38/00/565913800.db2.gz GIQXTQBRKCNWJT-KRWDZBQOSA-N -1 0 381.881 3.273 40 0 GGABRM Cc1ccc(Cl)cc1C[C@@H](C(=O)[O-])N(c1ccc(F)cc1)S(C)(=O)=O ZINC000225160504 565913822 /nfs/dbraw/zinc/91/38/22/565913822.db2.gz OSBGTHKBLDNJKY-INIZCTEOSA-N -1 0 385.844 3.249 40 0 GGABRM Cc1ccc(C[C@H](C(=O)[O-])N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000225154502 565913934 /nfs/dbraw/zinc/91/39/34/565913934.db2.gz GIQXTQBRKCNWJT-QGZVFWFLSA-N -1 0 381.881 3.273 40 0 GGABRM CN([C@@H](Cc1ccc(Cl)cc1)C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000225158994 565913967 /nfs/dbraw/zinc/91/39/67/565913967.db2.gz OKGKEKGLKNCAOS-HNNXBMFYSA-N -1 0 388.272 3.310 40 0 GGABRM CCCC[C@H](CC)C[N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000225121229 565914103 /nfs/dbraw/zinc/91/41/03/565914103.db2.gz FDJHQZQIEIMXCC-NSHDSACASA-N -1 0 376.548 3.017 40 0 GGABRM COc1ccc(OC)c(S(=O)(=O)[N-]c2nnc(SCC(C)C)s2)c1 ZINC000225700705 565916291 /nfs/dbraw/zinc/91/62/91/565916291.db2.gz FUVXSRSVEGKBTE-UHFFFAOYSA-N -1 0 389.524 3.104 40 0 GGABRM COc1cc(NC(=S)NC(=O)c2ccccc2C)c(Cl)cc1C(=O)[O-] ZINC000226354830 565919786 /nfs/dbraw/zinc/91/97/86/565919786.db2.gz DLZIIEDPKGRPHM-UHFFFAOYSA-N -1 0 378.837 3.482 40 0 GGABRM COc1ccc([N-]S(=O)(=O)c2cc3c(C)cc(=O)[nH]c3cc2Cl)cc1 ZINC000227163522 565921551 /nfs/dbraw/zinc/92/15/51/565921551.db2.gz GMKVPBTXWSSRMT-UHFFFAOYSA-N -1 0 378.837 3.299 40 0 GGABRM O=C([O-])[C@H]1[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000242722816 565985363 /nfs/dbraw/zinc/98/53/63/565985363.db2.gz XVLOXJUZKCTQBV-RBSFLKMASA-N -1 0 381.247 3.090 40 0 GGABRM CN([C@H](Cc1ccc(Cl)cc1)C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000260679473 566122249 /nfs/dbraw/zinc/12/22/49/566122249.db2.gz OKGKEKGLKNCAOS-OAHLLOKOSA-N -1 0 388.272 3.310 40 0 GGABRM CN(Cc1ccccc1)c1nn(-c2ccc(Br)cc2)nc1C(=O)[O-] ZINC000256046018 566122336 /nfs/dbraw/zinc/12/23/36/566122336.db2.gz CFGLQIRBOMEAJO-UHFFFAOYSA-N -1 0 387.237 3.364 40 0 GGABRM CN(c1nn(-c2ccc(Br)cc2)nc1C(=O)[O-])C1CCCCC1 ZINC000256047373 566122795 /nfs/dbraw/zinc/12/27/95/566122795.db2.gz MEQFHLKPBRCTSV-UHFFFAOYSA-N -1 0 379.258 3.497 40 0 GGABRM Cc1ccc(S(=O)(=O)N(C)[C@H](Cc2cc(Cl)ccc2C)C(=O)[O-])cc1 ZINC000260679531 566122927 /nfs/dbraw/zinc/12/29/27/566122927.db2.gz QPOHWCOLVRIHNR-QGZVFWFLSA-N -1 0 381.881 3.273 40 0 GGABRM CN([C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000260679431 566122987 /nfs/dbraw/zinc/12/29/87/566122987.db2.gz MNXQLDYPRJEREP-OAHLLOKOSA-N -1 0 388.272 3.310 40 0 GGABRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000545209787 567029815 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biogenic,in-vitro GGABRM O=C([O-])C[C@@H]1CCN(C(=O)C2CCCC2)C[C@@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000514289049 560033656 /nfs/dbraw/zinc/03/36/56/560033656.db2.gz MWPGFIMIUMNPQP-GJZGRUSLSA-N -1 0 387.455 3.374 40 0 biogenic,in-vitro GGABRM Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(C(=O)c1ccccc1C(=O)[O-])C2 ZINC000225488311 560042696 /nfs/dbraw/zinc/04/26/96/560042696.db2.gz UVGIOOZKUKIGCQ-HNNXBMFYSA-N -1 0 380.400 3.065 40 0 biogenic,in-vitro GGABRM COc1cccc(NC(=O)N[C@H](C)c2onc(-c3cccnc3)c2C(=O)[O-])c1 ZINC000096297082 560060106 /nfs/dbraw/zinc/06/01/06/560060106.db2.gz GZZNHKCEYFRREG-LLVKDONJSA-N -1 0 382.376 3.326 40 0 biogenic,in-vitro GGABRM COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)c(Cl)c(O)c1C(=O)[O-] ZINC000003782652 560189389 /nfs/dbraw/zinc/18/93/89/560189389.db2.gz XKKQZJGDCFDION-UHFFFAOYSA-N -1 0 382.752 3.345 40 0 biogenic,in-vitro GGABRM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)s1 ZINC000004035961 564199955 /nfs/dbraw/zinc/19/99/55/564199955.db2.gz SODVPBKZJSLVMP-UHFFFAOYSA-N -1 0 394.503 3.215 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COc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3Cl)n2)cc1 ZINC000014225635 564280488 /nfs/dbraw/zinc/28/04/88/564280488.db2.gz KWTYQQPRTSTACV-UHFFFAOYSA-N -1 0 377.853 3.394 40 0 GGABRM COc1cccc(Cn2nc(C)c([N-]S(=O)(=O)c3cccs3)c2C)c1 ZINC000014234382 564280781 /nfs/dbraw/zinc/28/07/81/564280781.db2.gz ZGBTWRZLSWJZMN-UHFFFAOYSA-N -1 0 377.491 3.419 40 0 GGABRM O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)C(Cl)(Cl)Cl ZINC000016384816 564294124 /nfs/dbraw/zinc/29/41/24/564294124.db2.gz JFLXYWCQEJSLFW-UHFFFAOYSA-N -1 0 376.048 3.221 40 0 GGABRM O=C([O-])c1ccc(CNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000020152052 564305292 /nfs/dbraw/zinc/30/52/92/564305292.db2.gz GFVZXUXYDHBPOM-UHFFFAOYSA-N -1 0 383.256 3.496 40 0 GGABRM Cc1ccc(OCC(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000020153646 564305513 /nfs/dbraw/zinc/30/55/13/564305513.db2.gz NWWKFMTXQVJBBS-UHFFFAOYSA-N -1 0 378.837 3.239 40 0 GGABRM COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000020418269 564306803 /nfs/dbraw/zinc/30/68/03/564306803.db2.gz 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O=C([O-])CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000113885340 565071236 /nfs/dbraw/zinc/07/12/36/565071236.db2.gz OAHZZTRWFKLDGH-UHFFFAOYSA-N -1 0 378.208 3.412 40 0 GGABRM Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H]2C(=O)[O-])cc1 ZINC000218231899 565898354 /nfs/dbraw/zinc/89/83/54/565898354.db2.gz LISRTETXCIBDGS-ARFHVFGLSA-N -1 0 395.274 3.398 40 0 GGABRM O=C([O-])[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218220397 565898447 /nfs/dbraw/zinc/89/84/47/565898447.db2.gz XVLOXJUZKCTQBV-ILXRZTDVSA-N -1 0 381.247 3.090 40 0 GGABRM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000222662323 565906266 /nfs/dbraw/zinc/90/62/66/565906266.db2.gz ADZBPMYJVUXGON-UHFFFAOYSA-N -1 0 382.511 3.365 40 0 GGABRM CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)s1 ZINC000223216941 565907401 /nfs/dbraw/zinc/90/74/01/565907401.db2.gz ISZITCLANSHSAC-UHFFFAOYSA-N -1 0 395.293 3.240 40 0 GGABRM CSc1cccc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)c1 ZINC000223346683 565908410 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Cc1nc(N(C)C)nc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000224295561 565909940 /nfs/dbraw/zinc/90/99/40/565909940.db2.gz ZDQXGRBZONEIEE-UHFFFAOYSA-N -1 0 375.281 3.267 40 0 GGABRM COc1ccccc1O[C@H](Cc1ccc(I)cc1)C(=O)[O-] ZINC000225068584 565912658 /nfs/dbraw/zinc/91/26/58/565912658.db2.gz ISDRLZOIWCZHKD-OAHLLOKOSA-N -1 0 398.196 3.375 40 0 GGABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(C)c2C)cc1Cl ZINC000224956533 565912695 /nfs/dbraw/zinc/91/26/95/565912695.db2.gz IJTKYMNQYAFFKY-UHFFFAOYSA-N -1 0 383.853 3.245 40 0 GGABRM COc1cccc(O[C@@H](Cc2ccc(I)cc2)C(=O)[O-])c1 ZINC000225068637 565913280 /nfs/dbraw/zinc/91/32/80/565913280.db2.gz XNPPCTSXBWIZCL-HNNXBMFYSA-N -1 0 398.196 3.375 40 0 GGABRM Cc1ccc(C[C@H](C(=O)[O-])N(c2ccc(F)cc2)S(C)(=O)=O)cc1Cl ZINC000225160876 565913421 /nfs/dbraw/zinc/91/34/21/565913421.db2.gz CFMPBMWALBKLSW-MRXNPFEDSA-N -1 0 385.844 3.249 40 0 GGABRM COc1ccc(OC)c(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c1 ZINC000225356535 565913439 /nfs/dbraw/zinc/91/34/39/565913439.db2.gz WQUCSWURDXGRKK-UHFFFAOYSA-N -1 0 377.447 3.023 40 0 GGABRM CCn1c2ccc([N-]S(=O)(=O)c3cc(F)ccc3OC)cc2sc1=O ZINC000225122799 565913773 /nfs/dbraw/zinc/91/37/73/565913773.db2.gz QTYOQMORMKMTQY-UHFFFAOYSA-N -1 0 382.438 3.031 40 0 GGABRM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000225121186 565913892 /nfs/dbraw/zinc/91/38/92/565913892.db2.gz FDJHQZQIEIMXCC-LLVKDONJSA-N -1 0 376.548 3.017 40 0 GGABRM Cc1cc(Cl)ccc1C[C@@H](C(=O)[O-])N(c1ccc(F)cc1)S(C)(=O)=O ZINC000225160150 565913922 /nfs/dbraw/zinc/91/39/22/565913922.db2.gz QHUNPGXNGNWAFS-INIZCTEOSA-N -1 0 385.844 3.249 40 0 GGABRM CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)s1 ZINC000225208185 565914057 /nfs/dbraw/zinc/91/40/57/565914057.db2.gz UFQHFUAKCAUXSS-UHFFFAOYSA-N -1 0 395.293 3.240 40 0 GGABRM Cc1ccc(C)c(C[C@H](C(=O)[O-])N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000225154856 565914101 /nfs/dbraw/zinc/91/41/01/565914101.db2.gz LRBPFXVCYQDIMM-QGZVFWFLSA-N -1 0 381.881 3.273 40 0 GGABRM 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381.881 3.273 40 0 GGABRM Cc1cc(C)cc(C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000225156480 222670206 /nfs/dbraw/zinc/67/02/06/222670206.db2.gz UKGINIHBWQQCBH-KRWDZBQOSA-N -1 0 381.881 3.273 40 0 GGABRM CN([C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000225161487 222670568 /nfs/dbraw/zinc/67/05/68/222670568.db2.gz ANDANJWBOOXNNF-HNNXBMFYSA-N -1 0 388.272 3.310 40 0 GGABRM COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)[O-])c(Br)c1O ZINC000001683518 212253824 /nfs/dbraw/zinc/25/38/24/212253824.db2.gz TYPNITVHOXISAO-FMIVXFBMSA-N -1 0 392.205 3.019 40 0 GGABRM O=C([O-])[C@@H](CSC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000002022613 212261142 /nfs/dbraw/zinc/26/11/42/212261142.db2.gz PXKPRICKEUGRRR-MRXNPFEDSA-N -1 0 389.429 3.436 40 0 GGABRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000000846822 212188328 /nfs/dbraw/zinc/18/83/28/212188328.db2.gz SAHLMQAASHZACX-UHFFFAOYSA-N -1 0 397.880 3.474 40 0 GGABRM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc1 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3.490 40 0 GGABRM CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000004628697 220740717 /nfs/dbraw/zinc/74/07/17/220740717.db2.gz NFKMJDTZKAIYKS-TUAOUCFPSA-N -1 0 378.494 3.191 40 0 GGABRM CSc1ccc(NC(=O)CSc2nc3[nH]c(=O)cc([O-])c3s2)cc1 ZINC000004945702 220797779 /nfs/dbraw/zinc/79/77/79/220797779.db2.gz JVECDXYYLCBMHQ-UHFFFAOYSA-N -1 0 379.488 3.143 40 0 GGABRM CC(=O)c1cc2c(cc1NC(=O)[C@@H]1[C@H]3CC[C@H](C3=C(C)C)[C@@H]1C(=O)[O-])OCO2 ZINC000005517855 220879063 /nfs/dbraw/zinc/87/90/63/220879063.db2.gz UCSXIIBOTQXADK-FUIXPZOKSA-N -1 0 385.416 3.250 40 0 GGABRM CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)Nc1cccc(Cl)c1)C(=O)[O-] ZINC000005633084 220888675 /nfs/dbraw/zinc/88/86/75/220888675.db2.gz HSRFQJJOEGYPFJ-HZPDHXFCSA-N -1 0 397.903 3.492 40 0 GGABRM O=C([O-])CCC/C=C/C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O ZINC000006096224 220920725 /nfs/dbraw/zinc/92/07/25/220920725.db2.gz HNPFPERDNWXAGS-MIDWJBHHSA-N -1 0 390.520 3.319 40 0 in-vitro GGABRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)cc1OCC ZINC000007361268 220994180 /nfs/dbraw/zinc/99/41/80/220994180.db2.gz HHZKJXACNJFUCB-UHFFFAOYSA-N -1 0 381.450 3.302 40 0 GGABRM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1OC ZINC000007054179 220985264 /nfs/dbraw/zinc/98/52/64/220985264.db2.gz LJRWZHODWJKMKL-ZDUSSCGKSA-N -1 0 392.477 3.033 40 0 GGABRM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000007709010 221007032 /nfs/dbraw/zinc/00/70/32/221007032.db2.gz PXZYIGYUXIPMPD-UHFFFAOYSA-N -1 0 376.253 3.098 40 0 GGABRM CCc1cc(-c2n[nH]c(COCC(=O)[O-])c2-c2nc(C)cs2)c(O)cc1O ZINC000011867628 221133534 /nfs/dbraw/zinc/13/35/34/221133534.db2.gz SOEWQAFFUOYPEX-UHFFFAOYSA-N -1 0 389.433 3.083 40 0 GGABRM COc1ccc(CC(=O)N2CCC[C@H](c3cc4nc(C)c(C)c(=O)n4[n-]3)C2)cc1 ZINC000012134262 221157436 /nfs/dbraw/zinc/15/74/36/221157436.db2.gz YZDMIENCXNYEMF-KRWDZBQOSA-N -1 0 394.475 3.009 40 0 GGABRM COc1ccc(CC(=O)N2CCC[C@@H](c3cc4nc(C)c(C)c(=O)n4[n-]3)C2)cc1 ZINC000012134255 221157802 /nfs/dbraw/zinc/15/78/02/221157802.db2.gz YZDMIENCXNYEMF-QGZVFWFLSA-N -1 0 394.475 3.009 40 0 GGABRM COc1ccc(OC)c(CN2CCCC[C@@H]2c2cc3nc(C)cc(=O)n3[n-]2)c1 ZINC000012337767 221184042 /nfs/dbraw/zinc/18/40/42/221184042.db2.gz KVJMIJLJAHTYOP-GOSISDBHSA-N -1 0 382.464 3.488 40 0 GGABRM CCc1cc(=O)n2[n-]c([C@H]3CCCCN3C(=O)c3sc(C)nc3C)cc2n1 ZINC000012161317 221162056 /nfs/dbraw/zinc/16/20/56/221162056.db2.gz XKVDCCALEBKKOB-OAHLLOKOSA-N -1 0 385.493 3.438 40 0 GGABRM CC/C=C\C[C@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)C/C=C\CCC(=O)[O-] ZINC000012496201 221199878 /nfs/dbraw/zinc/19/98/78/221199878.db2.gz OIWTWACQMDFHJG-CCFUIAGSSA-N -1 0 376.493 3.461 40 0 endogenous,in-man GGABRM CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000012521106 221201208 /nfs/dbraw/zinc/20/12/08/221201208.db2.gz BWRVDHGDKWNYRR-CQSZACIVSA-N -1 0 376.478 3.333 40 0 GGABRM CCCCCc1ccc(NC(=O)Cc2csc([N-]S(C)(=O)=O)n2)cc1 ZINC000012631062 221216714 /nfs/dbraw/zinc/21/67/14/221216714.db2.gz KBWZEGYVXFYMQA-UHFFFAOYSA-N -1 0 381.523 3.429 40 0 GGABRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000013249316 221263825 /nfs/dbraw/zinc/26/38/25/221263825.db2.gz CPIFZKCDGIIFEU-DLBZAZTESA-N -1 0 380.448 3.277 40 0 GGABRM CC(C)CCC1C(=O)N=C(SCC(=O)Nc2ccccc2Cl)N=C1[O-] ZINC000013453864 221269139 /nfs/dbraw/zinc/26/91/39/221269139.db2.gz OWJLALFFTRLUDG-UHFFFAOYSA-N -1 0 381.885 3.448 40 0 GGABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1 ZINC000013961413 221294736 /nfs/dbraw/zinc/29/47/36/221294736.db2.gz RBUQLBKNECEQDR-BZQXJPPWSA-N -1 0 389.814 3.185 40 0 GGABRM CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)ccc21 ZINC000015243446 221333732 /nfs/dbraw/zinc/33/37/32/221333732.db2.gz GIHCYSUAEHRWPU-UHFFFAOYSA-N -1 0 384.379 3.415 40 0 GGABRM O=C([O-])c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000015008507 221326358 /nfs/dbraw/zinc/32/63/58/221326358.db2.gz ZMYMTYKHZAADTA-XNTDXEJSSA-N -1 0 382.397 3.060 40 0 GGABRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(NC(C)=O)ccc1OC ZINC000016101424 221357510 /nfs/dbraw/zinc/35/75/10/221357510.db2.gz KIWCTFMUPQOKAL-UHFFFAOYSA-N -1 0 384.841 3.116 40 0 GGABRM O=C([O-])[C@@H]1C2C[C@H]3C[C@@H](C2)CC1(n1ncc(NC2CCCC2)c(Cl)c1=O)C3 ZINC000016383032 221362044 /nfs/dbraw/zinc/36/20/44/221362044.db2.gz ZJMFPQTULDVTQB-KHNCFVFHSA-N -1 0 391.899 3.487 40 0 GGABRM Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000016363010 221362667 /nfs/dbraw/zinc/36/26/67/221362667.db2.gz PDCFVXZZVNWHIS-UHFFFAOYSA-N -1 0 378.837 3.239 40 0 GGABRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccncc2)ccc1C ZINC000017585785 221383178 /nfs/dbraw/zinc/38/31/78/221383178.db2.gz QTZLLTMDFLMEDO-UHFFFAOYSA-N -1 0 397.456 3.452 40 0 GGABRM CCc1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)c(=O)[n-]2)cc1 ZINC000016806883 221370821 /nfs/dbraw/zinc/37/08/21/221370821.db2.gz LDERUNKYGOHNQQ-UHFFFAOYSA-N -1 0 382.445 3.243 40 0 GGABRM O=C([O-])c1cccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)c1 ZINC000016901054 221373071 /nfs/dbraw/zinc/37/30/71/221373071.db2.gz RYWFGODRQNHLIJ-CYBMUJFWSA-N -1 0 379.199 3.436 40 0 GGABRM O=C([O-])c1cccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3Cl)C2=O)c1 ZINC000016901056 221373471 /nfs/dbraw/zinc/37/34/71/221373471.db2.gz HMWMGBOGXMINRH-CQSZACIVSA-N -1 0 379.199 3.436 40 0 GGABRM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1c(F)c(F)c(F)c(F)c1F ZINC000018263431 221390982 /nfs/dbraw/zinc/39/09/82/221390982.db2.gz LRGOQARIQRBSEI-UHFFFAOYSA-N -1 0 395.305 3.111 40 0 GGABRM Cc1cc2nc(C[C@@H](NC(=O)Cc3ccccc3)c3ccccc3)cc(=O)n2[n-]1 ZINC000019129979 221397363 /nfs/dbraw/zinc/39/73/63/221397363.db2.gz AFLPIKOUXVZGJS-HXUWFJFHSA-N -1 0 386.455 3.386 40 0 GGABRM Cc1cc2nc(C[C@H](NC(=O)Cc3ccccc3)c3ccccc3)cc(=O)n2[n-]1 ZINC000019129983 221397553 /nfs/dbraw/zinc/39/75/53/221397553.db2.gz AFLPIKOUXVZGJS-FQEVSTJZSA-N -1 0 386.455 3.386 40 0 GGABRM COc1ccc([C@H](Cc2cc(=O)n3[n-]c(C)cc3n2)NC(=O)C(C)(C)C)cc1 ZINC000019129936 