smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cnn1CC(C)C ZINC000677417416 733944258 /nfs/dbraw/zinc/94/42/58/733944258.db2.gz CNKKREQXAJHTMG-UHFFFAOYSA-N -1 1 369.418 2.740 50 0 FFAAMM CCn1c(NCc2nc3ccc(OC)cc3[nH]2)nc2cc(C(=O)[O-])cnc21 ZINC001506413603 1059504367 /nfs/dbraw/zinc/50/43/67/1059504367.db2.gz JBXJAOKOFKOYQH-UHFFFAOYSA-N -1 1 366.381 2.646 50 0 FFAAMM O=C1C[C@H](c2cccc(Cl)c2Cl)c2c(=O)nc3[n-]cnn3c2N1 ZINC000004625368 204151961 /nfs/dbraw/zinc/15/19/61/204151961.db2.gz HLCAGNBEEOONMQ-SSDOTTSWSA-N -1 1 350.165 2.611 50 0 FFAAMM Cc1cccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c1C ZINC000004270345 204129634 /nfs/dbraw/zinc/12/96/34/204129634.db2.gz XFQFIRJPAQNMQG-UHFFFAOYSA-N -1 1 356.447 2.940 50 0 FFAAMM CCn1cnc2cc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000005483924 204211565 /nfs/dbraw/zinc/21/15/65/204211565.db2.gz NIDACEHZMLPGHX-UHFFFAOYSA-N -1 1 361.423 2.874 50 0 FFAAMM COC[C@@H](C)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010314260 204394029 /nfs/dbraw/zinc/39/40/29/204394029.db2.gz IALXQVGOUDBYMK-CQSZACIVSA-N -1 1 362.451 2.561 50 0 FFAAMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000054294740 205198579 /nfs/dbraw/zinc/19/85/79/205198579.db2.gz WJIJOMQJYYLEKA-UHFFFAOYSA-N -1 1 355.799 2.777 50 0 FFAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 ZINC000064946745 205310547 /nfs/dbraw/zinc/31/05/47/205310547.db2.gz RYEWDKSAMCGJQC-UHFFFAOYSA-N -1 1 362.432 2.603 50 0 FFAAMM Cc1ccc(C2(O)CCN(C(=O)c3ccc4cccnc4c3[O-])CC2)nc1 ZINC000067769827 205388945 /nfs/dbraw/zinc/38/89/45/205388945.db2.gz GENODKCVSISJEQ-UHFFFAOYSA-N -1 1 363.417 2.768 50 0 FFAAMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000004522138 206180995 /nfs/dbraw/zinc/18/09/95/206180995.db2.gz OONUVBMIHHDTGU-GFCCVEGCSA-N -1 1 368.480 2.648 50 0 FFAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000003662216 206234537 /nfs/dbraw/zinc/23/45/37/206234537.db2.gz CILNVHISQKNILE-UHFFFAOYSA-N -1 1 365.407 2.681 50 0 FFAAMM O=C(CSc1nc2c(c(=O)[n-]1)CCCC2)NCc1ccc(Cl)cc1 ZINC000011905566 206287362 /nfs/dbraw/zinc/28/73/62/206287362.db2.gz NBYGUOMBMTVXHF-UHFFFAOYSA-N -1 1 363.870 2.711 50 0 FFAAMM COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC000014097357 206309071 /nfs/dbraw/zinc/30/90/71/206309071.db2.gz WBEDQGUKFHPTJY-UHFFFAOYSA-N -1 1 351.380 2.511 50 0 FFAAMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cccc1-n1cnnn1 ZINC000016100947 206319136 /nfs/dbraw/zinc/31/91/36/206319136.db2.gz WGUXCSCXUVFYJV-UHFFFAOYSA-N -1 1 369.450 2.650 50 0 FFAAMM COc1cc(NC(=O)CCc2cccs2)ccc1[N-]S(C)(=O)=O ZINC000032818599 506298207 /nfs/dbraw/zinc/29/82/07/506298207.db2.gz HBAAMCPDDNPIHX-UHFFFAOYSA-N -1 1 354.453 2.700 50 0 FFAAMM Cc1nc(-c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)c2)no1 ZINC000033086358 506334626 /nfs/dbraw/zinc/33/46/26/506334626.db2.gz IRCFWJXUIUMZCR-UHFFFAOYSA-N -1 1 373.390 2.617 50 0 FFAAMM COc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2nc3c(s2)CCCC3)n1 ZINC000004999503 506412906 /nfs/dbraw/zinc/41/29/06/506412906.db2.gz WZCMVNXDBBQWAG-QMMMGPOBSA-N -1 1 366.468 2.645 50 0 FFAAMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCc1ccc(Cl)cc1 ZINC000042091303 506596212 /nfs/dbraw/zinc/59/62/12/506596212.db2.gz ZRJFWMFCTFZGPY-UHFFFAOYSA-N -1 1 368.824 2.653 50 0 FFAAMM COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])c1 ZINC000042122801 506601407 /nfs/dbraw/zinc/60/14/07/506601407.db2.gz SKFBLBQBGDNNOJ-UHFFFAOYSA-N -1 1 351.380 2.511 50 0 FFAAMM Cc1ccc(C=Cc2nc(SCC(=O)[N-]C(=O)c3ccccc3)n[nH]2)o1 ZINC000012983484 506921930 /nfs/dbraw/zinc/92/19/30/506921930.db2.gz GMLYAVSJUPJVPV-MDZDMXLPSA-N -1 1 368.418 2.925 50 0 FFAAMM CCCc1cc(=O)[n-]c(SCC(=O)NCCc2c[nH]c3ccccc23)n1 ZINC000018226724 507146946 /nfs/dbraw/zinc/14/69/46/507146946.db2.gz XXKOETFRSOYRHB-UHFFFAOYSA-N -1 1 370.478 2.655 50 0 FFAAMM CC[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CCO1 ZINC000023894029 507377406 /nfs/dbraw/zinc/37/74/06/507377406.db2.gz RJZRSDHYDKRNIK-QGZVFWFLSA-N -1 1 374.462 2.738 50 0 FFAAMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000024212150 507398087 /nfs/dbraw/zinc/39/80/87/507398087.db2.gz RCFSOPUIAFOQOX-JTQLQIEISA-N -1 1 353.827 2.940 50 0 FFAAMM CC(C)C(=O)N1CCC(NC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000025247616 507479206 /nfs/dbraw/zinc/47/92/06/507479206.db2.gz HVTKFBVICBACNV-UHFFFAOYSA-N -1 1 369.259 2.532 50 0 FFAAMM CC(=O)Nc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000071776018 507716693 /nfs/dbraw/zinc/71/66/93/507716693.db2.gz CZMMSUIFEPCITL-GOSISDBHSA-N -1 1 358.369 2.703 50 0 FFAAMM Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000031535094 507820025 /nfs/dbraw/zinc/82/00/25/507820025.db2.gz ITHHVLAPCSOBEJ-UHFFFAOYSA-N -1 1 371.418 2.988 50 0 FFAAMM O=C(c1ncccc1[O-])N1CC[C@@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091435018 507985505 /nfs/dbraw/zinc/98/55/05/507985505.db2.gz FETGCKXYGFBLEI-HXUWFJFHSA-N -1 1 357.454 2.575 50 0 FFAAMM COc1cccc(CNC(=O)c2cnc(-c3csc(C)n3)[n-]c2=O)c1 ZINC000091562827 507992710 /nfs/dbraw/zinc/99/27/10/507992710.db2.gz NNHVLMLNAHCCQI-UHFFFAOYSA-N -1 1 356.407 2.553 50 0 FFAAMM Cc1ccc(-c2ncc(C(=O)N(C)CCC[C@@H]3CCCO3)c(=O)[n-]2)cc1 ZINC000091876553 508021272 /nfs/dbraw/zinc/02/12/72/508021272.db2.gz HOFCKVGOQAFDTN-MRXNPFEDSA-N -1 1 355.438 2.777 50 0 FFAAMM CC(C)CN(Cc1ccncc1)C(=O)c1cnc(-c2cccnc2)[n-]c1=O ZINC000091895180 508022361 /nfs/dbraw/zinc/02/23/61/508022361.db2.gz LBKRTUVCNHMGFA-UHFFFAOYSA-N -1 1 363.421 2.938 50 0 FFAAMM O=C(NCc1cccc(OC(F)F)c1)c1cnc(-c2ccccn2)[n-]c1=O ZINC000091965589 508028535 /nfs/dbraw/zinc/02/85/35/508028535.db2.gz LQQYTLCRDOTGMK-UHFFFAOYSA-N -1 1 372.331 2.776 50 0 FFAAMM O=C(c1cnc(COc2ccccc2)[n-]c1=O)N1CCC[C@H]1c1ccco1 ZINC000092080940 508041958 /nfs/dbraw/zinc/04/19/58/508041958.db2.gz RWAJUKJDSPFHDP-INIZCTEOSA-N -1 1 365.389 2.919 50 0 FFAAMM COc1ccc(F)cc1[C@@H](C(=O)[O-])N1CCCN(Cc2cccnc2)CC1 ZINC000095389051 508183798 /nfs/dbraw/zinc/18/37/98/508183798.db2.gz NIGJHPKFPOMFBB-IBGZPJMESA-N -1 1 373.428 2.563 50 0 FFAAMM Cc1oc(-c2cccc(C)c2)nc1CN1Cc2[nH]cnc2C[C@@H]1C(=O)[O-] ZINC000095509935 508192764 /nfs/dbraw/zinc/19/27/64/508192764.db2.gz HOJZRZOIBKINQS-QGZVFWFLSA-N -1 1 352.394 2.693 50 0 FFAAMM O=C([O-])[C@@H]1Cc2nc[nH]c2CN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000095520336 