221398011 /nfs/dbraw/zinc/39/80/11/221398011.db2.gz SFAAQAYHAILEEB-KRWDZBQOSA-N -1 0 382.464 3.198 40 0 GGABRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC)cc1Br ZINC000020142292 221474367 /nfs/dbraw/zinc/47/43/67/221474367.db2.gz AVCJZGWBSPPYQM-UHFFFAOYSA-N -1 0 380.194 3.417 40 0 GGABRM CCOc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1Br ZINC000020142350 221474740 /nfs/dbraw/zinc/47/47/40/221474740.db2.gz LTPLOFIUWAIPRH-UHFFFAOYSA-N -1 0 378.222 3.476 40 0 GGABRM C[C@@H](CC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000118933631 533452135 /nfs/dbraw/zinc/45/21/35/533452135.db2.gz SHUYNJFEXPRUGR-SMVPWYCRSA-N -1 0 394.552 3.059 40 0 GGABRM COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1ccccc1F ZINC000409042465 533471792 /nfs/dbraw/zinc/47/17/92/533471792.db2.gz NBEKPDREICDDMN-VGOFMYFVSA-N -1 0 376.771 3.247 40 0 GGABRM COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1OC(C)C ZINC000409129362 533472479 /nfs/dbraw/zinc/47/24/79/533472479.db2.gz FXDQCKSCYINEHP-WUXMJOGZSA-N -1 0 385.825 3.257 40 0 GGABRM O=C([O-])c1cc(S(=O)(=O)NC2CCCCCC2)ccc1N1CCCCC1 ZINC000217583763 136203299 /nfs/dbraw/zinc/20/32/99/136203299.db2.gz PDZASZPFMORQLW-UHFFFAOYSA-N -1 0 380.510 3.376 40 0 GGABRM Cc1ccc(S(=O)(=O)C(NC(=O)c2ccccc2)=C([O-])c2cccs2)cc1 ZINC000026688270 221645657 /nfs/dbraw/zinc/64/56/57/221645657.db2.gz AJFKGQWMHUAOLG-HXUWFJFHSA-N -1 0 399.493 3.469 40 0 GGABRM Cc1noc(C)c1S(=O)(=O)[N-]c1nc2ccccc2n1Cc1ccccc1 ZINC000028233066 221671773 /nfs/dbraw/zinc/67/17/73/221671773.db2.gz LSSPCFSHALXLEF-UHFFFAOYSA-N -1 0 382.445 3.490 40 0 GGABRM O=C(NC(=C([O-])c1cccs1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000027061742 221650066 /nfs/dbraw/zinc/65/00/66/221650066.db2.gz BASOFURMTVCDAA-IBGZPJMESA-N -1 0 385.466 3.161 40 0 GGABRM CC(C)[C@H](C(=O)[O-])n1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O ZINC000040392452 221920746 /nfs/dbraw/zinc/92/07/46/221920746.db2.gz VAMIGKIEMLOAJL-MRXNPFEDSA-N -1 0 397.822 3.041 40 0 GGABRM Cc1nn2c(ncc3c(=O)n(CCCC(=O)[O-])ccc32)c1-c1ccc(F)cc1 ZINC000040396979 221922293 /nfs/dbraw/zinc/92/22/93/221922293.db2.gz ZXDMYINWIJSPCG-UHFFFAOYSA-N -1 0 380.379 3.024 40 0 GGABRM COc1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)C)cc1NC(C)=O ZINC000055590393 222024858 /nfs/dbraw/zinc/02/48/58/222024858.db2.gz PGSXVORZQZJXNU-UHFFFAOYSA-N -1 0 378.450 3.242 40 0 GGABRM CC(C)NC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC2=NCCc3cc(F)ccc32)C1 ZINC000049590593 222000382 /nfs/dbraw/zinc/00/03/82/222000382.db2.gz FZTPNYHWRVNURW-HOCLYGCPSA-N -1 0 389.471 3.092 40 0 biogenic,in-vitro GGABRM O=C([O-])C[C@@H]1CCN(C(=O)c2ccco2)C[C@@H]1CC1=NCCc2ccccc21 ZINC000049590506 222000831 /nfs/dbraw/zinc/00/08/31/222000831.db2.gz TZCLOPZEGIMVBU-IRXDYDNUSA-N -1 0 380.444 3.268 40 0 biogenic,in-vitro GGABRM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000059842293 222057594 /nfs/dbraw/zinc/05/75/94/222057594.db2.gz HGYCFXVVMBTRTC-UHFFFAOYSA-N -1 0 391.854 3.006 40 0 GGABRM C[C@@H](O)c1c(C(F)(F)F)n[n-]c1S(=O)(=O)c1ccc(Br)cc1 ZINC000064220199 222070562 /nfs/dbraw/zinc/07/05/62/222070562.db2.gz UHFXEANHRJVVRR-ZCFIWIBFSA-N -1 0 399.188 3.077 40 0 GGABRM COc1ccc(CC(=O)N2[C@@H](C(=O)[O-])COC23CCC(C(C)(C)C)CC3)cc1 ZINC000071980466 222203063 /nfs/dbraw/zinc/20/30/63/222203063.db2.gz RLKJNOORYCAWDM-ASNBIDDJSA-N -1 0 389.492 3.482 40 0 GGABRM O=C(CCc1ccc(F)cc1)N1CCC[C@@H]1c1ccnc([N-]c2ncccn2)n1 ZINC000072378098 222244690 /nfs/dbraw/zinc/24/46/90/222244690.db2.gz UMFYZRSLEQAODV-GOSISDBHSA-N -1 0 392.438 3.446 40 0 GGABRM O=C(c1ccc(F)cc1)N1CCC[C@H](c2ccnc([N-]c3ncccn3)n2)C1 ZINC000072377526 222245059 /nfs/dbraw/zinc/24/50/59/222245059.db2.gz NXQBVSKWOHURMC-HNNXBMFYSA-N -1 0 378.411 3.169 40 0 GGABRM CCn1cc(-c2cc(=O)n3[n-]c(COC)c(-c4ccc(OC)cc4)c3n2)c(C)n1 ZINC000072391442 222248622 /nfs/dbraw/zinc/24/86/22/222248622.db2.gz GLLZXFRVTUKUDH-UHFFFAOYSA-N -1 0 393.447 3.449 40 0 GGABRM CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)ccc2Cl)[C@H](C(=O)[O-])C1 ZINC000079440262 222304774 /nfs/dbraw/zinc/30/47/74/222304774.db2.gz BTQZXYIXKPHNHY-AWEZNQCLSA-N -1 0 389.279 3.499 40 0 GGABRM COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3)C2)c1 ZINC000095532108 222354705 /nfs/dbraw/zinc/35/47/05/222354705.db2.gz JAVVWIVPVPLXKC-IBGZPJMESA-N -1 0 382.416 3.246 40 0 GGABRM O=C([O-])c1ccc(CN2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cc1 ZINC000096111798 222381123 /nfs/dbraw/zinc/38/11/23/222381123.db2.gz QFZMJPBCWVPLSN-ICSRJNTNSA-N -1 0 392.455 3.163 40 0 biogenic,in-vitro GGABRM Cn1c(CO[C@H]2CN(Cc3ccc(C(=O)[O-])cc3)C[C@H]2F)nc2ccccc21 ZINC000096112192 222381513 /nfs/dbraw/zinc/38/15/13/222381513.db2.gz SGABQIUQVZYBMT-APWZRJJASA-N -1 0 383.423 3.011 40 0 biogenic,in-vitro GGABRM COc1ccc2[nH]c(CO[C@H]3CN(Cc4ccc(C(=O)[O-])cc4)C[C@H]3F)nc2c1 ZINC000096112262 222381687 /nfs/dbraw/zinc/38/16/87/222381687.db2.gz DOFFAGNHOGHQAJ-APWZRJJASA-N -1 0 399.422 3.009 40 0 biogenic,in-vitro GGABRM C[C@@H](NC(=O)C1CCOCC1)c1onc(-c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000096296956 222410160 /nfs/dbraw/zinc/41/01/60/222410160.db2.gz HOGABUKJKHQQPD-SNVBAGLBSA-N -1 0 378.812 3.297 40 0 biogenic,in-vitro GGABRM Cc1c([C@@H](C)NC(=O)c2cccc(-n3[n-]c(C(F)(F)F)cc3=O)c2)cnn1C ZINC000100777082 222462127 /nfs/dbraw/zinc/46/21/27/222462127.db2.gz KAXIZVDFVWRAPK-SNVBAGLBSA-N -1 0 393.369 3.130 40 0 GGABRM C[C@H](CC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000118933634 533698713 /nfs/dbraw/zinc/69/87/13/533698713.db2.gz SHUYNJFEXPRUGR-INBUIBMYSA-N -1 0 394.552 3.059 40 0 GGABRM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1)CCC2 ZINC000408615768 533704909 /nfs/dbraw/zinc/70/49/09/533704909.db2.gz RYZMQCGRBYZRIA-UHFFFAOYSA-N -1 0 381.475 3.141 40 0 GGABRM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 ZINC000408591731 534188211 /nfs/dbraw/zinc/18/82/11/534188211.db2.gz JHDNILXWFYQJFH-UHFFFAOYSA-N -1 0 377.466 3.274 40 0 GGABRM O=C([O-])c1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)c1 ZINC000408671689 534549256 /nfs/dbraw/zinc/54/92/56/534549256.db2.gz KZOOUEQAKSDXLM-HDICACEKSA-N -1 0 390.395 3.093 40 0 GGABRM COCCCn1c(=O)c2ccc(C(=O)Nc3ccc(OC)cc3)cc2[n-]c1=S ZINC000012609557 523496481 /nfs/dbraw/zinc/49/64/81/523496481.db2.gz AVTDWNDEDDFRAM-UHFFFAOYSA-N -1 0 399.472 3.356 40 0 GGABRM C[C@@H]1CN(C(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)C[C@H](C)O1 ZINC000012607595 524765635 /nfs/dbraw/zinc/76/56/35/524765635.db2.gz HQHYPHPFBBYCFV-GASCZTMLSA-N -1 0 389.521 3.255 40 0 GGABRM CC1=C(C(N)=O)[C@@H](c2ccccc2)N=C(SCc2ccc(C(=O)[O-])cc2)N1 ZINC000408988173 528084649 /nfs/dbraw/zinc/08/46/49/528084649.db2.gz HISGXQWZKGNXOE-QGZVFWFLSA-N -1 0 381.457 3.078 40 0 GGABRM CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C1=O ZINC000409229584 528174637 /nfs/dbraw/zinc/17/46/37/528174637.db2.gz RMHQUSFSBICMHI-LDADJPATSA-N -1 0 380.400 3.267 40 0 GGABRM CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000408599133 528256793 /nfs/dbraw/zinc/25/67/93/528256793.db2.gz FFQKHTMRTKWDRC-UHFFFAOYSA-N -1 0 377.780 3.267 40 0 GGABRM CCOc1cc(Cl)c(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1OCC ZINC000409123529 528288963 /nfs/dbraw/zinc/28/89/63/528288963.db2.gz CLHLKLUPBVAPRF-AWNIVKPZSA-N -1 0 385.825 3.258 40 0 GGABRM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(CC)CC)cc1 ZINC000120372396 528589414 /nfs/dbraw/zinc/58/94/14/528589414.db2.gz GVVNPNAAVODXCE-UHFFFAOYSA-N -1 0 376.478 3.368 40 0 GGABRM O=C([O-])C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1Cc1nc2ccccc2[nH]1 ZINC000514289524 560032411 /nfs/dbraw/zinc/03/24/11/560032411.db2.gz NFUYRMKHZAPRSK-IRXDYDNUSA-N -1 0 377.444 3.359 40 0 biogenic,in-vitro GGABRM CC(C)(C)C(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000514289414 560032435 /nfs/dbraw/zinc/03/24/35/560032435.db2.gz SKFMRUUULSNIFK-STQMWFEESA-N -1 0 375.444 3.230 40 0 biogenic,in-vitro GGABRM Cc1cc(C(=O)N[C@H](C)c2onc(-c3ccc(Cl)cc3)c2C(=O)[O-])nn1C ZINC000096296949 560060054 /nfs/dbraw/zinc/06/00/54/560060054.db2.gz CJCLEAFICXOOEX-SNVBAGLBSA-N -1 0 388.811 3.226 40 0 biogenic,in-vitro GGABRM COc1ccc(-c2noc(C(=O)[O-])c2[C@@H](C)NC(=O)COc2ccccc2)cc1 ZINC000096296822 560060104 /nfs/dbraw/zinc/06/01/04/560060104.db2.gz CHYKWHINZWDJOA-CYBMUJFWSA-N -1 0 396.399 3.305 40 0 biogenic,in-vitro GGABRM CC(=O)c1cc2c(cc1[N-]S(=O)(=O)c1ccc(Br)cc1)OCO2 ZINC000001351255 564185209 /nfs/dbraw/zinc/18/52/09/564185209.db2.gz HBDGTASSZYGCCX-UHFFFAOYSA-N -1 0 398.234 3.181 40 0 GGABRM CSCC[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-] ZINC000002042183 564186694 /nfs/dbraw/zinc/18/66/94/564186694.db2.gz XUYMJJZDPPYHOJ-SNVBAGLBSA-N -1 0 386.684 3.348 40 0 GGABRM CC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000002641996 564188371 /nfs/dbraw/zinc/18/83/71/564188371.db2.gz ILDVNOZXAUPPSE-MRXNPFEDSA-N -1 0 381.837 3.037 40 0 GGABRM COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1cc(Cl)cc(Cl)c1 ZINC000003371486 564195980 /nfs/dbraw/zinc/19/59/80/564195980.db2.gz CJZQNQKMAFFNMQ-UHFFFAOYSA-N -1 0 382.199 3.115 40 0 GGABRM O=C([O-])c1ccc(N[C@@H](NC(=O)c2cccnc2)C(Cl)(Cl)Cl)cc1 ZINC000004714279 564206457 /nfs/dbraw/zinc/20/64/57/564206457.db2.gz HGHTZALFFUQJAU-AWEZNQCLSA-N -1 0 388.638 3.318 40 0 GGABRM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 ZINC000005132667 564213209 /nfs/dbraw/zinc/21/32/09/564213209.db2.gz FXYDVOHTXSGCRI-UHFFFAOYSA-N -1 0 384.251 3.267 40 0 GGABRM CCCCCCNC(=O)N[C@@H](CSC(=O)NCCCCCC)C(=O)[O-] ZINC000005297608 564214499 /nfs/dbraw/zinc/21/44/99/564214499.db2.gz XWFBLCDYFJZHAQ-AWEZNQCLSA-N -1 0 375.535 3.342 40 0 GGABRM O=C([N-]S(=O)(=O)c1nnc(-c2ccccc2Cl)s1)c1cccs1 ZINC000005772208 564218368 /nfs/dbraw/zinc/21/83/68/564218368.db2.gz XAHSLHPUCNHQKP-UHFFFAOYSA-N -1 0 385.879 3.039 40 0 GGABRM O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1ccccc1F ZINC000006615574 564225475 /nfs/dbraw/zinc/22/54/75/564225475.db2.gz WUZMRTAEIXGPFW-UHFFFAOYSA-N -1 0 397.225 3.413 40 0 GGABRM COc1ccc2nc(NC(=O)CSc3ncccc3C(=O)[O-])sc2c1 ZINC000006793995 564228188 /nfs/dbraw/zinc/22/81/88/564228188.db2.gz HDICOGSXGBVDAO-UHFFFAOYSA-N -1 0 375.431 3.129 40 0 GGABRM Cc1ccccc1OCC(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1Cl ZINC000006861184 564228959 /nfs/dbraw/zinc/22/89/59/564228959.db2.gz FUTJTAZPJJAVSG-UHFFFAOYSA-N -1 0 378.837 3.239 40 0 GGABRM O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)C(Cl)(Cl)Cl)c1 ZINC000006861770 564229077 /nfs/dbraw/zinc/22/90/77/564229077.db2.gz CORIUAKIISKRGS-UHFFFAOYSA-N -1 0 376.048 3.221 40 0 GGABRM CCCNC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O ZINC000006879576 564229136 /nfs/dbraw/zinc/22/91/36/564229136.db2.gz VSPYJDNUGOPKAR-WDZFZDKYSA-N -1 0 389.260 3.262 40 0 GGABRM COC(=O)CN1C(=O)/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC1=S ZINC000008091975 564245541 /nfs/dbraw/zinc/24/55/41/564245541.db2.gz MNLAUCGCLKOHLR-WTKPLQERSA-N -1 0 378.258 3.073 40 0 GGABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccccc1F ZINC000020151686 564305323 /nfs/dbraw/zinc/30/53/23/564305323.db2.gz FSVRNTNKIYZZCV-UHFFFAOYSA-N -1 0 382.800 3.313 40 0 GGABRM COc1ccc(C(=O)NC(=S)Nc2ccc(CC(=O)[O-])cc2)cc1Cl ZINC000020152917 564305351 /nfs/dbraw/zinc/30/53/51/564305351.db2.gz LVOGCCWEMPKXJQ-UHFFFAOYSA-N -1 0 378.837 3.103 40 0 GGABRM COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(CC(=O)[O-])cc1 ZINC000020152575 564305380 /nfs/dbraw/zinc/30/53/80/564305380.db2.gz ACEQPLCGIIHZRK-UHFFFAOYSA-N -1 0 378.837 3.103 40 0 GGABRM O=C([O-])c1ccc(CNC(=S)NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000020153736 564305383 /nfs/dbraw/zinc/30/53/83/564305383.db2.gz FPWPOZROBQRITH-UHFFFAOYSA-N -1 0 394.905 3.321 40 0 GGABRM COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000020418271 564306642 /nfs/dbraw/zinc/30/66/42/564306642.db2.gz VZROJKZOCSYYOT-UHFFFAOYSA-N -1 0 378.837 3.482 40 0 GGABRM O=C([O-])c1ccccc1C(=O)Nc1nnc(-c2ccc(Br)cc2)o1 ZINC000020496044 564306755 /nfs/dbraw/zinc/30/67/55/564306755.db2.gz HZVZHXSHGRUFMK-UHFFFAOYSA-N -1 0 388.177 3.450 40 0 GGABRM Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)CCC(=O)[O-] ZINC000028226589 564360665 /nfs/dbraw/zinc/36/06/65/564360665.db2.gz GRNGBKGRZCTUPN-UHFFFAOYSA-N -1 0 380.242 3.114 40 0 GGABRM CCc1ccc(S(=O)(=O)[N-]c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000028577718 564363356 /nfs/dbraw/zinc/36/33/56/564363356.db2.gz GMDWINOIKYXEOE-UHFFFAOYSA-N -1 0 396.515 3.063 40 0 GGABRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCSCc1ccc(Cl)cc1 ZINC000032340344 564397729 /nfs/dbraw/zinc/39/77/29/564397729.db2.gz ADFPZZMVKJRWIH-UHFFFAOYSA-N -1 0 398.937 3.375 40 0 GGABRM O=C([O-])CCCC(=O)Nc1nn(Cc2ccccc2F)cc1Br ZINC000032610710 564403190 /nfs/dbraw/zinc/40/31/90/564403190.db2.gz SRKNVGLMOAYNNB-UHFFFAOYSA-N -1 0 384.205 3.026 40 0 GGABRM CCCOc1cc(Br)c(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCC ZINC000033778908 564414305 /nfs/dbraw/zinc/41/43/05/564414305.db2.gz IJAIFPHWSYSCLE-UHFFFAOYSA-N -1 0 397.225 3.226 40 0 GGABRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(N2CCCC2=O)c1 ZINC000038696621 564424053 /nfs/dbraw/zinc/42/40/53/564424053.db2.gz FCLDQFCXTAKTBQ-UHFFFAOYSA-N -1 0 380.853 3.276 40 0 GGABRM CCCOc1ccc(Br)cc1/C=C/C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000062715828 564713474 /nfs/dbraw/zinc/71/34/74/564713474.db2.gz PRQKUNZLQNIAMJ-WHWKNOJMSA-N -1 0 384.270 3.477 40 0 GGABRM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000068933691 564829559 /nfs/dbraw/zinc/82/95/59/564829559.db2.gz PQKCZILJDMECGD-UHFFFAOYSA-N -1 0 376.217 3.258 40 0 GGABRM CCc1[n-]n(-c2ccccc2)c(=O)c1[C@H](NC(C)=O)C(Cl)(Cl)Cl ZINC000100989699 564914817 /nfs/dbraw/zinc/91/48/17/564914817.db2.gz KAXUWSPLXNLZLI-STQMWFEESA-N -1 0 376.671 3.290 40 0 GGABRM O=C([O-])c1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000101274945 564915678 /nfs/dbraw/zinc/91/56/78/564915678.db2.gz JEUJOWGWJGXVON-AWEZNQCLSA-N -1 0 379.199 3.436 40 0 GGABRM O=C([O-])CN(c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000113876385 565071206 /nfs/dbraw/zinc/07/12/06/565071206.db2.gz FLPLOZGCZLAXJQ-UHFFFAOYSA-N -1 0 378.208 3.412 40 0 GGABRM Cc1cc(C)cc(N(CC(=O)[O-])S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000113881581 565071248 /nfs/dbraw/zinc/07/12/48/565071248.db2.gz YQKHKPNRNXFJGF-UHFFFAOYSA-N -1 0 398.278 3.346 40 0 GGABRM Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(Br)cc2)c(C)c1 ZINC000113880867 565071293 /nfs/dbraw/zinc/07/12/93/565071293.db2.gz UTQKAFTXHLYVDC-UHFFFAOYSA-N -1 0 398.278 3.346 40 0 GGABRM Cc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000113874106 565071295 /nfs/dbraw/zinc/07/12/95/565071295.db2.gz BAVMHHGBZOHVTD-UHFFFAOYSA-N -1 0 384.251 3.037 40 0 GGABRM COc1ccc(-c2nnc([N-]S(=O)(=O)Cc3ccccc3C)s2)cc1 ZINC000186628350 565273558 /nfs/dbraw/zinc/27/35/58/565273558.db2.gz ZTEPLGGIGHWADQ-UHFFFAOYSA-N -1 0 375.475 3.464 40 0 GGABRM CCc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)C(C)(C)C ZINC000408627783 565614551 /nfs/dbraw/zinc/61/45/51/565614551.db2.gz NQORANLLZAZBTM-UHFFFAOYSA-N -1 0 377.539 3.124 40 0 GGABRM O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1 ZINC000284937697 