508194811 /nfs/dbraw/zinc/19/48/11/508194811.db2.gz YKPBQUHOGQKDED-AWEZNQCLSA-N -1 1 371.780 2.975 50 0 FFAAMM COc1ccc([C@@H]2c3c([n-][nH]c3=O)C[C@](C)(O)[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000105989276 508387164 /nfs/dbraw/zinc/38/71/64/508387164.db2.gz IWQOXAPTXUNOBD-IIMJZQEZSA-N -1 1 374.437 2.521 50 0 FFAAMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)[nH]n1 ZINC000079106546 520675517 /nfs/dbraw/zinc/67/55/17/520675517.db2.gz YTPZLAWYBHBNNF-LLVKDONJSA-N -1 1 351.428 2.901 50 0 FFAAMM COc1ccccc1OC1(C(=O)[O-])CCN(Cc2cnn(C(C)C)c2)CC1 ZINC000082098228 524655340 /nfs/dbraw/zinc/65/53/40/524655340.db2.gz VVENZOKMCFBROK-UHFFFAOYSA-N -1 1 373.453 2.971 50 0 FFAAMM O=C(c1ncccc1[O-])N1CCC(n2cc(-c3ccsc3)nn2)CC1 ZINC000020996894 727832825 /nfs/dbraw/zinc/83/28/25/727832825.db2.gz ZEBRBISULPDIPR-UHFFFAOYSA-N -1 1 355.423 2.585 50 0 FFAAMM COc1ccc(C)cc1[C@H](C(=O)[O-])N1CCCN(C(=O)c2ccco2)CC1 ZINC001506397896 1059489843 /nfs/dbraw/zinc/48/98/43/1059489843.db2.gz YTUWNBDSOUTJDJ-GOSISDBHSA-N -1 1 372.421 2.570 50 0 FFAAMM CCc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000004270342 204130198 /nfs/dbraw/zinc/13/01/98/204130198.db2.gz OXKQLQYPWWDSFM-UHFFFAOYSA-N -1 1 356.447 2.885 50 0 FFAAMM O=C1CCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc3c2N1CC3 ZINC000004850488 204169624 /nfs/dbraw/zinc/16/96/24/204169624.db2.gz ZRJJMYNZGBSDRP-UHFFFAOYSA-N -1 1 362.838 2.976 50 0 FFAAMM COc1ccccc1C[C@H](C(=O)Nc1ccc(C)c(C)c1)c1nn[n-]n1 ZINC000005518416 204213602 /nfs/dbraw/zinc/21/36/02/204213602.db2.gz DGYKVRZAZLCJDU-INIZCTEOSA-N -1 1 351.410 2.790 50 0 FFAAMM Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2nc(C)c(C)c(=O)[n-]2)n1 ZINC000007420998 204298442 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COCCOc1cc([N-]S(=O)(=O)c2cc(F)ccc2C)ccc1OC ZINC000048356505 205160449 /nfs/dbraw/zinc/16/04/49/205160449.db2.gz NIZLZCGMQOAZKC-UHFFFAOYSA-N -1 1 369.414 2.969 50 0 FFAAMM CCc1cccc(C)c1NS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000057115622 205234688 /nfs/dbraw/zinc/23/46/88/205234688.db2.gz DVLZOBHMTSPXTN-UHFFFAOYSA-N -1 1 363.435 2.994 50 0 FFAAMM O=C([O-])c1n[nH]cc1CN1CCC(c2n[nH]cc2Cc2ccccc2)CC1 ZINC000067642749 205379151 /nfs/dbraw/zinc/37/91/51/205379151.db2.gz UNZXUYQYUYGLDV-UHFFFAOYSA-N -1 1 365.437 2.801 50 0 FFAAMM COc1ncccc1CN1CCC(C(=O)[O-])(n2ccc(C(C)(C)C)n2)CC1 ZINC000072407555 205531247 /nfs/dbraw/zinc/53/12/47/205531247.db2.gz YDFXIRVYNKTTBP-UHFFFAOYSA-N -1 1 372.469 2.660 50 0 FFAAMM Cc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)C2CCCC2)n1 ZINC000012006173 206288240 /nfs/dbraw/zinc/28/82/40/206288240.db2.gz YBIQFGAIIMRSAC-UHFFFAOYSA-N -1 1 353.382 2.653 50 0 FFAAMM CCc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2cccs2)n1 ZINC000012124621 206289407 /nfs/dbraw/zinc/28/94/07/206289407.db2.gz PLMZIHMXMYLJHY-UHFFFAOYSA-N -1 1 355.423 2.709 50 0 FFAAMM COc1ccc(OC)c(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])c1 ZINC000013464628 206302483 /nfs/dbraw/zinc/30/24/83/206302483.db2.gz KHUAAMIFISAJLZ-UHFFFAOYSA-N -1 1 351.380 2.511 50 0 FFAAMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc4c3CCO4)cc2C[C@H]1C ZINC000330075174 258154484 /nfs/dbraw/zinc/15/44/84/258154484.db2.gz DBOHWRIGWXIONV-GFCCVEGCSA-N -1 1 372.446 2.720 50 0 FFAAMM COc1cc(NC(=O)c2cc(F)cc(F)c2)ccc1[N-]S(C)(=O)=O ZINC000032818597 506298914 /nfs/dbraw/zinc/29/89/14/506298914.db2.gz LOWSBCFVAULQTD-UHFFFAOYSA-N -1 1 356.350 2.597 50 0 FFAAMM O=C(CSc1nc2c(c(=O)[n-]1)CCC2)Nc1oncc1-c1ccccc1 ZINC000032984865 506321557 /nfs/dbraw/zinc/32/15/57/506321557.db2.gz LKELGLOVYHOBFQ-UHFFFAOYSA-N -1 1 368.418 2.644 50 0 FFAAMM COc1cc(OC)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000007381533 506558163 /nfs/dbraw/zinc/55/81/63/506558163.db2.gz WFLWMHRQGOHHGU-UHFFFAOYSA-N -1 1 371.798 2.856 50 0 FFAAMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(OC)c1 ZINC000007708625 506584351 /nfs/dbraw/zinc/58/43/51/506584351.db2.gz ZCFGBECNFSBRTJ-UHFFFAOYSA-N -1 1 351.380 2.511 50 0 FFAAMM CC[C@@H](C)N1C(=O)[N-]C(=O)[C@]2(Cc3c4ccccc4ccc3N(C)C2)C1=O ZINC000009111297 506680908 /nfs/dbraw/zinc/68/09/08/506680908.db2.gz SNEXVRBPNBWPCO-LRTDBIEQSA-N -1 1 365.433 2.695 50 0 FFAAMM CCN1C(=O)Cc2cc([N-]S(=O)(=O)c3ccc(OC)c(F)c3)ccc21 ZINC000010063711 506725030 /nfs/dbraw/zinc/72/50/30/506725030.db2.gz ZZOYMOYRAWOTRK-UHFFFAOYSA-N -1 1 364.398 2.544 50 0 FFAAMM CCOc1ccccc1NC(=O)[C@H](C)Sc1nc2c(c(=O)[n-]1)CCC2 ZINC000011902941 506801907 /nfs/dbraw/zinc/80/19/07/506801907.db2.gz HEGRUDIWQFWGHP-NSHDSACASA-N -1 1 359.451 2.777 50 0 FFAAMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1 ZINC000012552072 506877851 /nfs/dbraw/zinc/87/78/51/506877851.db2.gz YGFOGNOSUDTXPF-UHFFFAOYSA-N -1 1 373.478 2.837 50 0 FFAAMM CNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000013061702 506926871 /nfs/dbraw/zinc/92/68/71/506926871.db2.gz PHKCPQTUWOYZEP-UHFFFAOYSA-N -1 1 358.341 2.866 50 0 FFAAMM O=c1/c(=C\c2cccc(Br)c2[O-])sc2nc3ccccc3n12 ZINC000013535170 506943099 /nfs/dbraw/zinc/94/30/99/506943099.db2.gz QBOAKSJKZKPMJW-MDWZMJQESA-N -1 1 373.231 2.925 50 0 FFAAMM O=C(NCc1cccnc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000013680611 506951647 /nfs/dbraw/zinc/95/16/47/506951647.db2.gz RWWPLWKNGNKSQM-UHFFFAOYSA-N -1 1 367.430 2.812 50 0 FFAAMM Cc1c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cccc1-n1cnnn1 ZINC000016100911 507071846 /nfs/dbraw/zinc/07/18/46/507071846.db2.gz UGFGZCRQHLNZOM-UHFFFAOYSA-N -1 1 357.439 2.895 50 0 FFAAMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(C)n(C3CC3)c2C)cc1 ZINC000017131411 507116507 /nfs/dbraw/zinc/11/65/07/507116507.db2.gz VEMQNGDTQOMLRH-UHFFFAOYSA-N -1 1 370.405 2.562 50 0 FFAAMM COC(=O)[C@@]([N-]c1nccs1)(NCCc1ccccc1)C(F)(F)F ZINC000020391861 507220119 /nfs/dbraw/zinc/22/01/19/507220119.db2.gz WNIFINGHMXBGTJ-AWEZNQCLSA-N -1 1 359.373 2.819 50 0 FFAAMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)cc1 ZINC000059777584 507503879 /nfs/dbraw/zinc/50/38/79/507503879.db2.gz UMAAQTAYWNYMOP-ZDUSSCGKSA-N -1 1 357.439 2.977 50 0 FFAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccn(C)n2)cc1 ZINC000027156245 507636569 /nfs/dbraw/zinc/63/65/69/507636569.db2.gz FJNBPTQASMTECX-UHFFFAOYSA-N -1 1 370.434 2.782 50 0 FFAAMM Cc1ccc(C(=O)Nn2cn[n-]c2=S)cc1NC(=O)c1ccccc1 ZINC000029260173 507771329 /nfs/dbraw/zinc/77/13/29/507771329.db2.gz CDSSOTMOBCYWIB-UHFFFAOYSA-N -1 1 353.407 2.885 50 0 FFAAMM O=C(c1ccc(Cl)cc1[O-])N1CCN(Cc2ccccc2)[C@@H](CCO)C1 ZINC000072427997 507789168 /nfs/dbraw/zinc/78/91/68/507789168.db2.gz RVBGNJGVSUAYPF-KRWDZBQOSA-N -1 1 374.868 2.755 50 0 FFAAMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(N2CCOC2=O)c1 ZINC000031719918 507821235 /nfs/dbraw/zinc/82/12/35/507821235.db2.gz UJQLKRDNISTWPX-UHFFFAOYSA-N -1 1 350.371 2.892 50 0 FFAAMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)c1 ZINC000031722530 507821274 /nfs/dbraw/zinc/82/12/74/507821274.db2.gz IIMQHVKNCFCCEF-UHFFFAOYSA-N -1 1 355.419 2.935 50 0 FFAAMM 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/nfs/dbraw/zinc/58/27/59/263582759.db2.gz YRLDYQZKCDHKBT-LLVKDONJSA-N -1 1 360.360 2.640 50 0 FFAAMM Cc1nn(-c2ccccc2)nc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000001037868 506246110 /nfs/dbraw/zinc/24/61/10/506246110.db2.gz YJYDKYFKIOQLQM-UHFFFAOYSA-N -1 1 354.317 2.698 50 0 FFAAMM CCc1nc2c([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cccn2n1 ZINC000065283978 506280426 /nfs/dbraw/zinc/28/04/26/506280426.db2.gz BSRXOJQTUBTEHK-UHFFFAOYSA-N -1 1 350.831 2.887 50 0 FFAAMM COc1ccc([N-]S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2C)cc1Cl ZINC000035536736 506387758 /nfs/dbraw/zinc/38/77/58/506387758.db2.gz WJVYURQBBAHQBW-UHFFFAOYSA-N -1 1 367.814 2.627 50 0 FFAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(F)c(F)c2F)n1 ZINC000011443655 506776303 /nfs/dbraw/zinc/77/63/03/506776303.db2.gz BWHMGAVJWXASES-UHFFFAOYSA-N -1 1 357.357 2.871 50 0 FFAAMM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000014867717 507003475 /nfs/dbraw/zinc/00/34/75/507003475.db2.gz ZRQHOTWTARTASF-UHFFFAOYSA-N -1 1 365.476 2.688 50 0 FFAAMM CSc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000014898503 507004824 /nfs/dbraw/zinc/00/48/24/507004824.db2.gz GNTPLTBHFFPMOX-UHFFFAOYSA-N -1 1 350.421 2.540 50 0 FFAAMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])cc1 ZINC000017360431 507123135 /nfs/dbraw/zinc/12/31/35/507123135.db2.gz DUQJALNJEVQMTB-UHFFFAOYSA-N -1 1 360.435 2.737 50 0 FFAAMM COc1ccc(Cl)cc1N1C[C@H](C(=O)[N-]OCc2ccccc2)CC1=O ZINC000025036995 507461499 /nfs/dbraw/zinc/46/14/99/507461499.db2.gz UTZWNJOLMXZKIN-CQSZACIVSA-N -1 1 374.824 2.950 50 0 FFAAMM COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000025229535 507477512 /nfs/dbraw/zinc/47/75/12/507477512.db2.gz WIHYSVNIQANIER-UHFFFAOYSA-N -1 1 369.782 2.626 50 0 FFAAMM COc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)cc1OC ZINC000026536734 507595468 /nfs/dbraw/zinc/59/54/68/507595468.db2.gz WAWPAKRGCTXCPE-UHFFFAOYSA-N -1 1 369.370 2.650 50 0 FFAAMM COc1c(C)cc(C(=O)[C@@H]2CCCN(Cc3c[nH]nc3C(=O)[O-])C2)cc1C ZINC000071681319 507708599 /nfs/dbraw/zinc/70/85/99/507708599.db2.gz WMOFFBKLAROOFI-CQSZACIVSA-N -1 1 371.437 2.828 50 0 FFAAMM O=C([O-])[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)CN2CCCC2)C1 ZINC000071762056 507714567 /nfs/dbraw/zinc/71/45/67/507714567.db2.gz MNNFLGXVFLBYIH-IBGZPJMESA-N -1 1 364.873 2.672 50 