565878695 /nfs/dbraw/zinc/87/86/95/565878695.db2.gz CRDKFKYPKHFGEU-VIFPVBQESA-N -1 0 385.791 3.234 40 0 GGABRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1C(=O)NC(C)C ZINC000223066111 565907195 /nfs/dbraw/zinc/90/71/95/565907195.db2.gz RQBQZFSTAPPCAS-UHFFFAOYSA-N -1 0 382.869 3.288 40 0 GGABRM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2o1 ZINC000223326580 565907391 /nfs/dbraw/zinc/90/73/91/565907391.db2.gz LJFYEICMNJBWSA-UHFFFAOYSA-N -1 0 377.180 3.368 40 0 GGABRM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2OC)cc1Cl ZINC000223693084 565908379 /nfs/dbraw/zinc/90/83/79/565908379.db2.gz VGDZNXREWUOSAO-UHFFFAOYSA-N -1 0 387.816 3.465 40 0 GGABRM COc1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1Cl ZINC000223328107 565908609 /nfs/dbraw/zinc/90/86/09/565908609.db2.gz WMNAZXPDFXFWHS-UHFFFAOYSA-N -1 0 389.216 3.237 40 0 GGABRM CCCCc1ccc([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000223647441 565908742 /nfs/dbraw/zinc/90/87/42/565908742.db2.gz NKURHUFYSIGWPV-UHFFFAOYSA-N -1 0 382.511 3.276 40 0 GGABRM O=S(=O)(Cc1c(F)cccc1Cl)[N-]Cc1nc(-c2cccs2)no1 ZINC000223649294 565909002 /nfs/dbraw/zinc/90/90/02/565909002.db2.gz ZGZHEPLWMHMGRJ-UHFFFAOYSA-N -1 0 387.845 3.210 40 0 GGABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000223577277 565909062 /nfs/dbraw/zinc/90/90/62/565909062.db2.gz JDFPRXFKUTYEOX-UHFFFAOYSA-N -1 0 380.491 3.485 40 0 GGABRM CCOc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Cl)cc2C)cc1 ZINC000224593281 565911098 /nfs/dbraw/zinc/91/10/98/565911098.db2.gz CUXKZEKDXFYALQ-UHFFFAOYSA-N -1 0 383.853 3.327 40 0 GGABRM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000224786557 565911332 /nfs/dbraw/zinc/91/13/32/565911332.db2.gz WGEVTNBPELMDGR-UHFFFAOYSA-N -1 0 388.902 3.285 40 0 GGABRM CCOc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000224992827 565912186 /nfs/dbraw/zinc/91/21/86/565912186.db2.gz XPGSHCFILCNHSX-UHFFFAOYSA-N -1 0 381.475 3.087 40 0 GGABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(Cl)c2Cl)cc1 ZINC000224867555 565912378 /nfs/dbraw/zinc/91/23/78/565912378.db2.gz NMHMPBYZRIDTJQ-UHFFFAOYSA-N -1 0 390.244 3.282 40 0 GGABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2Cl)cc1Cl ZINC000224949844 565912929 /nfs/dbraw/zinc/91/29/29/565912929.db2.gz JWPJQTOFSRRRBT-UHFFFAOYSA-N -1 0 390.244 3.282 40 0 GGABRM Cc1cccc(C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000225154145 565913586 /nfs/dbraw/zinc/91/35/86/565913586.db2.gz IGXIFXDQPQQNRK-KRWDZBQOSA-N -1 0 381.881 3.273 40 0 GGABRM Cc1cccc(C)c1C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225155814 565913595 /nfs/dbraw/zinc/91/35/95/565913595.db2.gz KEKQUOFBLJSZTI-QGZVFWFLSA-N -1 0 381.881 3.273 40 0 GGABRM Cc1c(Cl)cccc1C[C@@H](C(=O)[O-])N(c1ccc(F)cc1)S(C)(=O)=O ZINC000225159765 565913793 /nfs/dbraw/zinc/91/37/93/565913793.db2.gz ZZWQMDCDZICNOF-INIZCTEOSA-N -1 0 385.844 3.249 40 0 GGABRM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000225109956 565913828 /nfs/dbraw/zinc/91/38/28/565913828.db2.gz JYWGBVZVCHWXFQ-UHFFFAOYSA-N -1 0 376.548 3.016 40 0 GGABRM Cc1cccc(C[C@H](C(=O)[O-])N(C)S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000225154187 565913958 /nfs/dbraw/zinc/91/39/58/565913958.db2.gz IGXIFXDQPQQNRK-QGZVFWFLSA-N -1 0 381.881 3.273 40 0 GGABRM Cc1ccc(S(=O)(=O)N(C)[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)[O-])cc1 ZINC000225161029 565914052 /nfs/dbraw/zinc/91/40/52/565914052.db2.gz JRWCOVUUHASCNR-KRWDZBQOSA-N -1 0 381.881 3.273 40 0 GGABRM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225703319 565916195 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CC(C)(CC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)C(=O)[O-] ZINC000630307741 566720114 /nfs/dbraw/zinc/72/01/14/566720114.db2.gz GAVRRYPAZJOOIZ-UHFFFAOYSA-N -1 0 396.281 3.345 40 0 GGABRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000545209786 567029866 /nfs/dbraw/zinc/02/98/66/567029866.db2.gz UBQPVEGGDMBHOE-JTQLQIEISA-N -1 0 377.443 3.024 40 0 GGABRM CCc1nc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cn1CC1CC1 ZINC000685938942 567311877 /nfs/dbraw/zinc/31/18/77/567311877.db2.gz XKMIBVNJKWHPEY-UHFFFAOYSA-N -1 0 397.913 3.314 40 0 GGABRM C[C@H](CC(=O)[O-])CC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000573137311 567691057 /nfs/dbraw/zinc/69/10/57/567691057.db2.gz KBHWBZYOIWDMBC-LBPRGKRZSA-N -1 0 384.270 3.320 40 0 GGABRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000573137310 567691348 /nfs/dbraw/zinc/69/13/48/567691348.db2.gz KBHWBZYOIWDMBC-GFCCVEGCSA-N -1 0 384.270 3.320 40 0 GGABRM Cc1cccc(C)c1NC(=O)CSc1nc([O-])cc(=O)n1-c1ccc(F)cc1 ZINC000019894490 570228134 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GGABRM CCCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-] ZINC000005671796 570272518 /nfs/dbraw/zinc/27/25/18/570272518.db2.gz DMNVEVOHPONZJG-DHMWGJHJSA-N -1 0 395.477 3.002 40 0 GGABRM CCc1cc(-c2nc(N)ncc2-c2cc(C(=O)OC)oc2C)c(O)cc1OC ZINC000005877282 570274124 /nfs/dbraw/zinc/27/41/24/570274124.db2.gz FTLLPOROHCXSSH-UHFFFAOYSA-N -1 0 383.404 3.357 40 0 GGABRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc4nnc(C)n4n3)cc2)s1 ZINC000005150858 570274773 /nfs/dbraw/zinc/27/47/73/570274773.db2.gz HACAAOOQDRZGPR-UHFFFAOYSA-N -1 0 385.474 3.270 40 0 GGABRM COc1ccccc1-c1nc(CC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)cs1 ZINC000101633194 570277191 /nfs/dbraw/zinc/27/71/91/570277191.db2.gz SFKUMKPOLBZLAF-OKILXGFUSA-N -1 0 388.489 3.368 40 0 GGABRM Cc1ccc(-c2c[n-]n3c2nc([C@@H]2CC(=O)N(Cc4ccncc4)C2)cc3=O)cc1 ZINC000100776292 570277732 /nfs/dbraw/zinc/27/77/32/570277732.db2.gz FWYVAAWEOOSXGB-GOSISDBHSA-N -1 0 399.454 3.321 40 0 GGABRM COc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 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Cc1cccc([N-]S(=O)(=O)c2nnc(NC(=O)C3CCCCC3)s2)c1 ZINC000006778450 204204899 /nfs/dbraw/zinc/20/48/99/204204899.db2.gz NWWXSOSCCVFCJG-UHFFFAOYSA-N -1 0 380.495 3.166 40 0 GGABRM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000006812404 204211510 /nfs/dbraw/zinc/21/15/10/204211510.db2.gz MMTCHCDNVMFCTA-MHWRWJLKSA-N -1 0 396.424 3.368 40 0 GGABRM CCOC(=O)N=c1[n-]nc(S(=O)(=O)N(CC(C)C)c2ccc(C)cc2)s1 ZINC000006818348 204211708 /nfs/dbraw/zinc/21/17/08/204211708.db2.gz WLADHHOTNBKOLK-UHFFFAOYSA-N -1 0 398.510 3.266 40 0 GGABRM CCOC(=O)c1ccc(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[n-]2)cc1 ZINC000006721986 204195662 /nfs/dbraw/zinc/19/56/62/204195662.db2.gz YFVJAJWIEZAZBD-UHFFFAOYSA-N -1 0 384.823 3.329 40 0 GGABRM CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(C(=O)[O-])cc3)n2)cn1 ZINC000035426221 204201203 /nfs/dbraw/zinc/20/12/03/204201203.db2.gz NTDSVXLQZYKPNB-KRWDZBQOSA-N -1 0 393.447 3.233 40 0 biogenic,in-vitro GGABRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccco1 ZINC000006920335 204224250 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NVUJQNQOETVIKJ-UHFFFAOYSA-N -1 0 375.446 3.221 40 0 GGABRM O=S(=O)([N-]c1nccs1)c1cc(Br)ccc1Br ZINC000011635155 204347521 /nfs/dbraw/zinc/34/75/21/204347521.db2.gz RVQSQVZWTQCNHF-UHFFFAOYSA-N -1 0 398.101 3.469 40 0 GGABRM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000012200076 204383173 /nfs/dbraw/zinc/38/31/73/204383173.db2.gz CFSCTMRTXUZUIH-UHFFFAOYSA-N -1 0 398.362 3.160 40 0 GGABRM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cccc(Cl)c2Cl)C1=O ZINC000014819374 204541404 /nfs/dbraw/zinc/54/14/04/204541404.db2.gz QDYLFKDIGJYJBH-KRWDZBQOSA-N -1 0 378.215 3.105 40 0 GGABRM Cc1ccc2[nH]c3nc(SCC(=O)Nc4cccc(C(=O)[O-])c4)nnc3c2c1 ZINC000035311565 204984059 /nfs/dbraw/zinc/98/40/59/204984059.db2.gz TVQDLQWBLUECFC-UHFFFAOYSA-N -1 0 393.428 3.244 40 0 GGABRM O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)CCc2ccccc2)[C@@H](O)C[C@@H]1O ZINC000033955166 204969779 /nfs/dbraw/zinc/96/97/79/204969779.db2.gz YFHHIZGZVLHBQZ-DHYICTOFSA-N -1 0 388.504 3.095 40 0 in-vitro GGABRM Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000036002166 205001388 /nfs/dbraw/zinc/00/13/88/205001388.db2.gz TUHARNJMIJNEJN-HCXYKTFWSA-N -1 0 379.460 3.318 40 0 GGABRM Cc1cccc(C(=O)N2CCCC2)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000036833208 205021770 /nfs/dbraw/zinc/02/17/70/205021770.db2.gz SXTQRJKJFNYCHA-UHFFFAOYSA-N -1 0 380.416 3.310 40 0 GGABRM CC1=C[C@@H](CNC(=O)CCC(=O)[O-])[C@H](C(C)C)C[C@H]1Cc1nc2cc[nH]cc-2n1 ZINC000072320917 205031100 /nfs/dbraw/zinc/03/11/00/205031100.db2.gz BYQNPKJKGRJTID-ULQDDVLXSA-N -1 0 398.507 3.336 40 0 biogenic,in-vitro GGABRM O=C([O-])CCC/C=C\C[C@@H]1[C@H](O)CC(=O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1 ZINC000044606638 205087138 /nfs/dbraw/zinc/08/71/38/205087138.db2.gz OAQGPAZDRCBBLD-UFMFLRBSSA-N -1 0 386.488 3.304 40 0 in-vitro GGABRM O=C([O-])c1ccc(Br)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 ZINC000085342753 205124523 /nfs/dbraw/zinc/12/45/23/205124523.db2.gz HBWODLKJFXQFBH-UHFFFAOYSA-N -1 0 397.225 3.413 40 0 GGABRM CSCC[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)C(=O)[O-] ZINC000085344777 205125306 /nfs/dbraw/zinc/12/53/06/205125306.db2.gz ODQQKWAWCVPPBG-VIFPVBQESA-N -1 0 392.713 3.131 40 0 GGABRM COc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000049466947 205128430 /nfs/dbraw/zinc/12/84/30/205128430.db2.gz UWPIMIGBVITTHM-PWIZWCRZSA-N -1 0 381.428 3.240 40 0 GGABRM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)cc1C ZINC000055587683 205150337 /nfs/dbraw/zinc/15/03/37/205150337.db2.gz DRWRRNWHYXJVTI-UHFFFAOYSA-N -1 0 376.478 3.251 40 0 GGABRM O=C([O-])CCC/C=C\C[C@H]1[C@H](O)CC(=O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1 ZINC000064857730 205198589 /nfs/dbraw/zinc/19/85/89/205198589.db2.gz OAQGPAZDRCBBLD-APAFODMISA-N -1 0 386.488 3.304 40 0 in-vitro GGABRM CC[C@@H](Oc1ccccc1)c1nnc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)s1 ZINC000071286082 205281197 /nfs/dbraw/zinc/28/11/97/205281197.db2.gz KFCYNKIKHHPRKN-JHJVBQTASA-N -1 0 375.450 3.364 40 0 GGABRM CC1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(Br)cc1 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O=C([O-])CN(Cc1ccccc1)C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000257241263 206164307 /nfs/dbraw/zinc/16/43/07/206164307.db2.gz HXIYTHKEGOTVDJ-UHFFFAOYSA-N -1 0 391.349 3.169 40 0 GGABRM Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1cccc([N-]c2nncs2)n1 ZINC000257247100 206166092 /nfs/dbraw/zinc/16/60/92/206166092.db2.gz IXLMOEUTLGKIHJ-OAHLLOKOSA-N -1 0 384.465 3.188 40 0 GGABRM CC(C)(C)C(=O)N1CCC(Cc2cc(-c3cncc(C(=O)[O-])c3)ncn2)CC1 ZINC000257311597 206178121 /nfs/dbraw/zinc/17/81/21/206178121.db2.gz UKGKKVOIBDGKRC-UHFFFAOYSA-N -1 0 382.464 3.064 40 0 GGABRM CC(C)(C)C(=O)N1CCC(Cc2cnc(-c3cncc(C(=O)[O-])c3)cn2)CC1 ZINC000257253657 206167573 /nfs/dbraw/zinc/16/75/73/206167573.db2.gz JZTLALVHGREJEI-UHFFFAOYSA-N -1 0 382.464 3.064 40 0 GGABRM Cc1cc(C)n(-c2cccc(C(=O)[N-]S(=O)(=O)c3ccc(Cl)cc3)c2)n1 ZINC000257261184 206168234 /nfs/dbraw/zinc/16/82/34/206168234.db2.gz LGCBXKLXXQDAFK-UHFFFAOYSA-N -1 0 389.864 3.261 40 0 GGABRM CCn1c(C)nc2cc(C(=O)N(CCc3ccc(OC)cc3)CC(=O)[O-])ccc21 ZINC000257262621 206168694 /nfs/dbraw/zinc/16/86/94/206168694.db2.gz LMCYHVWUOQAZIM-UHFFFAOYSA-N -1 0 395.459 3.143 40 0 GGABRM C[C@@H](C(=O)OCC(=S)OCC(=O)[O-])c1ccc(C(=O)c2ccccc2)s1 ZINC000263583655 206184606 /nfs/dbraw/zinc/18/46/06/206184606.db2.gz RNBMXGTYIKXDFV-LLVKDONJSA-N -1 0 392.454 3.054 40 0 GGABRM O=C([O-])c1ccccc1-c1ccc(CN2CCO[C@H](c3ccncn3)C2)cc1 ZINC000257322862 206180520 /nfs/dbraw/zinc/18/05/20/206180520.db2.gz WHSXPBZOLUKZEZ-NRFANRHFSA-N -1 0 375.428 3.415 40 0 GGABRM CC(C)(C)C(=O)N1CCC[C@H](Cc2nccnc2-c2cncc(C(=O)[O-])c2)C1 ZINC000257327664 206180710 /nfs/dbraw/zinc/18/07/10/206180710.db2.gz XCFLQFFRNZUCJR-CQSZACIVSA-N -1 0 382.464 3.064 40 0 GGABRM COc1ccc(OC)c(COc2ccc([C@H]3N[C@H](C(=O)[O-])CS3)cc2)c1 ZINC000408983794 532965975 /nfs/dbraw/zinc/96/59/75/532965975.db2.gz CPEVAONSZCGXCD-WMZOPIPTSA-N -1 0 375.446 3.071 40 0 GGABRM COc1cccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1OCC(=O)[O-] ZINC000409310967 533387208 /nfs/dbraw/zinc/38/72/08/533387208.db2.gz DLEORNQJWZGSNR-GDNBJRDFSA-N -1 0 385.397 3.400 40 0 GGABRM COc1ccc(C)cc1NC1NC(=O)/C(=C/c2cccc(OCC(=O)[O-])c2)S1 ZINC000408806867 533404151 /nfs/dbraw/zinc/40/41/51/533404151.db2.gz CAYTZENHLOVOIV-UHFFFAOYSA-N -1 0 399.448 3.230 40 0 GGABRM COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409058775 533471934 /nfs/dbraw/zinc/47/19/34/533471934.db2.gz SYPCEGLFBMEPSN-VGOFMYFVSA-N -1 0 376.771 3.247 40 0 GGABRM CC[C@H](C)n1nc(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)[n-]c1=O ZINC000064220071 136156645 /nfs/dbraw/zinc/15/66/45/136156645.db2.gz GQNFCQJGGZWGNK-INIZCTEOSA-N -1 0 393.491 3.242 40 0 GGABRM O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000017080977 136202222 /nfs/dbraw/zinc/20/22/22/136202222.db2.gz OBOLXMFGCWUCPO-UWWPHRKUSA-N -1 0 396.409 3.101 40 0 GGABRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1N1CCCCC1)c1ccccc1 ZINC000217479380 136203330 /nfs/dbraw/zinc/20/33/30/136203330.db2.gz BVVLHLASHSQGLD-OAHLLOKOSA-N -1 0 388.489 3.415 40 0 GGABRM COc1cc(CNc2cccc(C(=O)[O-])c2)cc(I)c1O ZINC000408608455 533912846 /nfs/dbraw/zinc/91/28/46/533912846.db2.gz LQKOSJNOPKEACM-UHFFFAOYSA-N -1 0 399.184 3.316 40 0 GGABRM O=C([O-])c1ccc(NC(=O)Cn2nc(COc3ccccc3)oc2=S)cc1 ZINC000409159683 534544902 /nfs/dbraw/zinc/54/49/02/534544902.db2.gz RUIVQLKWUQJFOA-UHFFFAOYSA-N -1 0 385.401 3.121 40 0 GGABRM O=C([O-])c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000010314624 534545751 /nfs/dbraw/zinc/54/57/51/534545751.db2.gz UWPOVILVGNXLFV-UHFFFAOYSA-N -1 0 396.424 3.438 40 0 GGABRM O=C([O-])c1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1 ZINC000408673818 534549394 /nfs/dbraw/zinc/54/93/94/534549394.db2.gz VVHQBGKHDFDWQE-ROUUACIJSA-N -1 0 390.395 3.093 40 0 GGABRM O=C(CSc1nnc(COc2ccccc2)o1)Nc1cccc(C(=O)[O-])c1 ZINC000409342244 534676972 /nfs/dbraw/zinc/67/69/72/534676972.db2.gz AYSHGQRQFJLYFI-UHFFFAOYSA-N -1 0 385.401 3.078 40 0 GGABRM CCCCCN1C(=O)S/C(=C\c2ccc(OCC(=O)[O-])c(OC)c2)C1=O ZINC000409208258 528183052 /nfs/dbraw/zinc/18/30/52/528183052.db2.gz BOAOMKWWFMNAOR-GDNBJRDFSA-N -1 0 379.434 3.385 40 0 GGABRM CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000409098038 528196497 /nfs/dbraw/zinc/19/64/97/528196497.db2.gz JWZWKLGQCPQZKB-KPKJPENVSA-N -1 0 385.825 3.258 40 0 GGABRM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)ccc2OC)ccc1OC ZINC000408698534 528424896 /nfs/dbraw/zinc/42/48/96/528424896.db2.gz QSLGJXIRZWDDPQ-UHFFFAOYSA-N -1 0 378.450 3.162 40 0 GGABRM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1NC(=O)CC ZINC000408699411 528589186 /nfs/dbraw/zinc/58/91/86/528589186.db2.gz WSVQKYRQQPOUBI-UHFFFAOYSA-N -1 0 378.450 3.243 40 0 GGABRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OCC)c(NC(C)=O)c1 ZINC000408559571 528746100 /nfs/dbraw/zinc/74/61/00/528746100.db2.gz MOSWESYZEQDJOM-UHFFFAOYSA-N -1 0 378.450 3.243 40 0 GGABRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 ZINC000408600794 528747001 /nfs/dbraw/zinc/74/70/01/528747001.db2.gz CLSLKVRSMFGLND-UHFFFAOYSA-N -1 0 388.489 3.431 40 0 GGABRM CCSc1nn2c([n-]1)nc(C)c(Cc1ccc(Br)cc1)c2=O ZINC000014164087 529259883 /nfs/dbraw/zinc/25/98/83/529259883.db2.gz NZJOTEMPFNJWSE-UHFFFAOYSA-N -1 0 379.283 3.191 40 0 GGABRM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(F)cc2Br)c1 ZINC000034940595 564415358 /nfs/dbraw/zinc/41/53/58/564415358.db2.gz RYKNXMLBUUPLGW-UHFFFAOYSA-N -1 0 380.216 3.149 40 0 GGABRM Cn1c2ccccc2nc1C[C@H]1CN(C(=O)CC(C)(C)C)CC[C@H]1CC(=O)[O-] ZINC000514289921 560031295 /nfs/dbraw/zinc/03/12/95/560031295.db2.gz PZBVNTIXTKGSJL-HOTGVXAUSA-N -1 0 385.508 3.491 40 0 biogenic,in-vitro GGABRM COc1cccc2[nH]c(C[C@H]3CN(C(=O)C4CCCC4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514289699 560032120 /nfs/dbraw/zinc/03/21/20/560032120.db2.gz YNGUQQMSIGCVMT-HOTGVXAUSA-N -1 0 399.491 3.244 40 0 biogenic,in-vitro GGABRM Oc1c2c(c(O)n1-c1ccc(Br)cc1)Sc1ccccc1N2 ZINC000001624704 564185729 /nfs/dbraw/zinc/18/57/29/564185729.db2.gz MPNQWYALZXAZIW-KGLIPLIRSA-N -1 0 375.247 3.277 40 0 GGABRM CC(C)(C)C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000005601530 564217576 /nfs/dbraw/zinc/21/75/76/564217576.db2.gz ABTBVYWAQRRPGZ-UHFFFAOYSA-N -1 0 381.475 3.321 40 0 GGABRM O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)/C=C/c1ccco1 ZINC000006615435 564225121 /nfs/dbraw/zinc/22/51/21/564225121.db2.gz HQMZTDGMTUQPTH-GQCTYLIASA-N -1 0 395.234 3.267 40 0 GGABRM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)cs1 ZINC000006681611 564226973 /nfs/dbraw/zinc/22/69/73/564226973.db2.gz FDHFHKKZRXIQPG-UHFFFAOYSA-N -1 0 389.296 3.061 40 0 GGABRM Cc1ccc(OCC(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000006845553 564228341 /nfs/dbraw/zinc/22/83/41/564228341.db2.gz XQRKRTIFRGQOFN-UHFFFAOYSA-N -1 0 378.837 3.239 40 0 GGABRM O=C([O-])c1ccccc1SCc1cc(=O)n2cc(Br)ccc2n1 ZINC000006919309 564229699 /nfs/dbraw/zinc/22/96/99/564229699.db2.gz XAPQPTDPBZACDZ-UHFFFAOYSA-N -1 0 391.246 3.448 40 0 biogenic GGABRM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1ccccc1Br ZINC000007051225 564231054 /nfs/dbraw/zinc/23/10/54/564231054.db2.gz VGGWCGHSKPKHRH-UHFFFAOYSA-N -1 0 399.266 3.217 40 0 GGABRM CCCc1nc(SC(=Cc2cc(Br)ccc2O)C(=O)[O-])n[nH]1 ZINC000007342207 564236066 /nfs/dbraw/zinc/23/60/66/564236066.db2.gz PGMICZRDZNXZTN-XFFZJAGNSA-N -1 0 384.255 3.443 40 0 GGABRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)s1 ZINC000009170061 564253236 /nfs/dbraw/zinc/25/32/36/564253236.db2.gz QRKTUOKXDGWIHV-UHFFFAOYSA-N -1 0 380.491 3.239 40 0 GGABRM O=C([O-])c1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000013460843 564276265 /nfs/dbraw/zinc/27/62/65/564276265.db2.gz JSMSVDYSLVFQGV-CQSZACIVSA-N -1 0 379.199 3.436 40 0 GGABRM O=C([O-])Cc1ccc(NC(=O)c2ccc(I)cc2)cc1 ZINC000013439465 564276501 /nfs/dbraw/zinc/27/65/01/564276501.db2.gz UYVPGMYCJPIBME-UHFFFAOYSA-N -1 0 381.169 3.171 40 0 GGABRM CCc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](NC(C)=O)C(Cl)(Cl)Cl ZINC000016636729 564295124 /nfs/dbraw/zinc/29/51/24/564295124.db2.gz KAXUWSPLXNLZLI-CHWSQXEVSA-N -1 0 376.671 3.290 40 0 GGABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1cncc(Br)c1 ZINC000020143494 564305333 /nfs/dbraw/zinc/30/53/33/564305333.db2.gz XFGQQARZWVHZDK-UHFFFAOYSA-N -1 0 385.601 3.457 40 0 GGABRM Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(C(=O)[O-])c2)cc1Cl ZINC000020152323 564305344 /nfs/dbraw/zinc/30/53/44/564305344.db2.gz IDELEXAXAJZROE-UHFFFAOYSA-N -1 0 378.837 3.487 40 0 GGABRM COc1c(C)cc(Br)cc1C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000020143116 564305592 /nfs/dbraw/zinc/30/55/92/564305592.db2.gz QUVMGPZOBVTIKA-UHFFFAOYSA-N -1 0 380.194 3.422 40 0 GGABRM O=C([O-])c1ccc(CNC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000020152083 564305608 /nfs/dbraw/zinc/30/56/08/564305608.db2.gz NBTBBZWKKQDVRH-UHFFFAOYSA-N -1 0 383.256 3.496 40 0 GGABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)c1cccc(C)c1 ZINC000020151526 564305637 /nfs/dbraw/zinc/30/56/37/564305637.db2.gz OAGHXTZVTLKPTF-UHFFFAOYSA-N -1 0 378.837 3.482 40 0 GGABRM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C3CC3)c2)c(C)s1 ZINC000021963300 564312732 /nfs/dbraw/zinc/31/27/32/564312732.db2.gz MPDHKCDQXBQSHR-UHFFFAOYSA-N -1 0 375.479 3.154 40 0 GGABRM COCc1cccc([N-]S(=O)(=O)c2cc(Br)ccc2OC)c1 ZINC000026547322 564347461 /nfs/dbraw/zinc/34/74/61/564347461.db2.gz SGTAPINNBGQBBA-UHFFFAOYSA-N -1 0 386.267 3.405 40 0 GGABRM O=C([O-])CN1C(=O)c2ccccc2/C(=C\c2cc(Br)cs2)C1=O ZINC000037181212 564421184 /nfs/dbraw/zinc/42/11/84/564421184.db2.gz CEWBIPXZXQKETC-AWNIVKPZSA-N -1 0 392.230 3.118 40 0 GGABRM COc1ccc(-c2nnc([N-]S(=O)(=O)Cc3ccc(F)cc3)s2)cc1 ZINC000135984024 564843840 /nfs/dbraw/zinc/84/38/40/564843840.db2.gz DSOLTQARKPTLQG-UHFFFAOYSA-N -1 0 379.438 3.295 40 0 GGABRM O=[S@](c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1)C(F)(F)F ZINC000072312980 564863242 /nfs/dbraw/zinc/86/32/42/564863242.db2.gz AMTDKIZEOJCCRT-QHCPKHFHSA-N -1 0 385.335 3.393 40 0 GGABRM Nc1c(Br)cc(Br)c2cccc(S(=O)(=O)[O-])c12 ZINC000098175562 564914151 /nfs/dbraw/zinc/91/41/51/564914151.db2.gz NESZSWNMHQOPPG-UHFFFAOYSA-N -1 0 381.045 3.194 40 0 GGABRM O=C(Cn1ccc2ccc(Br)cc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000101609749 564919866 /nfs/dbraw/zinc/91/98/66/564919866.db2.gz LTFBZNCMYZNBFQ-XBXGTLAGSA-N -1 0 393.281 3.411 40 0 GGABRM O=C(Cn1ccc2c1cccc2Br)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000101664291 564920381 /nfs/dbraw/zinc/92/03/81/564920381.db2.gz LUBGKHNSUNGGAD-BETUJISGSA-N -1 0 393.281 3.411 40 0 GGABRM Cn1c(=O)c2ccc(C(=O)Nc3cccc(Br)c3)cc2[n-]c1=S ZINC000102590388 564931154 /nfs/dbraw/zinc/93/11/54/564931154.db2.gz HCDVNOQQUYOHMR-UHFFFAOYSA-N -1 0 390.262 3.237 40 0 GGABRM O=C([O-])CN(c1cccc(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000113875632 565071250 /nfs/dbraw/zinc/07/12/50/565071250.db2.gz APWOHXNQNDBGFI-UHFFFAOYSA-N -1 0 378.208 3.412 40 0 GGABRM Cc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccc(Br)cc1 ZINC000113872206 565071266 /nfs/dbraw/zinc/07/12/66/565071266.db2.gz KNHZZOYSGMJDBG-UHFFFAOYSA-N -1 0 384.251 3.037 40 0 GGABRM Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000113873177 565071280 /nfs/dbraw/zinc/07/12/80/565071280.db2.gz WWGNQRDGXFDLBB-UHFFFAOYSA-N -1 0 384.251 3.037 40 0 GGABRM Cc1cccc(C)c1N(CC(=O)[O-])S(=O)(=O)c1ccc(Br)cc1 ZINC000113882119 565071357 /nfs/dbraw/zinc/07/13/57/565071357.db2.gz DIYHEUUKAGZBLL-UHFFFAOYSA-N -1 0 398.278 3.346 40 0 GGABRM CCc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000113884600 565071364 /nfs/dbraw/zinc/07/13/64/565071364.db2.gz YPLXAKFQRXHKCG-UHFFFAOYSA-N -1 0 398.278 3.291 40 0 GGABRM COc1ccc(-c2nnc([N-]S(=O)(=O)Cc3ccccc3F)s2)cc1 ZINC000186628420 565273489 /nfs/dbraw/zinc/27/34/89/565273489.db2.gz POHAGAWTHWGMCC-UHFFFAOYSA-N -1 0 379.438 3.295 40 0 GGABRM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)ccc1C ZINC000408626002 565614716 /nfs/dbraw/zinc/61/47/16/565614716.db2.gz XVMUERQQQAVWMO-UHFFFAOYSA-N -1 0 382.869 3.208 40 0 GGABRM Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Br)cc3)[C@H]2C(=O)[O-])cc1 ZINC000218231834 565898659 /nfs/dbraw/zinc/89/86/59/565898659.db2.gz LISRTETXCIBDGS-XHSDSOJGSA-N -1 0 395.274 3.398 40 0 GGABRM CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)nc1C ZINC000223241447 565907524 /nfs/dbraw/zinc/90/75/24/565907524.db2.gz VIVXOYDPHGQWTE-UHFFFAOYSA-N -1 0 390.870 3.091 40 0 GGABRM CCn1c2cc(Cl)c(S(=O)(=O)[N-]c3ccccc3OC)cc2oc1=O ZINC000223364189 565908955 /nfs/dbraw/zinc/90/89/55/565908955.db2.gz SAQUMIQUPMPJNY-UHFFFAOYSA-N -1 0 382.825 3.077 40 0 GGABRM COc1cc(C(=O)[O-])cc(I)c1OC(=O)c1ccccc1 ZINC000226364457 565919816 /nfs/dbraw/zinc/91/98/16/565919816.db2.gz SSLZCJCNSHIVIK-UHFFFAOYSA-N -1 0 398.152 3.217 40 0 GGABRM O=C([O-])[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242722817 565984689 /nfs/dbraw/zinc/98/46/89/565984689.db2.gz XVLOXJUZKCTQBV-RRFJBIMHSA-N -1 0 381.247 3.090 40 0 GGABRM CN([C@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000260677373 566122859 /nfs/dbraw/zinc/12/28/59/566122859.db2.gz ANDANJWBOOXNNF-OAHLLOKOSA-N -1 0 388.272 3.310 40 0 GGABRM O=C([O-])[C@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)C1 ZINC000263056681 566172266 /nfs/dbraw/zinc/17/22/66/566172266.db2.gz NXUXJRRVXCFDEE-ZETCQYMHSA-N -1 0 397.147 3.286 40 0 GGABRM O=C([O-])[C@H]1CCN(Cc2cc3n(n2)CCC3)c2ccc(Br)cc21 ZINC000635019148 567076488 /nfs/dbraw/zinc/07/64/88/567076488.db2.gz RQRSVBCMQWUPOV-AWEZNQCLSA-N -1 0 376.254 3.170 40 0 GGABRM CN(C(=O)OC(C)(C)C)[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000213070746 570212532 /nfs/dbraw/zinc/21/25/32/570212532.db2.gz OXSCHRIXOPOHCX-MRXNPFEDSA-N -1 0 394.468 3.403 40 0 GGABRM O=C([O-])CCC(=O)N[C@@H]1CCC[C@@H](Nc2ccccc2Oc2ccccc2)[C@@H]1O ZINC000585262430 570230629 /nfs/dbraw/zinc/23/06/29/570230629.db2.gz BQNANLGCNPDLTA-HMFYCAOWSA-N -1 0 398.459 3.154 40 0 GGABRM COc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc(OC)c1OC ZINC000001466076 570231831 /nfs/dbraw/zinc/23/18/31/570231831.db2.gz VIRVPNMYNMQKLI-UHFFFAOYSA-N -1 0 377.418 3.213 40 0 GGABRM CCOc1ccc(C(=O)NC(=S)Nc2ccc(CC(=O)[O-])cc2)cc1Cl ZINC000020153002 570244774 /nfs/dbraw/zinc/24/47/74/570244774.db2.gz OTKMMCSFOYFOLE-UHFFFAOYSA-N -1 0 392.864 3.493 40 0 GGABRM CCCOc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(C(=O)[O-])c2)cc1 ZINC000020152835 570244786 /nfs/dbraw/zinc/24/47/86/570244786.db2.gz BXRXFDWSLFXHMI-UHFFFAOYSA-N -1 0 388.445 3.314 40 0 GGABRM CCOc1ccc(C(=O)NC(=S)NCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000020153000 570244834 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0 GGABRM CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCc1ccccc1 ZINC000217434156 570316057 /nfs/dbraw/zinc/31/60/57/570316057.db2.gz RJOBVSYFZFDPQI-UHFFFAOYSA-N -1 0 376.478 3.116 40 0 GGABRM O=C([O-])c1ccc(NCCc2ccccc2)c(S(=O)(=O)NC2CCCC2)c1 ZINC000217444879 570316281 /nfs/dbraw/zinc/31/62/81/570316281.db2.gz JXDXZJDULLTOIN-UHFFFAOYSA-N -1 0 388.489 3.260 40 0 GGABRM CCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCc1ccccc1 ZINC000217515719 570317461 /nfs/dbraw/zinc/31/74/61/570317461.db2.gz LUBVWVFBDYJOLD-UHFFFAOYSA-N -1 0 376.478 3.465 40 0 GGABRM CC(C)OCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CCCCC1 ZINC000217511291 570317529 /nfs/dbraw/zinc/31/75/29/570317529.db2.gz IJABICTYUCVWTK-UHFFFAOYSA-N -1 0 398.525 3.223 40 0 GGABRM CC(C)CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCc1ccccc1 ZINC000217519686 570317861 /nfs/dbraw/zinc/31/78/61/570317861.db2.gz JMAKZMSMJUPMJB-UHFFFAOYSA-N -1 0 390.505 3.364 40 0 GGABRM O=C([O-])C[C@@]12C[C@H]3C[C@@H](C1)C[C@](n1ncc(NC4CC4)c(Cl)c1=O)(C3)C2 ZINC000217541432 570318000 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CC(C)CCNS(=O)(=O)c1ccc(NCc2ccccc2)c(C(=O)[O-])c1 ZINC000217653315 570319982 /nfs/dbraw/zinc/31/99/82/570319982.db2.gz YQCZTGRDTHVYKZ-UHFFFAOYSA-N -1 0 376.478 3.321 40 0 GGABRM COc1cc(C(=O)[O-])cc(OC)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000217732897 570320475 /nfs/dbraw/zinc/32/04/75/570320475.db2.gz UGTDECHCCRQKOB-UHFFFAOYSA-N -1 0 399.321 3.438 40 0 GGABRM Cc1nn(-c2ccccc2)c(C)c1CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000022386258 570342442 /nfs/dbraw/zinc/34/24/42/570342442.db2.gz UMDHOXJSSSRAQX-UHFFFAOYSA-N -1 0 379.489 3.419 40 0 GGABRM COC(=O)c1ccc([N-]S(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 ZINC000222590222 570415760 /nfs/dbraw/zinc/41/57/60/570415760.db2.gz FSXFTYSKEVJGJU-UHFFFAOYSA-N -1 0 375.446 3.161 40 0 GGABRM COc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)s2)cc1 ZINC000222600735 570416540 /nfs/dbraw/zinc/41/65/40/570416540.db2.gz ZPGRTQJRNCARCL-UHFFFAOYSA-N -1 0 391.474 3.332 40 0 GGABRM CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C(=O)[O-])cc1 ZINC000222754199 570423987 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CC/C=C\C[C@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@@H](O)C/C=C\CCC(=O)[O-] ZINC000034524887 570541568 /nfs/dbraw/zinc/54/15/68/570541568.db2.gz IKFAUGXNBOBQDM-XFMPMKITSA-N -1 0 376.493 3.461 40 0 in-vitro GGABRM COc1ccc(CCN(CC(=O)[O-])C(=O)c2ccccc2Cl)cc1OC ZINC000225316933 570564397 /nfs/dbraw/zinc/56/43/97/570564397.db2.gz MWWBKXICLDIAQT-UHFFFAOYSA-N -1 0 377.824 3.127 40 0 GGABRM COc1cccc(-n2c(COc3ccccc3C)nnc2SCC(=O)[O-])c1 ZINC000001329428 570567613 /nfs/dbraw/zinc/56/76/13/570567613.db2.gz MYKNIXPRPDWTCU-UHFFFAOYSA-N -1 0 385.445 3.340 40 0 GGABRM O=C([O-])CCC/C=C/C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@@H](O)C[C@@H]1O ZINC000043898846 570631225 /nfs/dbraw/zinc/63/12/25/570631225.db2.gz HNPFPERDNWXAGS-ADAUWFJISA-N -1 0 390.520 3.319 40 0 in-vitro GGABRM Cc1ccc(C(=O)C2CCN(CC(=O)Nc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000005008315 570651104 /nfs/dbraw/zinc/65/11/04/570651104.db2.gz AMKUUMAPGRHYGV-UHFFFAOYSA-N -1 0 380.444 3.227 40 0 GGABRM O=C(Nc1ccc(N2CCOCC2)nc1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000025009045 570663981 /nfs/dbraw/zinc/66/39/81/570663981.db2.gz ZQRGMJOWVNEFBU-UHFFFAOYSA-N -1 0 383.839 3.214 40 0 GGABRM O=C([O-])CSc1nnc(Cn2cnc3ccccc32)n1CCc1ccccc1 ZINC000005590837 570666056 /nfs/dbraw/zinc/66/60/56/570666056.db2.gz ONWCAIQQBDXWEL-UHFFFAOYSA-N -1 0 393.472 3.096 40 0 GGABRM C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=S)N[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000006469101 570669356 /nfs/dbraw/zinc/66/93/56/570669356.db2.gz IHOUTULNJLPZEY-VBQJREDUSA-N -1 0 397.610 3.466 40 0 GGABRM CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)[O-])=N[C@@H]1c1ccccc1 ZINC000408990554 570689647 /nfs/dbraw/zinc/68/96/47/570689647.db2.gz OCNRLZNSZBFCEE-GOSISDBHSA-N -1 0 396.468 3.479 40 0 GGABRM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)N=C(SCC(=O)[O-])N1 ZINC000408990124 570689814 /nfs/dbraw/zinc/68/98/14/570689814.db2.gz MRMNGXZXUDOIQB-GOSISDBHSA-N -1 0 381.457 3.417 40 0 GGABRM CCN1C(=O)C(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)NC1=S ZINC000409007800 570692705 /nfs/dbraw/zinc/69/27/05/570692705.db2.gz RRJZNEKIZIEIRW-WJDWOHSUSA-N -1 0 382.441 3.041 40 0 GGABRM Cc1[n-]n(-c2nc3ccccc3o2)c(=O)c1[C@@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000101983854 570718431 /nfs/dbraw/zinc/71/84/31/570718431.db2.gz NZWWQXLHNLUEHC-AWEZNQCLSA-N -1 0 394.431 3.203 40 0 GGABRM Cc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015044155 570722166 /nfs/dbraw/zinc/72/21/66/570722166.db2.gz ATEXKNHLASYCJB-QGZVFWFLSA-N -1 0 395.503 3.229 40 0 GGABRM CCOC(=O)C1=C(NC(=O)[C@@H]2CCC=C(C)[C@@H]2C(=O)[O-])S[C@H]2CCCC[C@H]12 ZINC000005457936 570732990 /nfs/dbraw/zinc/73/29/90/570732990.db2.gz QDRVNQMONSUGDY-XGUBFFRZSA-N -1 0 393.505 3.240 40 0 GGABRM CCOC(=O)C1=C(NC(=O)[C@@H]2CCC=C(C)[C@@H]2C(=O)[O-])S[C@@H]2CCCC[C@H]12 ZINC000005457973 570733065 /nfs/dbraw/zinc/73/30/65/570733065.db2.gz QDRVNQMONSUGDY-YJNKXOJESA-N -1 0 393.505 3.240 40 0 GGABRM Cc1cc(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc1Cl ZINC000000956383 570737935 /nfs/dbraw/zinc/73/79/35/570737935.db2.gz IELSAVTVHIOSRV-SFHVURJKSA-N -1 0 386.835 3.321 40 0 GGABRM CCc1ccc(OCC(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000006709396 570749663 /nfs/dbraw/zinc/74/96/63/570749663.db2.gz WFZLGYYWGQZWLW-UHFFFAOYSA-N -1 0 392.864 3.493 40 0 GGABRM CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(C(C)C)cc2)cc1 ZINC000008729432 570771672 /nfs/dbraw/zinc/77/16/72/570771672.db2.gz ZVMCHWFYTZLRHC-UHFFFAOYSA-N -1 0 390.461 3.048 40 0 GGABRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 ZINC000013678266 570772602 /nfs/dbraw/zinc/77/26/02/570772602.db2.gz PFLCLBILPAGCLK-UHFFFAOYSA-N -1 0 392.477 3.033 40 0 GGABRM O=C([O-])[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]2CCO[C@H]21 ZINC000306128409 570795803 /nfs/dbraw/zinc/79/58/03/570795803.db2.gz GZOUFUFQPKYCFA-UQIDSAAFSA-N -1 0 393.439 3.357 40 0 GGABRM Cc1ccc2nc(C)cc(C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)c2c1 ZINC000022184788 570801180 /nfs/dbraw/zinc/80/11/80/570801180.db2.gz DDGXLQNSHWBHSP-UHFFFAOYSA-N -1 0 378.457 3.422 40 0 GGABRM O=C([O-])c1cc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1NCc1cccnc1 ZINC000013151574 570837186 /nfs/dbraw/zinc/83/71/86/570837186.db2.gz YSVFQQVCMPLENU-IYBDPMFKSA-N -1 0 379.416 3.072 40 0 GGABRM CCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010363542 570850668 /nfs/dbraw/zinc/85/06/68/570850668.db2.gz PITHWJDCGVKSFS-UHFFFAOYSA-N -1 0 390.505 3.261 40 0 GGABRM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000032588256 570909398 /nfs/dbraw/zinc/90/93/98/570909398.db2.gz ATNORUGEOXVIIO-LBPRGKRZSA-N -1 0 380.441 3.163 40 0 GGABRM O=C([O-])c1ccc(CN(Cc2ccccc2)C(=O)c2cn3cccnc3n2)cc1 ZINC000585091714 570920995 /nfs/dbraw/zinc/92/09/95/570920995.db2.gz CDRYPACLVVANAI-UHFFFAOYSA-N -1 0 386.411 3.270 40 0 GGABRM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)C1 ZINC000017079698 570926956 /nfs/dbraw/zinc/92/69/56/570926956.db2.gz HWYRXKAWTRCOJC-FZZIBODNSA-N -1 0 390.505 3.358 40 0 GGABRM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000192962168 570934148 /nfs/dbraw/zinc/93/41/48/570934148.db2.gz KZBCLYDYQFXTKQ-UHFFFAOYSA-N -1 0 381.457 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in-vitro GGABRM CC[C@H](C[C@@H]1CC[C@H]([C@H](C)C(=O)[O-])O1)OC(=O)[C@H](C)[C@@H]1CC[C@H](CC(C)=O)O1 ZINC000108227450 1411454449 /nfs/dbraw/zinc/45/44/49/1411454449.db2.gz XFNIQDLOQLIJTQ-DHSBUKHISA-N -1 0 398.496 3.129 40 0 biogenic,in-vitro GGABRM O=C1C=Cc2ccccc2C1=NNc1cccc2c1cccc2S(=O)(=O)[O-] ZINC000137006434 1417362382 /nfs/dbraw/zinc/36/23/82/1417362382.db2.gz RVOJSMUDWQJPHL-XDOYNYLZSA-N -1 0 378.409 3.499 40 0 GGABRM CC(C)(C)OC(=O)NCc1cc(CNC(=O)OC(C)(C)C)cc(C(=O)[O-])c1 ZINC000142089365 1417572405 /nfs/dbraw/zinc/57/24/05/1417572405.db2.gz MNJPXPFRPNEYSC-UHFFFAOYSA-N -1 0 380.441 3.434 40 0 GGABRM COc1cc(OC)cc(-c2nc(SC(=Cc3cccc(O)c3)C(=O)[O-])n[nH]2)c1 ZINC000209154287 1433355737 /nfs/dbraw/zinc/35/57/37/1433355737.db2.gz IXFVZZIRSAEJQR-APSNUPSMSA-N -1 0 399.428 3.412 40 0 GGABRM O=C([O-])c1ccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000213249986 1433359714 /nfs/dbraw/zinc/35/97/14/1433359714.db2.gz YDNURGPJLUARCO-CPNJWEJPSA-N -1 0 387.395 3.268 40 0 GGABRM COC[C@]1(C(=O)[O-])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218624815 1433365043 /nfs/dbraw/zinc/36/50/43/1433365043.db2.gz RMCNQJAGZGJVFX-RYRKJORJSA-N -1 0 398.839 3.136 40 0 GGABRM COc1ccc(C(=O)Oc2c(CSC)cc(C(=O)[O-])cc2OC)cc1OC ZINC000226289174 1433368537 /nfs/dbraw/zinc/36/85/37/1433368537.db2.gz HFLINVARXNBBAK-UHFFFAOYSA-N -1 0 392.429 3.493 40 0 GGABRM COC[C@]1(C(=O)[O-])[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242648949 1433446675 /nfs/dbraw/zinc/44/66/75/1433446675.db2.gz RMCNQJAGZGJVFX-JZXOWHBKSA-N -1 0 398.839 3.136 40 0 GGABRM COc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 ZINC000242687819 1433447110 /nfs/dbraw/zinc/44/71/10/1433447110.db2.gz UWPIMIGBVITTHM-NSISKUIASA-N -1 0 381.428 3.240 40 0 GGABRM COc1ccc([C@@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 ZINC000242687817 1433447146 /nfs/dbraw/zinc/44/71/46/1433447146.db2.gz UWPIMIGBVITTHM-LSTHTHJFSA-N -1 0 381.428 3.240 40 0 GGABRM CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(COC)C(=O)[O-])cc1 ZINC000252514286 1433863427 /nfs/dbraw/zinc/86/34/27/1433863427.db2.gz BTICWFNWLHJSDX-SFHLNBCPSA-N -1 0 388.485 3.215 40 0 GGABRM Cc1ccc(-n2nc(C(=O)[O-])c(N3CCN(c4ccccc4F)CC3)n2)cc1C ZINC000256046671 1433892974 /nfs/dbraw/zinc/89/29/74/1433892974.db2.gz HKTRHDZVSYQLHB-UHFFFAOYSA-N -1 0 395.438 3.048 40 0 GGABRM O=C([O-])c1cccc(N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)n1 ZINC000263385224 1434004853 /nfs/dbraw/zinc/00/48/53/1434004853.db2.gz DQFACFSQMOFIFS-UHFFFAOYSA-N -1 0 379.460 3.187 40 0 GGABRM O=C([O-])[C@@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000261628016 961383734 /nfs/dbraw/zinc/38/37/34/961383734.db2.gz CRMBDGROYKMFRH-SSDOTTSWSA-N -1 0 397.147 3.286 40 0 GGABRM O=C([O-])c1ccc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000263565986 962732563 /nfs/dbraw/zinc/73/25/63/962732563.db2.gz FVUKXNKUJSWAFN-UHFFFAOYSA-N -1 0 392.377 3.362 40 0 GGABRM Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C2CC2)cc1C(=O)[O-] ZINC000578636585 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GGABRM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)c1 ZINC000223430831 208902910 /nfs/dbraw/zinc/90/29/10/208902910.db2.gz NDRLRDPFHISRIU-UHFFFAOYSA-N -1 0 389.408 3.112 40 0 GGABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(OC(C)C)cc2)cc1C ZINC000224659695 208931134 /nfs/dbraw/zinc/93/11/34/208931134.db2.gz NCUOOSMHEPKZQO-UHFFFAOYSA-N -1 0 393.461 3.071 40 0 GGABRM CCOc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000224967758 208937333 /nfs/dbraw/zinc/93/73/33/208937333.db2.gz KVUMOIGNGUKFLT-UHFFFAOYSA-N -1 0 399.852 3.027 40 0 GGABRM CN([C@@H](Cc1ccccc1Cl)C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000225158538 208942954 /nfs/dbraw/zinc/94/29/54/208942954.db2.gz OQYIZEREAKVHGO-HNNXBMFYSA-N -1 0 388.272 3.310 40 0 GGABRM COc1ccc(CCN(CC(=O)[O-])C(=O)c2cccc(Cl)c2)cc1OC ZINC000225316981 208947510 /nfs/dbraw/zinc/94/75/10/208947510.db2.gz KLXFBYMRCYEVOB-UHFFFAOYSA-N -1 0 377.824 3.127 40 0 GGABRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cnn(COc2ccc(F)cc2Cl)c1 ZINC000032610653 208989297 /nfs/dbraw/zinc/98/92/97/208989297.db2.gz CFRVGKNSPJTUFW-ZIAGYGMSSA-N -1 0 393.802 3.318 40 0 GGABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1 ZINC000226410184 208989607 /nfs/dbraw/zinc/98/96/07/208989607.db2.gz MQAPBAIZMXNEPY-SHUKQUCYSA-N -1 0 382.441 3.462 40 0 GGABRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1nn(Cc2ccc(F)cc2)cc1Cl ZINC000032610713 208990139 /nfs/dbraw/zinc/99/01/39/208990139.db2.gz HBFXKROXAABGNW-UONOGXRCSA-N -1 0 377.803 3.329 40 0 GGABRM C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1c(-c2ccc(F)cc2)noc1C(=O)[O-] ZINC000096296860 209014055 /nfs/dbraw/zinc/01/40/55/209014055.db2.gz HMJSDTLCVDYGDE-SNVBAGLBSA-N -1 0 398.346 3.399 40 0 biogenic,in-vitro GGABRM O=C([O-])c1ccc(CN2C[C@@H](F)[C@@H](OCc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000096112216 209008697 /nfs/dbraw/zinc/00/86/97/209008697.db2.gz QEXLZDITYIUFNM-QAPCUYQASA-N -1 0 387.386 3.139 40 0 biogenic,in-vitro GGABRM C[C@@H](NC(=O)COc1ccccc1)c1c(-c2ccc(F)cc2)noc1C(=O)[O-] ZINC000096296855 209013836 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O=C([O-])c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)cc1 ZINC000408670636 534546791 /nfs/dbraw/zinc/54/67/91/534546791.db2.gz ISSHXZQOHXLPEP-ROUUACIJSA-N -1 0 392.411 3.317 40 0 GGABRM CC(C)OCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408543558 527948024 /nfs/dbraw/zinc/94/80/24/527948024.db2.gz FFXYNLUGTMTGKG-UHFFFAOYSA-N -1 0 376.478 3.032 40 0 GGABRM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000408593402 528047037 /nfs/dbraw/zinc/04/70/37/528047037.db2.gz QDSJZZAITKRTLX-UHFFFAOYSA-N -1 0 377.466 3.370 40 0 GGABRM CCCCN1C(=O)S/C(=C\c2ccc(OCC(=O)[O-])c(OCC)c2)C1=O ZINC000409059445 528451145 /nfs/dbraw/zinc/45/11/45/528451145.db2.gz QZMTVCGKDPWZFT-GDNBJRDFSA-N -1 0 379.434 3.385 40 0 GGABRM CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000409410297 528688589 /nfs/dbraw/zinc/68/85/89/528688589.db2.gz MGKVBSNNUVSDJJ-UHFFFAOYSA-N -1 0 396.896 3.297 40 0 GGABRM CCCCOc1ccccc1/C=c1\sc2nc3ccc(C(=O)[O-])cc3n2c1=O ZINC000408721938 528700364 /nfs/dbraw/zinc/70/03/64/528700364.db2.gz BLTZEQBNKCFZKY-PDGQHHTCSA-N -1 0 394.452 3.334 40 0 GGABRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 ZINC000408612819 528745918 /nfs/dbraw/zinc/74/59/18/528745918.db2.gz YYUULUBOQUOWKZ-UHFFFAOYSA-N -1 0 376.478 3.333 40 0 GGABRM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000408713020 529111957 /nfs/dbraw/zinc/11/19/57/529111957.db2.gz GQDPMWNKGPYSCA-UHFFFAOYSA-N -1 0 386.433 3.446 40 0 GGABRM COc1ccc2[nH]c(C[C@H]3CN(C(=O)C4CCCC4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514289706 560031788 /nfs/dbraw/zinc/03/17/88/560031788.db2.gz YVIRFMXDCVGJNE-HOTGVXAUSA-N -1 0 399.491 3.244 40 0 biogenic,in-vitro GGABRM Cc1ccc2c(c1)C(C[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)[O-])=NCC2 ZINC000049590550 560083515 /nfs/dbraw/zinc/08/35/15/560083515.db2.gz LHCOBKWWLAVPSR-ROUUACIJSA-N -1 0 385.508 3.261 40 0 biogenic,in-vitro GGABRM CCCNC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC2=NCCc3cc(F)ccc32)C1 ZINC000049590597 560083618 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0 376.217 3.298 40 0 GGABRM O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1ccc(F)cc1 ZINC000006615239 564225246 /nfs/dbraw/zinc/22/52/46/564225246.db2.gz XKUSMBUTMUARBC-UHFFFAOYSA-N -1 0 397.225 3.413 40 0 GGABRM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cs1 ZINC000006681622 564227046 /nfs/dbraw/zinc/22/70/46/564227046.db2.gz CXOYVYMYKFEEFW-UHFFFAOYSA-N -1 0 378.397 3.317 40 0 GGABRM O=C(Nc1nnc(S(=O)(=O)[N-]c2ccccc2)s1)c1ccccc1Cl ZINC000006778328 564227144 /nfs/dbraw/zinc/22/71/44/564227144.db2.gz RJYNFWOVZIFBED-UHFFFAOYSA-N -1 0 394.865 3.245 40 0 GGABRM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000007007727 564231032 /nfs/dbraw/zinc/23/10/32/564231032.db2.gz LKFDPIIKQMMTSI-UHFFFAOYSA-N -1 0 377.752 3.440 40 0 GGABRM C#CCOc1ccc(Br)cc1/C=C(\Sc1nnc(C)o1)C(=O)[O-] ZINC000007603821 564239058 /nfs/dbraw/zinc/23/90/58/564239058.db2.gz HBRKXZLMMJEXPH-JYRVWZFOSA-N -1 0 395.234 3.370 40 0 GGABRM Cc1nnc(S/C(=C\c2ccc(I)cc2)C(=O)[O-])o1 ZINC000007603604 564239093 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COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C)c(Br)c1 ZINC000024833406 564333688 /nfs/dbraw/zinc/33/36/88/564333688.db2.gz RQBVOCAWLCLADU-UHFFFAOYSA-N -1 0 390.280 3.406 40 0 GGABRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000120787227 564336685 /nfs/dbraw/zinc/33/66/85/564336685.db2.gz QSTPUBWMWRFJEC-UHFFFAOYSA-N -1 0 380.274 3.198 40 0 GGABRM CCC(=O)NC(=S)Nc1cc(Br)c([O-])c(Br)c1 ZINC000032116622 564396613 /nfs/dbraw/zinc/39/66/13/564396613.db2.gz VVACNBVYCONSME-UHFFFAOYSA-N -1 0 382.077 3.140 40 0 GGABRM COc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc(OC)cc3)s2)cc1 ZINC000033598562 564413099 /nfs/dbraw/zinc/41/30/99/564413099.db2.gz FMKSTCNRRBMNPP-UHFFFAOYSA-N -1 0 377.447 3.023 40 0 GGABRM CS(=O)(=O)[N-]c1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 ZINC000047293438 564518305 /nfs/dbraw/zinc/51/83/05/564518305.db2.gz XCIOZYBHKOPDCL-UHFFFAOYSA-N -1 0 388.883 3.030 40 0 GGABRM Cc1cccc(/C=C(/C(=O)[O-])c2ccc(S(=O)(=O)N3CCCC3)s2)c1 ZINC000057457434 564668660 /nfs/dbraw/zinc/66/86/60/564668660.db2.gz 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1398578110 /nfs/dbraw/zinc/57/81/10/1398578110.db2.gz MZFBONKTPCKGDZ-LSHDLFTRSA-N -1 0 399.472 3.220 40 0 GGABRM CCOc1cccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)c1OCC(=O)[O-] ZINC000006964990 1398578194 /nfs/dbraw/zinc/57/81/94/1398578194.db2.gz FVSYQXQYTAIUMT-LFIBNONCSA-N -1 0 398.440 3.440 40 0 GGABRM Cc1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c1C ZINC000006968449 1398579362 /nfs/dbraw/zinc/57/93/62/1398579362.db2.gz JCTSAUQNJHLEGC-LDADJPATSA-N -1 0 386.411 3.156 40 0 GGABRM O=C([O-])/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)Sc1nc2ccccc2[nH]1 ZINC000007342842 1398656495 /nfs/dbraw/zinc/65/64/95/1398656495.db2.gz MYQWEEPNAYRZNM-UUASQNMZSA-N -1 0 385.357 3.418 40 0 GGABRM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000007360617 1398659828 /nfs/dbraw/zinc/65/98/28/1398659828.db2.gz OQMXJEXGFMAMFN-LBPRGKRZSA-N -1 0 380.441 3.163 40 0 GGABRM Cc1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)C(=O)[O-])o1 ZINC000007365748 1398661184 /nfs/dbraw/zinc/66/11/84/1398661184.db2.gz 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399.493 3.469 40 0 GGABRM CCc1nnc([N-]S(=O)(=O)c2ccc(N3Cc4ccccc4C3=N)cc2)s1 ZINC000028115548 1400130805 /nfs/dbraw/zinc/13/08/05/1400130805.db2.gz WNEDUZBDXALJLF-UHFFFAOYSA-N -1 0 399.501 3.247 40 0 GGABRM O=S(=O)([N-]c1ccc2c(c1)OC(F)(F)O2)c1cnn(Cc2ccccc2)c1 ZINC000058377340 1407819430 /nfs/dbraw/zinc/81/94/30/1407819430.db2.gz XATVJBZBBZEXRL-UHFFFAOYSA-N -1 0 393.371 3.054 40 0 GGABRM CCCOc1ccc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1OC ZINC000062714547 1408292209 /nfs/dbraw/zinc/29/22/09/1408292209.db2.gz KCTGMYKLWDWVNG-NCUBBLFSSA-N -1 0 383.444 3.309 40 0 GGABRM COc1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc1OC(C)C ZINC000062714698 1408292230 /nfs/dbraw/zinc/29/22/30/1408292230.db2.gz QWLXLUAKTMRVSI-KSEUIEODSA-N -1 0 383.444 3.308 40 0 GGABRM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])Cc1ccc(Br)cc1F ZINC000168430317 1425238380 /nfs/dbraw/zinc/23/83/80/1425238380.db2.gz FQCQOJYBIIJXOP-NSHDSACASA-N -1 0 376.222 3.499 40 0 GGABRM COC(=O)[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1Cl 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40 0 GGABRM O=C([O-])COc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1 ZINC000106766303 231019539 /nfs/dbraw/zinc/01/95/39/231019539.db2.gz LKRJXDJDGIBFGM-ATVHPVEESA-N -1 0 399.424 3.265 40 0 GGABRM O=C([O-])CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000408613066 231079844 /nfs/dbraw/zinc/07/98/44/231079844.db2.gz XFJDQTZJMHATIK-INIZCTEOSA-N -1 0 376.453 3.251 40 0 GGABRM O=C([O-])CN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000408595517 231072798 /nfs/dbraw/zinc/07/27/98/231072798.db2.gz QQIATFDLYJZKJR-SDQBBNPISA-N -1 0 381.171 3.231 40 0 GGABRM O=C([O-])COc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000409005834 231146096 /nfs/dbraw/zinc/14/60/96/231146096.db2.gz GONQSYPBVWDTAU-ATVHPVEESA-N -1 0 383.425 3.429 40 0 GGABRM O=C(Cn1cc(/C=C2/NC(=O)[N-]C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000409044907 231150381 /nfs/dbraw/zinc/15/03/81/231150381.db2.gz DFYWUMYGDZTNSN-CXUHLZMHSA-N -1 0 394.818 3.114 40 0 GGABRM COc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1OCc1ccccc1 ZINC000409126395 231167839 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PCGBDQIYZICPAA-ONCXSQPRSA-N -1 0 384.476 3.155 40 0 GGABRM Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(O)cc2)c(=O)[n-]1 ZINC000016777440 210197507 /nfs/dbraw/zinc/19/75/07/210197507.db2.gz WGQBHSAGIPPTLR-UHFFFAOYSA-N -1 0 382.445 3.297 40 0 GGABRM CC(C)Oc1cccc(-c2nnc(SCc3ccc(C(=O)[O-])cc3)n2N)c1 ZINC000016756225 210196938 /nfs/dbraw/zinc/19/69/38/210196938.db2.gz GQRWODBXUDOECB-UHFFFAOYSA-N -1 0 384.461 3.437 40 0 GGABRM O=C([O-])c1cccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1 ZINC000015013541 210142676 /nfs/dbraw/zinc/14/26/76/210142676.db2.gz GGQCGXMSBSPBFC-CPNJWEJPSA-N -1 0 387.395 3.268 40 0 GGABRM O=C([O-])[C@H](Cc1ccc(OC(=O)c2ccccc2)cc1)NC(=O)c1ccccc1 ZINC000014824964 210130005 /nfs/dbraw/zinc/13/00/05/210130005.db2.gz UMTSYXVWHRVSQY-FQEVSTJZSA-N -1 0 389.407 3.332 40 0 GGABRM COC(=O)c1ccc(NC(=O)COc2c(C(=O)[O-])ccc3ccccc32)cc1 ZINC000013086318 210048788 /nfs/dbraw/zinc/04/87/88/210048788.db2.gz DFUNBKNLAIBLMF-UHFFFAOYSA-N -1 0 379.368 3.342 40 0 GGABRM O=C([O-])COc1ccc(/C=C2\N=C(c3cccc(OC(F)F)c3)OC2=O)cc1 ZINC000012858516 210019500 /nfs/dbraw/zinc/01/95/00/210019500.db2.gz BOTQUKDSLBXNHB-NVNXTCNLSA-N -1 0 389.310 3.096 40 0 GGABRM CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)[O-] ZINC000004652224 209506358 /nfs/dbraw/zinc/50/63/58/209506358.db2.gz YFKSAVBJECMZLF-OSRDXIQISA-N -1 0 377.462 3.393 40 0 GGABRM CCCCc1c(C)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2)nc1Cl ZINC000003848729 209454648 /nfs/dbraw/zinc/45/46/48/209454648.db2.gz HDHCGZMVKWREHJ-UHFFFAOYSA-N -1 0 382.873 3.291 40 0 GGABRM COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000002121699 209347703 /nfs/dbraw/zinc/34/77/03/209347703.db2.gz OWTHTMOGLSWSIH-MHWRWJLKSA-N -1 0 385.397 3.400 40 0 GGABRM O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[O-])cc1 ZINC000001732157 209336754 /nfs/dbraw/zinc/33/67/54/209336754.db2.gz IOUPTPFZEGTKSD-UHFFFAOYSA-N -1 0 376.217 3.258 40 0 GGABRM CC(C)c1ccc(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000000956379 209283477 /nfs/dbraw/zinc/28/34/77/209283477.db2.gz VKGKYDBSLQOYPR-FQEVSTJZSA-N -1 0 380.444 3.482 40 0 GGABRM CCN1c2ccc([N-]S(=O)(=O)c3cccs3)cc2OCC(C)(C)C1=O ZINC000009166094 209248205 /nfs/dbraw/zinc/24/82/05/209248205.db2.gz OPGBZNAMJQAYOC-UHFFFAOYSA-N -1 0 380.491 3.320 40 0 GGABRM O=C([O-])[C@H]1CCCN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000238070884 209214248 /nfs/dbraw/zinc/21/42/48/209214248.db2.gz YSMYOULYJYCBFD-LBPRGKRZSA-N -1 0 394.880 3.241 40 0 GGABRM Cc1cccc(/C=C(\C(=O)[O-])c2ccc(S(=O)(=O)N3CCCC3)s2)c1 ZINC000008321345 209189284 /nfs/dbraw/zinc/18/92/84/209189284.db2.gz DRQVAHAZDPDPCC-QINSGFPZSA-N -1 0 377.487 3.466 40 0 GGABRM COc1ccc(C)cc1NC(=O)COc1ccc(Br)cc1C(=O)[O-] ZINC000217719533 209184782 /nfs/dbraw/zinc/18/47/82/209184782.db2.gz AYSORGOKJKSKAW-UHFFFAOYSA-N -1 0 394.221 3.482 40 0 GGABRM COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)o2)cc1 ZINC000072191498 212058674 /nfs/dbraw/zinc/05/86/74/212058674.db2.gz CZPNJJAJBCJNTA-UHFFFAOYSA-N -1 0 399.428 3.098 40 0 GGABRM CC(C)(C)C(=O)N1CCC[C@H](Cc2cc(-c3cncc(C(=O)[O-])c3)ncn2)C1 ZINC000257336859 212028474 /nfs/dbraw/zinc/02/84/74/212028474.db2.gz YQHSGRQAPUUBQK-CQSZACIVSA-N -1 0 382.464 3.064 40 0 GGABRM CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(C(=O)CCCC(=O)[O-])C[C@H]3C[C@@H]21 ZINC000257341447 212027653 /nfs/dbraw/zinc/02/76/53/212027653.db2.gz ZKJBXWCMGQGLLT-PCPGWFQFSA-N -1 0 387.476 3.407 40 0 GGABRM CC(C)(C)C(=O)N1CCC[C@@H](Cc2cnc(-c3cncc(C(=O)[O-])c3)cn2)C1 ZINC000257341873 212027403 /nfs/dbraw/zinc/02/74/03/212027403.db2.gz ZMGZQQWFGHPRQZ-AWEZNQCLSA-N -1 0 382.464 3.064 40 0 GGABRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cc(-n2cccn2)ccc1Cl ZINC000257310406 212022488 /nfs/dbraw/zinc/02/24/88/212022488.db2.gz UEYSAESLDSSRFZ-UHFFFAOYSA-N -1 0 396.255 3.298 40 0 GGABRM Cc1nc(-c2cncc(C(=O)[O-])c2)cc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 ZINC000257303917 212020854 /nfs/dbraw/zinc/02/08/54/212020854.db2.gz SJHUCFIXVVAWMH-CQSZACIVSA-N -1 0 382.464 3.297 40 0 GGABRM CC(=O)N[C@]1(C)C[C@H](c2ccccc2OCC(=O)[O-])O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257289555 212018142 /nfs/dbraw/zinc/01/81/42/212018142.db2.gz PZDLXJVTSKLQAN-UFXVLNHOSA-N -1 0 375.465 3.311 40 0 GGABRM CCn1c(C)nc2cc(C(=O)N(CCc3ccc(F)cc3)CC(=O)[O-])ccc21 ZINC000257228057 212006960 /nfs/dbraw/zinc/00/69/60/212006960.db2.gz FSCMZOCXVYCEOK-UHFFFAOYSA-N -1 0 383.423 3.273 40 0 GGABRM O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2)cc1 ZINC000257225731 212006993 /nfs/dbraw/zinc/00/69/93/212006993.db2.gz FHNGEPWOXYKMKB-UHFFFAOYSA-N -1 0 398.406 3.424 40 0 GGABRM COc1ccc(CN(CC(=O)[O-])C(=O)c2ccc3c(c2)ncn3C(C)C)cc1 ZINC000257223178 212004809 /nfs/dbraw/zinc/00/48/09/212004809.db2.gz DWGSWIJDQIITHF-UHFFFAOYSA-N -1 0 381.432 3.353 40 0 GGABRM Cc1cc(-c2cncc(C(=O)[O-])c2)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000257199745 212001709 /nfs/dbraw/zinc/00/17/09/212001709.db2.gz AARFQDOLCRXTSQ-UHFFFAOYSA-N -1 0 382.464 3.297 40 0 GGABRM CCCC[C@H]1Oc2ccc(S(=O)(=O)[N-]c3ccc(C)cn3)cc2NC1=O ZINC000252510334 211986061 /nfs/dbraw/zinc/98/60/61/211986061.db2.gz ZHSHKFXZJCVNOK-MRXNPFEDSA-N -1 0 375.450 3.081 40 0 GGABRM CC(C)CS(=O)(=O)N[C@H](C)c1onc(-c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000096297041 211968642 /nfs/dbraw/zinc/96/86/42/211968642.db2.gz KDTYCXNDLQFGER-SNVBAGLBSA-N -1 0 386.857 3.330 40 0 biogenic,in-vitro GGABRM C[C@@H](NS(=O)(=O)c1ccccc1)c1c(-c2ccc(F)cc2)noc1C(=O)[O-] ZINC000096296872 211967883 /nfs/dbraw/zinc/96/78/83/211967883.db2.gz SUZZFUAIXWTBDG-LLVKDONJSA-N -1 0 390.392 3.218 40 0 biogenic,in-vitro GGABRM CC(C)(C)c1csc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)n1 ZINC000096183252 211966825 /nfs/dbraw/zinc/96/68/25/211966825.db2.gz RYHGXFRJWLYYBA-UHFFFAOYSA-N -1 0 393.534 3.283 40 0 GGABRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc2c(C)cc(=O)[nH]c2cc1Cl ZINC000227148804 211949024 /nfs/dbraw/zinc/94/90/24/211949024.db2.gz XBAWVZMDRKWJFD-UHFFFAOYSA-N -1 0 390.848 3.493 40 0 GGABRM CC1=C[C@@H](CNS(=O)(=O)c2cccc(F)c2)[C@H](C(C)C)C[C@H]1CC(=O)[O-] ZINC000030882194 211932776 /nfs/dbraw/zinc/93/27/76/211932776.db2.gz NPMVUALGCXVVIK-MPGHIAIKSA-N -1 0 383.485 3.433 40 0 biogenic,in-vitro GGABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)Nc1sccc1C(=O)NC1CCCC1 ZINC000225772588 211925789 /nfs/dbraw/zinc/92/57/89/211925789.db2.gz HNNGWAXWXLDLBI-SHUKQUCYSA-N -1 0 388.489 3.272 40 0 GGABRM Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2F)s1 ZINC000225289718 211890108 /nfs/dbraw/zinc/89/01/08/211890108.db2.gz HBLOESIBPJRXFY-UHFFFAOYSA-N -1 0 392.437 3.039 40 0 GGABRM CCOc1ccc(C(=O)[O-])cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224830020 211872913 /nfs/dbraw/zinc/87/29/13/211872913.db2.gz VDINYGOPDOWEGJ-UHFFFAOYSA-N -1 0 383.853 3.258 40 0 GGABRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(OC)c(OC)cc1C(C)=O ZINC000223253777 211827211 /nfs/dbraw/zinc/82/72/11/211827211.db2.gz HLRNRTRCTFBGPU-UHFFFAOYSA-N -1 0 399.852 3.369 40 0 GGABRM O=C(Nc1nnc(S(=O)(=O)[N-]c2ccccc2)s1)c1ccc(Cl)cc1 ZINC000223067863 211822100 /nfs/dbraw/zinc/82/21/00/211822100.db2.gz XUSOQXPWIZKQDA-UHFFFAOYSA-N -1 0 394.865 3.245 40 0 GGABRM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c1 ZINC000222741441 211809790 /nfs/dbraw/zinc/80/97/90/211809790.db2.gz LHFMXGFVBOIPBV-UHFFFAOYSA-N -1 0 389.458 3.101 40 0 GGABRM CCOCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCCCC1 ZINC000217452266 211749005 /nfs/dbraw/zinc/74/90/05/211749005.db2.gz NBXSVNQJMWGZBP-UHFFFAOYSA-N -1 0 398.525 3.224 40 0 GGABRM CC(C)(C)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)[O-] ZINC000217614553 211751286 /nfs/dbraw/zinc/75/12/86/211751286.db2.gz MQOADFPWRPJEEE-UHFFFAOYSA-N -1 0 376.478 3.116 40 0 GGABRM CC(C)CNc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000217607777 211751042 /nfs/dbraw/zinc/75/10/42/211751042.db2.gz RUKISCVICBIMNQ-AWEZNQCLSA-N -1 0 376.478 3.492 40 0 GGABRM Cc1sc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)nc1-c1ccc(F)cc1 ZINC000013989322 211701830 /nfs/dbraw/zinc/70/18/30/211701830.db2.gz HBVXMRVXWZRHPR-CRWXNKLISA-N -1 0 376.409 3.074 40 0 GGABRM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)nn2C)cc1F ZINC000174011694 211603474 /nfs/dbraw/zinc/60/34/74/211603474.db2.gz LNAGVZUAWSLJEH-UHFFFAOYSA-N -1 0 375.425 3.344 40 0 GGABRM COc1cccc(OCc2nnc(SCC(=O)[O-])n2CCc2ccccc2)c1 ZINC000000929046 211498546 /nfs/dbraw/zinc/49/85/46/211498546.db2.gz NUNYGQLPZRTRJR-UHFFFAOYSA-N -1 0 399.472 3.285 40 0 GGABRM COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000047949063 211453715 /nfs/dbraw/zinc/45/37/15/211453715.db2.gz MLUWHUYVWPEVNZ-UHFFFAOYSA-N -1 0 375.324 3.213 40 0 GGABRM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1cc2ccccc2o1 ZINC000102182176 211408140 /nfs/dbraw/zinc/40/81/40/211408140.db2.gz GNXMBENWSABVTF-NSHDSACASA-N -1 0 379.441 3.459 40 0 GGABRM O=C([O-])c1cccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3Cl)C2=O)c1 ZINC000101274976 211397063 /nfs/dbraw/zinc/39/70/63/211397063.db2.gz RYWFGODRQNHLIJ-ZDUSSCGKSA-N -1 0 379.199 3.436 40 0 GGABRM O=C(c1[nH]nc(C(=O)C23CC4CC(CC(C4)C2)C3)c1[O-])c1ccc(Cl)cc1 ZINC000100921465 211392507 /nfs/dbraw/zinc/39/25/07/211392507.db2.gz QHVWGOPVXGYDST-KWGKBLMISA-N -1 0 384.863 3.205 40 0 GGABRM CCOC(=O)c1ccc(-c2n[n-]c3nc4sc5c(c4c(=O)n32)CCCC5)cc1 ZINC000100748839 211390977 /nfs/dbraw/zinc/39/09/77/211390977.db2.gz CGJBHZRYJUAYTQ-UHFFFAOYSA-N -1 0 394.456 3.355 40 0 GGABRM O=C(c1cccs1)C1=NOC2=C([O-])N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000100354852 211386805 /nfs/dbraw/zinc/38/68/05/211386805.db2.gz HKYYASWCYRGVDR-YJBOKZPZSA-N -1 0 376.393 3.028 40 0 GGABRM Cc1[n-]n2c(nc3c(c2=O)CN(C(=O)CCc2cccnc2)C3)c1-c1ccccc1 ZINC000100215414 211384745 /nfs/dbraw/zinc/38/47/45/211384745.db2.gz YSGBZMYQKIWUKM-UHFFFAOYSA-N -1 0 399.454 3.280 40 0 GGABRM Nc1c(Br)cc(Br)c2cc(S(=O)(=O)[O-])ccc12 ZINC000098175556 211380664 /nfs/dbraw/zinc/38/06/64/211380664.db2.gz GELSSGSNJLGKQF-UHFFFAOYSA-N -1 0 381.045 3.194 40 0 GGABRM Nc1c(Br)cc(Br)c2ccc(S(=O)(=O)[O-])cc12 ZINC000098175558 211380510 /nfs/dbraw/zinc/38/05/10/211380510.db2.gz GSGOKFDCFTYJMS-UHFFFAOYSA-N -1 0 381.045 3.194 40 0 GGABRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Br)ccn1 ZINC000098175388 211380179 /nfs/dbraw/zinc/38/01/79/211380179.db2.gz VEYYOVPJKLKZDM-UHFFFAOYSA-N -1 0 390.646 3.008 40 0 GGABRM Nc1c(Br)cc(Br)c2c1cccc2S(=O)(=O)[O-] ZINC000098175560 211379356 /nfs/dbraw/zinc/37/93/56/211379356.db2.gz KEKONMQAPBKFTR-UHFFFAOYSA-N -1 0 381.045 3.194 40 0 GGABRM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1 ZINC000223368232 211369225 /nfs/dbraw/zinc/36/92/25/211369225.db2.gz RLTBLPPGLKAUAU-UHFFFAOYSA-N -1 0 392.177 3.226 40 0 GGABRM COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000095532109 211276340 /nfs/dbraw/zinc/27/63/40/211276340.db2.gz JAVVWIVPVPLXKC-LJQANCHMSA-N -1 0 382.416 3.246 40 0 GGABRM COc1ccc(-c2nn(C)c(C(=O)[O-])c2Br)cc1Br ZINC000095097251 211220347 /nfs/dbraw/zinc/22/03/47/211220347.db2.gz VVCXUBNBMJONMV-UHFFFAOYSA-N -1 0 390.031 3.319 40 0 GGABRM Cc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2C(=O)CCC(=O)[O-])c1 ZINC000095116073 211220198 /nfs/dbraw/zinc/22/01/98/211220198.db2.gz MUBMTHRJAFBXKS-KRWDZBQOSA-N -1 0 380.400 3.266 40 0 GGABRM CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)ccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000079440264 211155674 /nfs/dbraw/zinc/15/56/74/211155674.db2.gz BTQZXYIXKPHNHY-CQSZACIVSA-N -1 0 389.279 3.499 40 0 GGABRM CCc1nnc([N-]c2cc([C@@H]3CCCN3Cc3cnn(C)c3)nc(C)n2)s1 ZINC000072360353 211100585 /nfs/dbraw/zinc/10/05/85/211100585.db2.gz GWPOSBZGDWNWAY-HNNXBMFYSA-N -1 0 384.513 3.013 40 0 GGABRM CC1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(Br)cc1 ZINC000071979890 211067342 /nfs/dbraw/zinc/06/73/42/211067342.db2.gz GNTRBAWKVHWQPE-WKXXDYOBSA-N -1 0 382.254 3.281 40 0 GGABRM CC1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cccc(Br)c1 ZINC000071979885 211066964 /nfs/dbraw/zinc/06/69/64/211066964.db2.gz NSKCDPOZPLITFV-CHHLVHLRSA-N -1 0 382.254 3.281 40 0 GGABRM COc1cc(-c2ncc(C(=O)[O-])c(NCc3ccccc3)n2)cc(OC)c1OC ZINC000049469842 210863328 /nfs/dbraw/zinc/86/33/28/210863328.db2.gz IRAWASATTODOFW-UHFFFAOYSA-N -1 0 395.415 3.480 40 0 GGABRM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)c(C)c1 ZINC000047454311 210842167 /nfs/dbraw/zinc/84/21/67/210842167.db2.gz LYVGPKHQHCLUIG-UHFFFAOYSA-N -1 0 388.489 3.349 40 0 GGABRM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1ccccc1 ZINC000013354349 210801119 /nfs/dbraw/zinc/80/11/19/210801119.db2.gz LTPQWXUIGFUWIN-UHFFFAOYSA-N -1 0 382.445 3.394 40 0 GGABRM CCc1nn2c(ncc3c(=O)n([C@H](C)C(=O)[O-])ccc32)c1-c1ccc(F)cc1 ZINC000040396784 210785981 /nfs/dbraw/zinc/78/59/81/210785981.db2.gz VDKLTSCPWOHWCY-LLVKDONJSA-N -1 0 380.379 3.058 40 0 GGABRM COc1ccc2c(CCNc3nc(=O)c(-c4ccc(C)cc4)n[n-]3)c[nH]c2c1 ZINC000027526278 210513007 /nfs/dbraw/zinc/51/30/07/210513007.db2.gz QSAUTMSIDCFWKY-UHFFFAOYSA-N -1 0 375.432 3.285 40 0 GGABRM O=C([O-])c1ccc(CNC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000020151979 210319310 /nfs/dbraw/zinc/31/93/10/210319310.db2.gz WURYGCRWKOGWFC-UHFFFAOYSA-N -1 0 383.256 3.496 40 0 GGABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000020151857 210319401 /nfs/dbraw/zinc/31/94/01/210319401.db2.gz KWSLQNFMBCLYFK-UHFFFAOYSA-N -1 0 382.800 3.313 40 0 GGABRM 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528553505 /nfs/dbraw/zinc/55/35/05/528553505.db2.gz QXXGAWWONZQRJV-UHFFFAOYSA-N -1 0 380.441 3.165 40 0 GGABRM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)ccc2OC)ccc1OC ZINC000408586185 529107513 /nfs/dbraw/zinc/10/75/13/529107513.db2.gz MHPXTRFVLFAAOX-UHFFFAOYSA-N -1 0 394.449 3.381 40 0 GGABRM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cc1 ZINC000408559253 529111724 /nfs/dbraw/zinc/11/17/24/529111724.db2.gz WEBACMIYOUMYES-UHFFFAOYSA-N -1 0 380.422 3.073 40 0 GGABRM CCC(CC)C(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](Cc2nc3ccccc3n2C)C1 ZINC000514290044 560030895 /nfs/dbraw/zinc/03/08/95/560030895.db2.gz RXNDRCVWRHEFBX-IRXDYDNUSA-N -1 0 385.508 3.491 40 0 biogenic,in-vitro GGABRM COc1cccc2[nH]c(C[C@H]3CN(C(=O)CC(C)C)CC[C@H]3CC(=O)[O-])nc21 ZINC000514289289 560032828 /nfs/dbraw/zinc/03/28/28/560032828.db2.gz PHEFNBGABJMHOG-GJZGRUSLSA-N -1 0 387.480 3.100 40 0 biogenic,in-vitro GGABRM COc1ccc(-c2noc([C@@H](C)NC(=O)COc3ccccc3)c2C(=O)[O-])cc1 ZINC000096296926 560060028 /nfs/dbraw/zinc/06/00/28/560060028.db2.gz 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ZINC000007342680 564236367 /nfs/dbraw/zinc/23/63/67/564236367.db2.gz LYFCQAACQZUCSE-WCIBSUBMSA-N -1 0 399.222 3.341 40 0 GGABRM COc1cc(Br)cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])c1O ZINC000007603503 564239195 /nfs/dbraw/zinc/23/91/95/564239195.db2.gz ZVHNESBQHAVBGW-WMZJFQQLSA-N -1 0 387.211 3.073 40 0 GGABRM CCN1CCOc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C1=O ZINC000008961618 564252031 /nfs/dbraw/zinc/25/20/31/564252031.db2.gz ZTWLZASEODQCLJ-UHFFFAOYSA-N -1 0 386.882 3.057 40 0 GGABRM CN(Cc1ccco1)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000009859289 564255255 /nfs/dbraw/zinc/25/52/55/564255255.db2.gz KDVYQYGYVJCYAH-UHFFFAOYSA-N -1 0 376.459 3.414 40 0 GGABRM O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 ZINC000012630520 564269415 /nfs/dbraw/zinc/26/94/15/564269415.db2.gz FSPPGQDKTXVLDT-JXMROGBWSA-N -1 0 382.235 3.348 40 0 GGABRM O=S(=O)([N-]c1cccc(Cl)c1)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000013585710 564277518 /nfs/dbraw/zinc/27/75/18/564277518.db2.gz VTONLWQQOMSTLE-UHFFFAOYSA-N -1 0 396.877 3.179 40 0 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3.329 40 0 GGABRM Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000032610398 570690565 /nfs/dbraw/zinc/69/05/65/570690565.db2.gz NPXQLTANSLBURB-SJORKVTESA-N -1 0 387.411 3.281 40 0 GGABRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1nn(Cc2ccc(F)cc2)cc1Cl ZINC000032610715 570690577 /nfs/dbraw/zinc/69/05/77/570690577.db2.gz HBFXKROXAABGNW-ZIAGYGMSSA-N -1 0 377.803 3.329 40 0 GGABRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1nn(Cc2ccc(F)cc2)cc1Cl ZINC000032610716 570690684 /nfs/dbraw/zinc/69/06/84/570690684.db2.gz HBFXKROXAABGNW-KGLIPLIRSA-N -1 0 377.803 3.329 40 0 GGABRM C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000017946340 570720084 /nfs/dbraw/zinc/72/00/84/570720084.db2.gz XJUSSBQDDBGNPV-LBPRGKRZSA-N -1 0 382.445 3.264 40 0 GGABRM CCOC(=O)C1=C(NC(=O)[C@@H]2CCC=C(C)[C@@H]2C(=O)[O-])S[C@H]2CCCC[C@@H]12 ZINC000005457958 570733145 /nfs/dbraw/zinc/73/31/45/570733145.db2.gz QDRVNQMONSUGDY-KBXIAJHMSA-N -1 0 393.505 3.240 40 0 GGABRM CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OCC)cc1 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ZINC000006395013 220932886 /nfs/dbraw/zinc/93/28/86/220932886.db2.gz WWRDUVVZKOFKDE-OWMRDYPQSA-N -1 0 384.457 3.312 40 0 GGABRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000007708262 221007453 /nfs/dbraw/zinc/00/74/53/221007453.db2.gz RIIDUZTZWJNBAF-UHFFFAOYSA-N -1 0 380.853 3.276 40 0 GGABRM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CCSC)c1 ZINC000007814191 221013249 /nfs/dbraw/zinc/01/32/49/221013249.db2.gz OFROCFBCQAKFNU-UHFFFAOYSA-N -1 0 380.491 3.188 40 0 GGABRM O=S(=O)([N-]c1cc(Cl)ccc1-n1cncn1)c1ccc(F)c(F)c1F ZINC000008053101 221024806 /nfs/dbraw/zinc/02/48/06/221024806.db2.gz BFWJODUPYLEUEL-UHFFFAOYSA-N -1 0 388.758 3.139 40 0 GGABRM NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000008195487 221030023 /nfs/dbraw/zinc/03/00/23/221030023.db2.gz ILJOJUZGAWOCBL-UHFFFAOYSA-N -1 0 378.759 3.259 40 0 GGABRM Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CCCC(=O)[O-])C1 ZINC000008623957 221047119 /nfs/dbraw/zinc/04/71/19/221047119.db2.gz NRINFWKUBVVICO-RTBURBONSA-N -1 0 381.476 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377.422 3.175 40 0 GGABRM Cc1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)c(=O)[n-]2)cc1C ZINC000016806885 221372892 /nfs/dbraw/zinc/37/28/92/221372892.db2.gz MCKIRYYFORNVQD-UHFFFAOYSA-N -1 0 382.445 3.297 40 0 GGABRM COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)[O-])c(Br)c1O ZINC000016892821 221373144 /nfs/dbraw/zinc/37/31/44/221373144.db2.gz TYPNITVHOXISAO-XFXZXTDPSA-N -1 0 392.205 3.019 40 0 GGABRM O=C([O-])c1ccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)cc1 ZINC000016900944 221373493 /nfs/dbraw/zinc/37/34/93/221373493.db2.gz DBFGDUBOBSSSFK-CYBMUJFWSA-N -1 0 379.199 3.436 40 0 GGABRM CCCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1O2 ZINC000017080854 221378510 /nfs/dbraw/zinc/37/85/10/221378510.db2.gz DMNVEVOHPONZJG-MXYBEHONSA-N -1 0 395.477 3.002 40 0 GGABRM Cc1cc(C)c(OCC(=O)NCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000020144437 221474588 /nfs/dbraw/zinc/47/45/88/221474588.db2.gz MURLULAFVRJFNQ-UHFFFAOYSA-N -1 0 392.249 3.459 40 0 GGABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccccc1C ZINC000020151483 221475215 /nfs/dbraw/zinc/47/52/15/221475215.db2.gz FGBMKLVZGLJWPN-UHFFFAOYSA-N -1 0 378.837 3.482 40 0 GGABRM COCCN1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2[O-])C1=O ZINC000409139223 533340818 /nfs/dbraw/zinc/34/08/18/533340818.db2.gz BRZASYODIZUAMO-YHYXMXQVSA-N -1 0 392.658 3.491 40 0 GGABRM COc1cccc([N-]S(=O)(=O)c2cc3c(C)cc(=O)[nH]c3cc2Cl)c1 ZINC000217433767 533619274 /nfs/dbraw/zinc/61/92/74/533619274.db2.gz YQMCQYQQAMMQGX-UHFFFAOYSA-N -1 0 378.837 3.299 40 0 GGABRM COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000408622205 533622384 /nfs/dbraw/zinc/62/23/84/533622384.db2.gz OPRVXGGGCWBOIH-UHFFFAOYSA-N -1 0 394.836 3.182 40 0 GGABRM COc1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000408548142 533651401 /nfs/dbraw/zinc/65/14/01/533651401.db2.gz PSCZPUPYFAUPSC-UHFFFAOYSA-N -1 0 396.468 3.426 40 0 GGABRM O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000017080978 136202258 /nfs/dbraw/zinc/20/22/58/136202258.db2.gz OBOLXMFGCWUCPO-RMHZUWNSSA-N -1 0 396.409 3.101 40 0 GGABRM COc1ccc(S(=O)(=O)[N-]c2cnn(Cc3cccc(Cl)c3)c2)cc1 ZINC000028220621 221670483 /nfs/dbraw/zinc/67/04/83/221670483.db2.gz QNPMMYSFQJAXFA-UHFFFAOYSA-N -1 0 377.853 3.394 40 0 GGABRM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)cc1C ZINC000055566953 222023149 /nfs/dbraw/zinc/02/31/49/222023149.db2.gz CNIHWISJUVJJFW-UHFFFAOYSA-N -1 0 388.489 3.349 40 0 GGABRM COC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000060065989 222058289 /nfs/dbraw/zinc/05/82/89/222058289.db2.gz ZJDDKBPJWXJYQA-UHFFFAOYSA-N -1 0 375.446 3.161 40 0 GGABRM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000060333006 222059590 /nfs/dbraw/zinc/05/95/90/222059590.db2.gz HGLYNDBFJKVULJ-LSDHHAIUSA-N -1 0 387.263 3.172 40 0 GGABRM C[C@H](O)c1c(C(F)(F)F)n[n-]c1S(=O)(=O)c1ccc(Br)cc1 ZINC000064220198 222071500 /nfs/dbraw/zinc/07/15/00/222071500.db2.gz UHFXEANHRJVVRR-LURJTMIESA-N -1 0 399.188 3.077 40 0 GGABRM O=C([O-])COCCN1CCN([C@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000065739218 222136033 /nfs/dbraw/zinc/13/60/33/222136033.db2.gz KIDBOSZFDKRHNX-OAQYLSRUSA-N -1 0 388.895 3.148 40 0 in-vitro GGABRM CC1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccccc1Br ZINC000071979902 222202932 /nfs/dbraw/zinc/20/29/32/222202932.db2.gz FVPGYEOEPSWXQR-WKXXDYOBSA-N -1 0 382.254 3.281 40 0 GGABRM CC1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccccc1Br ZINC000071979903 222203242 /nfs/dbraw/zinc/20/32/42/222203242.db2.gz FVPGYEOEPSWXQR-CHHLVHLRSA-N -1 0 382.254 3.281 40 0 GGABRM COc1ccc(CC(=O)N2[C@H](C(=O)[O-])COC23CCC(C(C)(C)C)CC3)cc1 ZINC000071980465 222203339 /nfs/dbraw/zinc/20/33/39/222203339.db2.gz RLKJNOORYCAWDM-OJCRERRGSA-N -1 0 389.492 3.482 40 0 GGABRM O=C([O-])c1ccc(CN2CCOC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 ZINC000072322080 222225900 /nfs/dbraw/zinc/22/59/00/222225900.db2.gz HWDASPLETCHHIN-IBGZPJMESA-N -1 0 381.407 3.488 40 0 biogenic,in-vitro GGABRM O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2ccnc([N-]c3ncccn3)n2)C1 ZINC000072377939 222244791 /nfs/dbraw/zinc/24/47/91/222244791.db2.gz UWFKQIYVWRSMCX-INIZCTEOSA-N -1 0 392.438 3.098 40 0 GGABRM O=C(CCc1ccccc1)N1CCC[C@@H](c2ccnc([N-]c3ncccn3)n2)C1 ZINC000072377695 222245171 /nfs/dbraw/zinc/24/51/71/222245171.db2.gz FXUMCMCOVMJZOW-GOSISDBHSA-N -1 0 388.475 3.349 40 0 GGABRM O=C([O-])c1ccc(Br)c(NC(=S)NC(=O)c2cccs2)c1 ZINC000085342939 222323179 /nfs/dbraw/zinc/32/31/79/222323179.db2.gz PPTNMLVCDBJVCU-UHFFFAOYSA-N -1 0 385.264 3.336 40 0 GGABRM Nc1cc2nc(-c3cccc(I)c3)oc2c(C(=O)[O-])c1 ZINC000073641714 222271260 /nfs/dbraw/zinc/27/12/60/222271260.db2.gz VZEVRDFGQXYHFV-UHFFFAOYSA-N -1 0 380.141 3.380 40 0 GGABRM C[C@H](CC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000077311920 222277775 /nfs/dbraw/zinc/27/77/75/222277775.db2.gz SHUYNJFEXPRUGR-RTCCEZQESA-N -1 0 394.552 3.059 40 0 in-vitro GGABRM Cc1ccc2[nH]c(CO[C@H]3CN(Cc4ccc(C(=O)[O-])cc4)C[C@H]3F)nc2c1 ZINC000096112300 222381751 /nfs/dbraw/zinc/38/17/51/222381751.db2.gz OPJAVZGZWHPNPI-APWZRJJASA-N -1 0 383.423 3.309 40 0 biogenic,in-vitro GGABRM COc1ccc2c(c1)C1(C[C@H]2CC(=O)[O-])CCN(C(=O)c2cnoc2C)CC1 ZINC000096156872 222393334 /nfs/dbraw/zinc/39/33/34/222393334.db2.gz CEPBCCYCQVIOSZ-CQSZACIVSA-N -1 0 384.432 3.128 40 0 GGABRM O=c1cc(CSc2ccccn2)nc2[n-]c(SCc3ccccc3)nn21 ZINC000100071809 222456067 /nfs/dbraw/zinc/45/60/67/222456067.db2.gz ANMDWXLSWNJNDC-UHFFFAOYSA-N -1 0 381.486 3.397 40 0 GGABRM CN(C)c1ccc([C@H](O)c2c(=O)n(-c3ccccc3)[n-]c2C(F)(F)F)cc1 ZINC000100355033 222458305 /nfs/dbraw/zinc/45/83/05/222458305.db2.gz DJBAIQBNPDYFNV-HOTGVXAUSA-N -1 0 377.366 3.367 40 0 GGABRM O=C(c1cccs1)C1=NOC2=C([O-])N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000100354856 222458844 /nfs/dbraw/zinc/45/88/44/222458844.db2.gz HKYYASWCYRGVDR-QAPCUYQASA-N -1 0 376.393 3.028 40 0 GGABRM O=C([O-])CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000408613073 534494674 /nfs/dbraw/zinc/49/46/74/534494674.db2.gz XFJDQTZJMHATIK-MRXNPFEDSA-N -1 0 376.453 3.251 40 0 GGABRM O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(Br)c2)N1 ZINC000409045762 534784356 /nfs/dbraw/zinc/78/43/56/534784356.db2.gz HLXWAEXZHBEEOV-RIYZIHGNSA-N -1 0 391.196 3.348 40 0 GGABRM CC(C)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@@H](C)c1ccccc1 ZINC000217424135 528065663 /nfs/dbraw/zinc/06/56/63/528065663.db2.gz IFGNAQYZMCZPPP-AWEZNQCLSA-N -1 0 376.478 3.492 40 0 GGABRM CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O ZINC000409244445 528174964 /nfs/dbraw/zinc/17/49/64/528174964.db2.gz CUSSTGUIMHMVGL-LDADJPATSA-N -1 0 380.400 3.267 40 0 GGABRM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1OCC ZINC000408586803 529107504 /nfs/dbraw/zinc/10/75/04/529107504.db2.gz RCKPYBBJKJSXFS-UHFFFAOYSA-N -1 0 394.449 3.463 40 0 GGABRM CC[C@@H](C)N1C(=O)S/C(=C/c2cccc(OC)c2O[C@@H](C)C(=O)[O-])C1=O ZINC000409240929 529350022 /nfs/dbraw/zinc/35/00/22/529350022.db2.gz MFKKOYVPNWTFRV-RPHWRIDRSA-N -1 0 379.434 3.382 40 0 GGABRM O=C([O-])C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000514288387 560035229 /nfs/dbraw/zinc/03/52/29/560035229.db2.gz BYUGCKVEHVFTMB-HOTGVXAUSA-N 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/nfs/dbraw/zinc/22/51/39/564225139.db2.gz CIKCTOKMUACKTF-UHFFFAOYSA-N -1 0 379.235 3.274 40 0 GGABRM O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000006615139 564225488 /nfs/dbraw/zinc/22/54/88/564225488.db2.gz NJULUWVRRQIAPF-UHFFFAOYSA-N -1 0 397.225 3.413 40 0 GGABRM Cc1ccc(OCC(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000006845554 564228259 /nfs/dbraw/zinc/22/82/59/564228259.db2.gz IKQTZUCTUPRQEL-UHFFFAOYSA-N -1 0 378.837 3.239 40 0 GGABRM O=C([O-])c1cc(NC(=S)NC(=O)C(Cl)(Cl)Cl)ccc1Cl ZINC000006861868 564228867 /nfs/dbraw/zinc/22/88/67/564228867.db2.gz UALQYSDGKYWNGO-UHFFFAOYSA-N -1 0 376.048 3.221 40 0 GGABRM Cc1cccc(OCC(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000006860444 564228930 /nfs/dbraw/zinc/22/89/30/564228930.db2.gz PEUPORVGYNLVEZ-UHFFFAOYSA-N -1 0 378.837 3.239 40 0 GGABRM Cc1cccc(OCC(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000006860442 564229132 /nfs/dbraw/zinc/22/91/32/564229132.db2.gz BNHLUBNKJPNVNE-UHFFFAOYSA-N -1 0 378.837 3.239 40 0 GGABRM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000007050502 564230928 /nfs/dbraw/zinc/23/09/28/564230928.db2.gz WMKBFTQJNARTKM-UHFFFAOYSA-N -1 0 382.239 3.135 40 0 GGABRM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000007230216 564233547 /nfs/dbraw/zinc/23/35/47/564233547.db2.gz NMRPPFPYASDUCE-UHFFFAOYSA-N -1 0 390.280 3.406 40 0 GGABRM CCc1nc(SC(=Cc2cc3c(cc2Br)OCO3)C(=O)[O-])n[nH]1 ZINC000007342442 564236309 /nfs/dbraw/zinc/23/63/09/564236309.db2.gz VQQLFPBDCCNGJF-WCIBSUBMSA-N -1 0 398.238 3.076 40 0 GGABRM CCc1nc(SC(=Cc2cc(Br)c(N(C)C)o2)C(=O)[O-])n[nH]1 ZINC000007342537 564236402 /nfs/dbraw/zinc/23/64/02/564236402.db2.gz ZPCCJUVEQCCRSG-TWGQIWQCSA-N -1 0 387.259 3.006 40 0 GGABRM CCc1nnc(S/C(=C\c2cc(Br)c(N(C)C)o2)C(=O)[O-])o1 ZINC000007508517 564238223 /nfs/dbraw/zinc/23/82/23/564238223.db2.gz OETQHOWZWPEPPZ-TWGQIWQCSA-N -1 0 388.243 3.271 40 0 GGABRM Cc1nnc(S/C(=C\c2cccc(I)c2)C(=O)[O-])o1 ZINC000007603814 564238860 /nfs/dbraw/zinc/23/88/60/564238860.db2.gz GNAZCLPTYAPCDR-POHAHGRESA-N -1 0 388.186 3.200 40 0 GGABRM COc1cc(C(=O)[O-])cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000007604178 564239038 /nfs/dbraw/zinc/23/90/38/564239038.db2.gz NNXJVSWMKVXFJS-UHFFFAOYSA-N -1 0 380.194 3.173 40 0 GGABRM Cc1nnc(S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)[O-])o1 ZINC000007603559 564239062 /nfs/dbraw/zinc/23/90/62/564239062.db2.gz NJMZPOFYWCFWAC-JYOAFUTRSA-N -1 0 385.195 3.087 40 0 GGABRM COc1cc(C(=O)[O-])cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000007604141 564239107 /nfs/dbraw/zinc/23/91/07/564239107.db2.gz HJZQJPTYDHNCBG-UHFFFAOYSA-N -1 0 394.221 3.482 40 0 GGABRM COc1cc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)ccc1F ZINC000008480212 564249807 /nfs/dbraw/zinc/24/98/07/564249807.db2.gz ZEQAYHBRXRTFLK-UHFFFAOYSA-N -1 0 375.805 3.306 40 0 GGABRM O=C([O-])Cc1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1 ZINC000020151806 564305297 /nfs/dbraw/zinc/30/52/97/564305297.db2.gz PTMWLSWQOHPYFJ-UHFFFAOYSA-N -1 0 393.262 3.203 40 0 GGABRM COc1ccc(Br)cc1C(=O)Nc1cc(C)c(O)c(C(=O)[O-])c1 ZINC000020141243 564305414 /nfs/dbraw/zinc/30/54/14/564305414.db2.gz JAVPGSDGWSWYHC-UHFFFAOYSA-N -1 0 380.194 3.422 40 0 GGABRM Cc1cc(C)c(OCC(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(Br)c1 ZINC000020144443 564305441 /nfs/dbraw/zinc/30/54/41/564305441.db2.gz LVCPUAUNGYZAOL-UHFFFAOYSA-N -1 0 394.221 3.487 40 0 GGABRM COc1c(C)cc(Br)cc1C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000020143113 564305473 /nfs/dbraw/zinc/30/54/73/564305473.db2.gz XZRPVGRJDTVKSV-UHFFFAOYSA-N -1 0 380.194 3.422 40 0 GGABRM Cc1cccc(OCC(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000020153680 564305577 /nfs/dbraw/zinc/30/55/77/564305577.db2.gz KPTQEROUKAFVME-UHFFFAOYSA-N -1 0 378.837 3.239 40 0 GGABRM Cc1cn2c(nc(C)c(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c2=O)s1 ZINC000020922081 564308012 /nfs/dbraw/zinc/30/80/12/564308012.db2.gz XIIYRALMGFTHQN-UHFFFAOYSA-N -1 0 377.491 3.297 40 0 GGABRM Cc1ccc(CSCCNC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000025689662 564340690 /nfs/dbraw/zinc/34/06/90/564340690.db2.gz VEAVUBICYFHJFR-UHFFFAOYSA-N -1 0 378.519 3.030 40 0 GGABRM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(S(C)(=O)=O)cc3s2)c(C)c1 ZINC000028577716 564363383 /nfs/dbraw/zinc/36/33/83/564363383.db2.gz UKHLYZASXVSHQA-UHFFFAOYSA-N -1 0 396.515 3.117 40 0 GGABRM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(S(C)(=O)=O)cc3s2)cc1C ZINC000028577717 564363826 /nfs/dbraw/zinc/36/38/26/564363826.db2.gz MMMGHYXJFHFFIV-UHFFFAOYSA-N -1 0 396.515 3.117 40 0 GGABRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)cc1 ZINC000038695973 564424038 /nfs/dbraw/zinc/42/40/38/564424038.db2.gz GUDLCJVFURZXPT-UHFFFAOYSA-N -1 0 380.853 3.276 40 0 GGABRM Cn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000047992081 564529912 /nfs/dbraw/zinc/52/99/12/564529912.db2.gz IBVJKVLRMVEMFI-UHFFFAOYSA-N -1 0 393.266 3.045 40 0 GGABRM COc1ccc(/C=C/C(=O)Nc2nc(CC(=O)[O-])cs2)cc1Br ZINC000062714527 564713383 /nfs/dbraw/zinc/71/33/83/564713383.db2.gz IKOFRFRXCOEPSG-HWKANZROSA-N -1 0 397.250 3.193 40 0 GGABRM Cc1ccc(O)c(S(=O)(=O)[N-]c2ccc([S@](=O)C(F)(F)F)cc2)c1 ZINC000079001701 564866043 /nfs/dbraw/zinc/86/60/43/564866043.db2.gz DLTZQSYXSZBXHA-HSZRJFAPSA-N -1 0 379.381 3.129 40 0 GGABRM COc1cccc(N(CC(=O)[O-])S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000113879366 565071308 /nfs/dbraw/zinc/07/13/08/565071308.db2.gz QPKBEDCPWYOSSG-UHFFFAOYSA-N -1 0 390.244 3.282 40 0 GGABRM Cc1cc(S(=O)(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)sc1C(=O)[O-] ZINC000274276667 565365480 /nfs/dbraw/zinc/36/54/80/565365480.db2.gz GQMPAVRKHWLZGP-JTQLQIEISA-N -1 0 377.443 3.024 40 0 GGABRM O=C([O-])CCC1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000393112641 565568985 /nfs/dbraw/zinc/56/89/85/565568985.db2.gz WTRZXUXRXYHXDZ-UHFFFAOYSA-N -1 0 397.827 3.207 40 0 GGABRM COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])cc(Br)c1O ZINC000209172907 565894407 /nfs/dbraw/zinc/89/44/07/565894407.db2.gz AUSCFZHRZXYIDZ-YHYXMXQVSA-N -1 0 387.211 3.073 40 0 GGABRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000223328024 565908730 /nfs/dbraw/zinc/90/87/30/565908730.db2.gz BJBNIIDMZYNPCN-UHFFFAOYSA-N -1 0 389.216 3.237 40 0 GGABRM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000223428488 565908872 /nfs/dbraw/zinc/90/88/72/565908872.db2.gz OVTJHFZETYVPPJ-UHFFFAOYSA-N -1 0 388.214 3.176 40 0 GGABRM CCSc1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000224281802 565910380 /nfs/dbraw/zinc/91/03/80/565910380.db2.gz GRIGYGJYNOKBOJ-UHFFFAOYSA-N -1 0 386.524 3.045 40 0 GGABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2)c(Cl)c1Cl ZINC000224609794 565911396 /nfs/dbraw/zinc/91/13/96/565911396.db2.gz RMLGUUHVCBBYLL-UHFFFAOYSA-N -1 0 390.244 3.282 40 0 GGABRM CSc1cccc([N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 ZINC000224609864 565911462 /nfs/dbraw/zinc/91/14/62/565911462.db2.gz YZXKPTKJPCXHDA-UHFFFAOYSA-N -1 0 386.524 3.045 40 0 GGABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(C)cc2C)cc1Cl ZINC000224947375 565912321 /nfs/dbraw/zinc/91/23/21/565912321.db2.gz IFSBCSVRJSBGLW-UHFFFAOYSA-N -1 0 383.853 3.245 40 0 GGABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Cl)cc2)cc1Cl ZINC000224950577 565912385 /nfs/dbraw/zinc/91/23/85/565912385.db2.gz 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CCc1ccccc1C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225156895 565913767 /nfs/dbraw/zinc/91/37/67/565913767.db2.gz OVEKHWDHVDHWRP-QGZVFWFLSA-N -1 0 381.881 3.219 40 0 GGABRM COc1ccc(O[C@@H](Cc2ccc(I)cc2)C(=O)[O-])cc1 ZINC000225068723 565913947 /nfs/dbraw/zinc/91/39/47/565913947.db2.gz KATWCDPCFBMXPT-HNNXBMFYSA-N -1 0 398.196 3.375 40 0 GGABRM O=C([O-])/C=C/c1ccc(OCc2cccnc2)c(I)c1 ZINC000226332909 565919748 /nfs/dbraw/zinc/91/97/48/565919748.db2.gz VRNOGMQVQNXLCQ-GQCTYLIASA-N -1 0 381.169 3.363 40 0 GGABRM Cc1c(Cl)cccc1S(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)cc1 ZINC000257317304 566122342 /nfs/dbraw/zinc/12/23/42/566122342.db2.gz VJERAZDKTPUQQG-UHFFFAOYSA-N -1 0 378.881 3.367 40 0 GGABRM CC[C@H]1CCCCN1c1nn(-c2ccc(Br)cc2)nc1C(=O)[O-] ZINC000256046446 566122460 /nfs/dbraw/zinc/12/24/60/566122460.db2.gz FYTVHKFXKDWADH-LBPRGKRZSA-N -1 0 379.258 3.497 40 0 GGABRM CN([C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000260679645 566122854 /nfs/dbraw/zinc/12/28/54/566122854.db2.gz 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ZINC000020153006 570244923 /nfs/dbraw/zinc/24/49/23/570244923.db2.gz JZWPLEKWPMQAPZ-UHFFFAOYSA-N -1 0 394.836 3.269 40 0 GGABRM O=C([O-])c1ccc(NC(=S)NC(=O)C2(c3ccccc3)CCCC2)cc1O ZINC000020153559 570245241 /nfs/dbraw/zinc/24/52/41/570245241.db2.gz AGNVZFRHIKFPDJ-UHFFFAOYSA-N -1 0 384.457 3.415 40 0 GGABRM O=C(C=Cc1c[nH]cn1)N1CCCC[C@@H]1c1csc([N-]c2ncccn2)n1 ZINC000585291057 570259501 /nfs/dbraw/zinc/25/95/01/570259501.db2.gz IUSUUASXFFNVJT-LLYBFZRZSA-N -1 0 381.465 3.167 40 0 GGABRM CN(C)c1ccc([C@@H](O)c2c(=O)n(-c3ccccc3)[n-]c2C(F)(F)F)cc1 ZINC000100355037 570271277 /nfs/dbraw/zinc/27/12/77/570271277.db2.gz DJBAIQBNPDYFNV-JKSUJKDBSA-N -1 0 377.366 3.367 40 0 GGABRM CCCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-] ZINC000005671792 570272525 /nfs/dbraw/zinc/27/25/25/570272525.db2.gz DMNVEVOHPONZJG-OSRDXIQISA-N -1 0 395.477 3.002 40 0 GGABRM Cc1ccc(CC(=O)N[C@H](C)c2cc(=O)n3[n-]c(C4CCOCC4)cc3n2)cc1 ZINC000100769379 570277385 /nfs/dbraw/zinc/27/73/85/570277385.db2.gz 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O=C([O-])c1ccc(NC2CCCCC2)c(S(=O)(=O)NCc2ccco2)c1 ZINC000217493377 570316984 /nfs/dbraw/zinc/31/69/84/570316984.db2.gz HKMPIHPJPJCKIR-UHFFFAOYSA-N -1 0 378.450 3.201 40 0 GGABRM COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCC1=CCCCC1 ZINC000217530544 570317804 /nfs/dbraw/zinc/31/78/04/570317804.db2.gz JZNPFRVMWQHAAP-CQSZACIVSA-N -1 0 396.509 3.000 40 0 GGABRM COC[C@@H](C)Nc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(=O)[O-] ZINC000217588190 570318917 /nfs/dbraw/zinc/31/89/17/570318917.db2.gz JAAZLBHPEGXKSO-CQSZACIVSA-N -1 0 396.509 3.000 40 0 GGABRM CC(C)CCNc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)[O-] ZINC000217617213 570319178 /nfs/dbraw/zinc/31/91/78/570319178.db2.gz AOVLTHXGDGZRQC-UHFFFAOYSA-N -1 0 390.505 3.364 40 0 GGABRM COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1OC(F)F ZINC000024867617 570319636 /nfs/dbraw/zinc/31/96/36/570319636.db2.gz COLPPXCWAGNFNZ-RUDMXATFSA-N -1 0 399.371 3.195 40 0 GGABRM CCCCCNS(=O)(=O)c1ccc(NCCCOC(C)C)c(C(=O)[O-])c1 ZINC000217650820 570319767 /nfs/dbraw/zinc/31/97/67/570319767.db2.gz NTZBNLYBLRQVGB-UHFFFAOYSA-N -1 0 386.514 3.080 40 0 GGABRM CCC[C@@H](C)NS(=O)(=O)c1ccc(NCCCOC(C)C)c(C(=O)[O-])c1 ZINC000217660921 570319821 /nfs/dbraw/zinc/31/98/21/570319821.db2.gz LLYRZJJOYLGKFE-CQSZACIVSA-N -1 0 386.514 3.079 40 0 GGABRM COC[C@@H](C)NS(=O)(=O)c1ccc(NCCC2=CCCCC2)c(C(=O)[O-])c1 ZINC000217664304 570319965 /nfs/dbraw/zinc/31/99/65/570319965.db2.gz ILTVIPVCBDLKJJ-CQSZACIVSA-N -1 0 396.509 3.000 40 0 GGABRM Cc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000035092947 570347753 /nfs/dbraw/zinc/34/77/53/570347753.db2.gz DRDQTRIMAZCCRT-IOASZLSFSA-N -1 0 384.379 3.160 40 0 GGABRM O=c1[nH]c2ccccc2nc(C(F)(F)F)c1=N[N-]c1cc(-c2ccccc2)[nH]n1 ZINC000003849170 570352271 /nfs/dbraw/zinc/35/22/71/570352271.db2.gz MCTNNPHCKOVSCO-UHFFFAOYSA-N -1 0 398.348 3.260 40 0 GGABRM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)(C)C)cc1C ZINC000408617972 570364840 /nfs/dbraw/zinc/36/48/40/570364840.db2.gz IFXPTZIXVWRSHB-UHFFFAOYSA-N -1 0 376.478 3.333 40 0 GGABRM Cc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)Cc1ccccc1 ZINC000408626867 570379030 /nfs/dbraw/zinc/37/90/30/570379030.db2.gz IZUZVBSWPCFNSP-UHFFFAOYSA-N -1 0 397.529 3.066 40 0 GGABRM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)cc1 ZINC000024256938 570381523 /nfs/dbraw/zinc/38/15/23/570381523.db2.gz ARWPKRWBBIFUBT-UHFFFAOYSA-N -1 0 391.445 3.231 40 0 GGABRM COc1ccc(C2NC(=O)N=C2c2c([O-])c3ccccc3oc2=O)cc1OC ZINC000524729539 570420670 /nfs/dbraw/zinc/42/06/70/570420670.db2.gz XVOCBHCNBVNLSZ-UHFFFAOYSA-N -1 0 380.356 3.279 40 0 biogenic GGABRM O=C([O-])C[C@@H]1CCN(C(=O)c2ccccc2)[C@@H](Cc2c[nH]c3ccccc23)[C@H]1O ZINC000005106401 570429826 /nfs/dbraw/zinc/42/98/26/570429826.db2.gz KQHASOHAMJBGGH-BUKVSMQUSA-N -1 0 392.455 3.077 40 0 GGABRM O=C([O-])[C@@H](NC(=O)CC1c2ccccc2-c2ccccc21)[C@H](O)c1ccccc1 ZINC000005199414 570431121 /nfs/dbraw/zinc/43/11/21/570431121.db2.gz MNHKZDBFPORCSD-XZOQPEGZSA-N -1 0 387.435 3.492 40 0 GGABRM O=C([O-])CCC/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1 ZINC000027642009 570438007 /nfs/dbraw/zinc/43/80/07/570438007.db2.gz YFHHIZGZVLHBQZ-NIJACDJUSA-N -1 0 388.504 3.095 40 0 in-vitro GGABRM CC/C=C\C[C@H](O)/C=C/C=C/C=C\C=C/[C@@H](O)[C@@H](O)C/C=C\CCC(=O)[O-] ZINC000027647296 570438042 /nfs/dbraw/zinc/43/80/42/570438042.db2.gz OIWTWACQMDFHJG-CFFOKQHJSA-N -1 0 376.493 3.461 40 0 in-vitro GGABRM CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000005632949 570449545 /nfs/dbraw/zinc/44/95/45/570449545.db2.gz CIAMVGPVWOFUQI-HOTGVXAUSA-N -1 0 382.888 3.100 40 0 GGABRM CCCC[C@@H](NC(=O)[C@H](CCCC)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000005706604 570452095 /nfs/dbraw/zinc/45/20/95/570452095.db2.gz WFQHTBYDWHZANB-DLBZAZTESA-N -1 0 378.469 3.231 40 0 GGABRM CC(C)(C)N(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CO)C(=O)[O-] ZINC000005713775 570452594 /nfs/dbraw/zinc/45/25/94/570452594.db2.gz GARJEKBLJXRZFB-IBGZPJMESA-N -1 0 383.444 3.482 40 0 GGABRM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(OC)c(OC)cc1C(C)=O ZINC000223254430 570453168 /nfs/dbraw/zinc/45/31/68/570453168.db2.gz KBGHCFLRTGJVFK-UHFFFAOYSA-N -1 0 379.434 3.024 40 0 GGABRM CC(C)Oc1ccc([N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 ZINC000223310701 570457642 /nfs/dbraw/zinc/45/76/42/570457642.db2.gz RKDZPPBQVJCKOM-UHFFFAOYSA-N -1 0 398.510 3.111 40 0 GGABRM CCOc1ccccc1[N-]S(=O)(=O)c1cc2oc(=O)n(CC)c2cc1Cl ZINC000223364346 570461680 /nfs/dbraw/zinc/46/16/80/570461680.db2.gz RFJVTTXEPVYGPF-UHFFFAOYSA-N -1 0 396.852 3.467 40 0 GGABRM CCC(=O)N1[C@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006263669 570474912 /nfs/dbraw/zinc/47/49/12/570474912.db2.gz SHFLHFXIBBCUQD-KKSFZXQISA-N -1 0 392.411 3.234 40 0 GGABRM CCc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)ccc1OC ZINC000223682128 570478434 /nfs/dbraw/zinc/47/84/34/570478434.db2.gz WKRGAAWAKOFQLS-UHFFFAOYSA-N -1 0 388.489 3.294 40 0 GGABRM COc1ccc(/C=C(\C(=O)[O-])c2ccc(S(=O)(=O)N3CCCC3)s2)cc1 ZINC000006431789 570479993 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COc1ccc(NC(=O)c2ccccc2NC(=O)CCCC(=O)[O-])c(OC)c1 ZINC000008434573 1398831840 /nfs/dbraw/zinc/83/18/40/1398831840.db2.gz PSLNQTWEUJOZGJ-UHFFFAOYSA-N -1 0 386.404 3.150 40 0 GGABRM COc1ccc(OC)c(NC(=O)c2ccccc2NC(=O)CCCC(=O)[O-])c1 ZINC000008434576 1398832013 /nfs/dbraw/zinc/83/20/13/1398832013.db2.gz ZXOILMUZRXHWKF-UHFFFAOYSA-N -1 0 386.404 3.150 40 0 GGABRM O=C([O-])c1cccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1 ZINC000008470258 1398832629 /nfs/dbraw/zinc/83/26/29/1398832629.db2.gz VVHQBGKHDFDWQE-QZTJIDSGSA-N -1 0 390.395 3.093 40 0 GGABRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OC ZINC000008477292 1398833627 /nfs/dbraw/zinc/83/36/27/1398833627.db2.gz ISLYELQJROQDID-MDWZMJQESA-N -1 0 392.839 3.152 40 0 GGABRM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1OCC ZINC000008477258 1398833697 /nfs/dbraw/zinc/83/36/97/1398833697.db2.gz VLXOVUSSESDFIU-FOWTUZBSSA-N -1 0 384.432 3.055 40 0 GGABRM COc1ccc(-c2nn(CCC(=O)[O-])cc2C=C2SC(=S)NC2=O)cc1 ZINC000012656564 1399051879 /nfs/dbraw/zinc/05/18/79/1399051879.db2.gz GKLMGVZGMKNSNT-JYRVWZFOSA-N -1 0 389.458 3.363 40 0 GGABRM COc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3C)c2)cc1OC ZINC000014224849 1399093366 /nfs/dbraw/zinc/09/33/66/1399093366.db2.gz MPNHMFGJDZWZPZ-UHFFFAOYSA-N -1 0 387.461 3.058 40 0 GGABRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccn(Cc3ccccc3C)n2)c1 ZINC000014222845 1399093675 /nfs/dbraw/zinc/09/36/75/1399093675.db2.gz PBSNBTXHYCUISK-UHFFFAOYSA-N -1 0 387.461 3.058 40 0 GGABRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cnn(Cc3ccccc3C)c2)c1 ZINC000014224846 1399093712 /nfs/dbraw/zinc/09/37/12/1399093712.db2.gz ZQUBZQVHFOZVBP-UHFFFAOYSA-N -1 0 387.461 3.058 40 0 GGABRM C#C[C@]1(OS(=O)(=O)[O-])CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000022065390 1399435025 /nfs/dbraw/zinc/43/50/25/1399435025.db2.gz GCUIJBFFHDSMDP-XGXHKTLJSA-N -1 0 378.490 3.320 40 0 GGABRM COc1ccc2c(CCNc3nc(=O)c(-c4ccc(F)cc4)n[n-]3)c[nH]c2c1 ZINC000027526468 1400050387 /nfs/dbraw/zinc/05/03/87/1400050387.db2.gz VDPLUAGNLGEUBA-UHFFFAOYSA-N -1 0 379.395 3.116 40 0 GGABRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3c(ccc(C)c3C)s2)cc1 ZINC000028221479 1400140588 /nfs/dbraw/zinc/14/05/88/1400140588.db2.gz QCNGTLYMYCOOJU-UHFFFAOYSA-N -1 0 375.475 3.094 40 0 GGABRM COc1ccc(OC)c(S(=O)(=O)[N-]c2nc3c(ccc(C)c3C)s2)c1 ZINC000028221517 1400140701 /nfs/dbraw/zinc/14/07/01/1400140701.db2.gz PLOVLTDPPCOVRS-UHFFFAOYSA-N -1 0 378.475 3.153 40 0 GGABRM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000028248272 1400143087 /nfs/dbraw/zinc/14/30/87/1400143087.db2.gz YQPZKBGNIAISNI-UHFFFAOYSA-N -1 0 391.474 3.454 40 0 GGABRM C#C[C@]1(OS(=O)(=O)[O-])C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC ZINC000044960202 1404025960 /nfs/dbraw/zinc/02/59/60/1404025960.db2.gz SMQMRJROCFPMKI-XUDSTZEESA-N -1 0 390.501 3.486 40 0 GGABRM COc1cc([N+](=O)[O-])cc(/C=C(/Sc2nc3ccccc3[nH]2)C(=O)[O-])c1O ZINC000050548037 1405598921 /nfs/dbraw/zinc/59/89/21/1405598921.db2.gz IRCMBCADZCJXIN-VGOFMYFVSA-N -1 0 387.373 3.403 40 0 GGABRM CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C(F)(F)F)[n-]n2c1=O ZINC000106894651 1411316593 /nfs/dbraw/zinc/31/65/93/1411316593.db2.gz MKFQPXWDXFKFNO-UHFFFAOYSA-N -1 0 379.338 3.122 40 0 GGABRM O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1-c1nnn[n-]1 ZINC000019658167 1423551620 /nfs/dbraw/zinc/55/16/20/1423551620.db2.gz OWPYXMNCSHLWBB-UHFFFAOYSA-N -1 0 397.851 3.215 40 0 GGABRM Cc1cccc(C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nnn[n-]2)c1 ZINC000005519748 1423628582 /nfs/dbraw/zinc/62/85/82/1423628582.db2.gz WVFUBANFCUKENQ-HNNXBMFYSA-N -1 0 375.354 3.492 40 0 GGABRM CCn1nnc(=NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)[n-]1 ZINC000408629366 1424100045 /nfs/dbraw/zinc/10/00/45/1424100045.db2.gz ZBXQWCBJXRNJML-GQCTYLIASA-N -1 0 378.219 3.334 40 0 GGABRM COc1cc(OC)cc(-c2nc(SC(=Cc3ccncc3)C(=O)[O-])n[nH]2)c1 ZINC000213370853 1433359707 /nfs/dbraw/zinc/35/97/07/1433359707.db2.gz USGYAHVIUKPOIN-CHHVJCJISA-N -1 0 384.417 3.102 40 0 GGABRM CCCc1nc(SC(=Cc2cc(OC)c(OC)c(OC)c2)C(=O)[O-])n[nH]1 ZINC000213386884 1433359824 /nfs/dbraw/zinc/35/98/24/1433359824.db2.gz LXZLCPZBVFVJQH-LCYFTJDESA-N -1 0 379.438 3.001 40 0 GGABRM CN1C[C@H]2c3cc(Cl)ccc3Oc3ccc(OS(=O)(=O)[O-])cc3[C@@H]2C1 ZINC000216129504 1433362673 /nfs/dbraw/zinc/36/26/73/1433362673.db2.gz MFUYPKMLVSJPJJ-GJZGRUSLSA-N -1 0 381.837 3.440 40 0 GGABRM COC[C@@]1(C(=O)[O-])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218625054 1433365040 /nfs/dbraw/zinc/36/50/40/1433365040.db2.gz RMCNQJAGZGJVFX-XYJFISCASA-N -1 0 398.839 3.136 40 0 GGABRM COC[C@]1(C(=O)[O-])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218624970 1433365082 /nfs/dbraw/zinc/36/50/82/1433365082.db2.gz RMCNQJAGZGJVFX-BQFCYCMXSA-N -1 0 398.839 3.136 40 0 GGABRM CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)SC1=S ZINC000222169980 1433366326 /nfs/dbraw/zinc/36/63/26/1433366326.db2.gz CRLWIEVYWZVPJE-NVMIICNKSA-N -1 0 393.486 3.174 40 0 GGABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)Nc1sccc1C(=O)N1CCCCC1 ZINC000226380698 1433368520 /nfs/dbraw/zinc/36/85/20/1433368520.db2.gz IPNHNTCVZFLVFR-LQKXBSAESA-N -1 0 388.489 3.226 40 0 GGABRM Cc1ccc(OCC(=O)NC(=S)Nc2cccc(/C=C/C(=O)[O-])c2)cc1C ZINC000226323319 1433368540 /nfs/dbraw/zinc/36/85/40/1433368540.db2.gz CQVHCLKPQUWACZ-VQHVLOKHSA-N -1 0 384.457 3.293 40 0 GGABRM COC[C@@]1(C(=O)[O-])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 ZINC000242495112 1433446455 /nfs/dbraw/zinc/44/64/55/1433446455.db2.gz FVCLSEPBWHVHPX-LMMKCTJWSA-N -1 0 394.876 3.306 40 0 GGABRM CCOc1ccccc1-n1nc(C(=O)[O-])c(N2CC[C@@H](c3ccccc3)C2)n1 ZINC000256047484 1433893031 /nfs/dbraw/zinc/89/30/31/1433893031.db2.gz MQKBWCRWPKKWDL-MRXNPFEDSA-N -1 0 378.432 3.358 40 0 GGABRM O=C([O-])Cc1ccc(C[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)cc1 ZINC000257226216 1433895058 /nfs/dbraw/zinc/89/50/58/1433895058.db2.gz FJRFBECYZXFYDU-FQEVSTJZSA-N -1 0 383.444 3.141 40 0 GGABRM