0 FFAAMM CCc1n[n-]c(=S)n1CCNC(=O)c1cc(Br)ccc1F ZINC000072297923 507773264 /nfs/dbraw/zinc/77/32/64/507773264.db2.gz GAAOVTKYKWVOFL-UHFFFAOYSA-N -1 1 373.251 2.835 50 0 FFAAMM COc1ccc(N2CCCC2=O)c([N-]S(=O)(=O)Cc2ccccc2)c1 ZINC000072403095 507783228 /nfs/dbraw/zinc/78/32/28/507783228.db2.gz MPVIWEXNFRRCHX-UHFFFAOYSA-N -1 1 360.435 2.764 50 0 FFAAMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)o1 ZINC000031547946 507820146 /nfs/dbraw/zinc/82/01/46/507820146.db2.gz AXOHUVDDOSFHDR-UHFFFAOYSA-N -1 1 358.366 2.887 50 0 FFAAMM CC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000090456034 507920196 /nfs/dbraw/zinc/92/01/96/507920196.db2.gz WVNAHAMFTJJRKR-DOTOQJQBSA-N -1 1 367.792 2.663 50 0 FFAAMM Cc1nc2c(s1)CCC[C@H]2NC(=O)c1cnc(-c2ccccn2)[n-]c1=O ZINC000091586961 507993626 /nfs/dbraw/zinc/99/36/26/507993626.db2.gz VGITXYPYIZIJQR-GFCCVEGCSA-N -1 1 367.434 2.817 50 0 FFAAMM COc1cc(F)ccc1[C@H](C(=O)[O-])N1CCC(Oc2cccnc2)CC1 ZINC000095378974 508180775 /nfs/dbraw/zinc/18/07/75/508180775.db2.gz ISKNJSVDZMMDMA-GOSISDBHSA-N -1 1 360.385 2.898 50 0 FFAAMM COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc([O-])c(Cl)c2)o1 ZINC000096116000 508206884 /nfs/dbraw/zinc/20/68/84/508206884.db2.gz CGUDACBZWHDLAA-LLVKDONJSA-N -1 1 368.769 2.546 50 0 biogenic FFAAMM C[C@H](CN(C)C(=O)c1cc2ccccc2cc1OC(F)F)c1nn[n-]n1 ZINC000124162514 508790727 /nfs/dbraw/zinc/79/07/27/508790727.db2.gz JFQQITDHXZBMFI-SNVBAGLBSA-N -1 1 361.352 2.830 50 0 FFAAMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc2n[nH]nc2c1 ZINC000225797039 509388346 /nfs/dbraw/zinc/38/83/46/509388346.db2.gz IUIWFPUGCSKGJR-UHFFFAOYSA-N -1 1 367.228 2.830 50 0 FFAAMM O=C(NC[C@H]1CCN(c2cccc(Cl)c2)C1)c1cnc(C2CC2)[n-]c1=O ZINC000534652360 517983665 /nfs/dbraw/zinc/98/36/65/517983665.db2.gz CUNQHDNZAFZVTJ-GFCCVEGCSA-N -1 1 372.856 2.969 50 0 FFAAMM CCN(CC1CCOCC1)C(=O)c1cnc(-c2ccc(C)cc2)[n-]c1=O ZINC000091535014 520978025 /nfs/dbraw/zinc/97/80/25/520978025.db2.gz AFCJRAYYKFCAKR-UHFFFAOYSA-N -1 1 355.438 2.634 50 0 FFAAMM O=C(NCCOc1cccc2ccccc21)c1nc2ccccc2c(=O)[n-]1 ZINC000079413399 526362675 /nfs/dbraw/zinc/36/26/75/526362675.db2.gz AEOUVBJPKSWNAL-UHFFFAOYSA-N -1 1 359.385 2.885 50 0 FFAAMM Cn1c([O-])c(C(=O)NN=Cc2cccc(Cl)c2)c(=O)c2ccccc21 ZINC000006191418 727785098 /nfs/dbraw/zinc/78/50/98/727785098.db2.gz MMBLRDZUJMPLRW-KEBDBYFISA-N -1 1 355.781 2.661 50 0 FFAAMM CCOC(=O)c1ccccc1NC(=O)c1c([O-])n(C)c2ccccc2c1=O ZINC000000626807 986695598 /nfs/dbraw/zinc/69/55/98/986695598.db2.gz VZYRAKQKOGJXIE-UHFFFAOYSA-N -1 1 366.373 2.673 50 0 FFAAMM C[C@@H](c1nccs1)N1CCN(C(=O)c2c([O-])cnc3ccccc32)CC1 ZINC000186455326 986886121 /nfs/dbraw/zinc/88/61/21/986886121.db2.gz VLMZKGJOOCINSC-ZDUSSCGKSA-N -1 1 368.462 2.916 50 0 FFAAMM NC(=O)CCN(CCc1ccccc1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001506409454 1059500118 /nfs/dbraw/zinc/50/01/18/1059500118.db2.gz HNCVUUSUSDZSAA-UHFFFAOYSA-N -1 1 360.841 2.535 50 0 FFAAMM COc1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1Cl ZINC000003426538 204098664 /nfs/dbraw/zinc/09/86/64/204098664.db2.gz JUSGNAICXFOQHP-CYBMUJFWSA-N -1 1 367.858 2.771 50 0 FFAAMM COCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000004809567 204164059 /nfs/dbraw/zinc/16/40/59/204164059.db2.gz RRNRYDUEBJHXDT-UHFFFAOYSA-N -1 1 368.842 2.517 50 0 FFAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1Cl ZINC000004811305 204165960 /nfs/dbraw/zinc/16/59/60/204165960.db2.gz RFVFQKCJMRGWBN-UHFFFAOYSA-N -1 1 352.799 2.894 50 0 FFAAMM COc1cccc(C[C@H](C(=O)Nc2ccccc2Cl)c2nn[n-]n2)c1 ZINC000005485642 204210580 /nfs/dbraw/zinc/21/05/80/204210580.db2.gz KWZXYKYFGSMHII-ZDUSSCGKSA-N -1 1 357.801 2.827 50 0 FFAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000006141655 204237940 /nfs/dbraw/zinc/23/79/40/204237940.db2.gz KZOFVVDTYIEIHD-KRWDZBQOSA-N -1 1 374.462 2.705 50 0 FFAAMM O=C1[N-]C(=S)NC1=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 ZINC000006222379 204241065 /nfs/dbraw/zinc/24/10/65/204241065.db2.gz ILQYBUPMAGOCGG-PFONDFGASA-N -1 1 369.833 2.602 50 0 FFAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 ZINC000006928741 204282113 /nfs/dbraw/zinc/28/21/13/204282113.db2.gz OWZBIFPJJQWLOR-LBPRGKRZSA-N -1 1 372.446 2.988 50 0 FFAAMM O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(=O)[n-]c(-c3ccccc3)nc2N1 ZINC000008769412 204344661 /nfs/dbraw/zinc/34/46/61/204344661.db2.gz QWUCIUXDIYDPKB-ZDUSSCGKSA-N -1 1 361.357 2.640 50 0 FFAAMM Cc1cn2c(nc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2=O)s1 ZINC000020921840 204740913 /nfs/dbraw/zinc/74/09/13/204740913.db2.gz MADDILPUUGUNPL-UHFFFAOYSA-N -1 1 363.464 2.790 50 0 FFAAMM O=C([O-])c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccn1 ZINC000040309533 205024208 /nfs/dbraw/zinc/02/42/08/205024208.db2.gz BWLSBRACRPQXRV-KRWDZBQOSA-N -1 1 363.377 2.683 50 0 biogenic FFAAMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)o1 ZINC000042024956 205092932 /nfs/dbraw/zinc/09/29/32/205092932.db2.gz FSCBUMGNYRTAGN-UHFFFAOYSA-N -1 1 356.403 2.692 50 0 FFAAMM COc1cccc(C[C@H](C(=O)Nc2ccc(C)cc2C)c2nn[n-]n2)c1 ZINC000057525350 205243069 /nfs/dbraw/zinc/24/30/69/205243069.db2.gz AOJDGXWETYSIRM-INIZCTEOSA-N -1 1 351.410 2.790 50 0 FFAAMM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc3c2N1CC3 ZINC000005153425 206190762 /nfs/dbraw/zinc/19/07/62/206190762.db2.gz DESDFWQBXUNSJO-UHFFFAOYSA-N -1 1 362.838 2.976 50 0 FFAAMM Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccco2)n1 ZINC000011854461 206287202 /nfs/dbraw/zinc/28/72/02/206287202.db2.gz SHNMGDMEEPHGLA-UHFFFAOYSA-N -1 1 367.390 2.838 50 0 FFAAMM COC(=O)C[C@@H](c1ccsc1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000205974889 206337115 /nfs/dbraw/zinc/33/71/15/206337115.db2.gz YPQLDMLVLCRIRO-NSHDSACASA-N -1 1 364.810 2.810 50 0 FFAAMM COc1cc2c(cc1CN1Cc3ccccc3C[C@H]1C(=O)[O-])OCCCO2 ZINC000216422911 206359796 /nfs/dbraw/zinc/35/97/96/206359796.db2.gz YKKARBZKFHKBEK-KRWDZBQOSA-N -1 1 369.417 2.868 50 0 FFAAMM O=S(=O)([N-]c1cccc(-c2cc[nH]n2)c1)c1ccc2c(c1)OCCO2 ZINC000031534533 206509096 /nfs/dbraw/zinc/50/90/96/206509096.db2.gz BVCGFFDJASTUIR-UHFFFAOYSA-N -1 1 357.391 2.649 50 0 FFAAMM CC(C)(CO)[C@@H](CNC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1 ZINC000253407734 206581678 /nfs/dbraw/zinc/58/16/78/206581678.db2.gz IUJJEJIJUBXZPL-HNNXBMFYSA-N -1 1 370.478 2.550 50 0 FFAAMM O=C([O-])C1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]cnc32)CC1 ZINC000071752689 136140322 /nfs/dbraw/zinc/14/03/22/136140322.db2.gz POTJUBVCZQXKKM-UHFFFAOYSA-N -1 1 371.828 2.920 50 0 FFAAMM CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2OC)c2nn[n-]n2)cc1 ZINC000000931691 506240879 /nfs/dbraw/zinc/24/08/79/506240879.db2.gz APMISVWZPHDGTC-INIZCTEOSA-N -1 1 367.409 2.572 50 0 FFAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)cc1Cl ZINC000032589957 506266435 /nfs/dbraw/zinc/26/64/35/506266435.db2.gz KXVFKSFHDGYLRZ-UHFFFAOYSA-N -1 1 355.803 2.640 50 0 FFAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000002109794 506272592 /nfs/dbraw/zinc/27/25/92/506272592.db2.gz JITJFYFUAISNMH-SPLOXXLWSA-N -1 1 371.433 2.503 50 0 biogenic FFAAMM COc1ccc(N[C@H](C)C(=O)N(C(C)C)C(C)C)cc1[N-]S(C)(=O)=O ZINC000032771577 506293468 /nfs/dbraw/zinc/29/34/68/506293468.db2.gz FCTAWXJLFIRIKN-CYBMUJFWSA-N -1 1 371.503 2.513 50 0 FFAAMM CC[C@@H](Sc1nc2[nH]cnc2c(=O)[n-]1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000033324880 506355724 /nfs/dbraw/zinc/35/57/24/506355724.db2.gz BPJKCCCOYIAZDK-GFCCVEGCSA-N -1 1 371.422 2.771 50 0 FFAAMM CC(C)(C)N1C(=O)[N-]C(=O)[C@]2(Cc3ccccc3N3CCCCC[C@@H]32)C1=O ZINC000036569689 506405810 /nfs/dbraw/zinc/40/58/10/506405810.db2.gz CUJBDRAPAZXPSI-IIBYNOLFSA-N -1 1 369.465 2.855 50 0 FFAAMM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000012532534 506872601 /nfs/dbraw/zinc/87/26/01/506872601.db2.gz BHIUPQYYGQKHJC-UHFFFAOYSA-N -1 1 364.427 2.906 50 0 FFAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000016580625 507096048 /nfs/dbraw/zinc/09/60/48/507096048.db2.gz KREMXBSVUAKXGF-QGZVFWFLSA-N -1 1 360.435 2.913 50 0 FFAAMM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000022200928 507283455 /nfs/dbraw/zinc/28/34/55/507283455.db2.gz HUJZNABEZIFVHQ-UHFFFAOYSA-N -1 1 371.466 2.975 50 0 FFAAMM CN1CCCC[C@@H]1C(=O)N1CCC(CCOc2ccccc2)(C(=O)[O-])CC1 ZINC000071765118 507714118 /nfs/dbraw/zinc/71/41/18/507714118.db2.gz UANTZYGEJSADAO-GOSISDBHSA-N -1 1 374.481 2.633 50 0 FFAAMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(F)cc1F ZINC000072277399 507772277 /nfs/dbraw/zinc/77/22/77/507772277.db2.gz MWTSJBDBBKDRSR-UHFFFAOYSA-N -1 1 363.288 2.830 50 0 FFAAMM Cc1nc(-c2ncc(C(=O)N3CCC[C@H]3c3ccccn3)c(=O)[n-]2)cs1 ZINC000091755811 508009174 /nfs/dbraw/zinc/00/91/74/508009174.db2.gz JMQCYIHGNKGWQU-HNNXBMFYSA-N -1 1 367.434 2.986 50 0 FFAAMM Cc1cccc(S(=O)(=O)Nc2ccccc2-n2ccc(C(=O)[O-])n2)c1 ZINC000076018063 508151476 /nfs/dbraw/zinc/15/14/76/508151476.db2.gz SWEKSSXOHUMFSI-UHFFFAOYSA-N -1 1 357.391 2.680 50 0 FFAAMM Cc1cccc(-c2ncc(C(=O)N[C@@H]3COC4(CCCC4)C3)c(=O)[n-]2)c1 ZINC000082098905 508225541 /nfs/dbraw/zinc/22/55/41/508225541.db2.gz IALCHQNOMIWCSU-HNNXBMFYSA-N -1 1 353.422 2.577 50 0 FFAAMM Cc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000097635060 508227237 /nfs/dbraw/zinc/22/72/37/508227237.db2.gz OZVVEJPOSFEFSJ-KRWDZBQOSA-N -1 1 367.449 2.777 50 0 FFAAMM O=C(c1ccc(-n2cnnn2)cc1[O-])N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077322351 508300675 /nfs/dbraw/zinc/30/06/75/508300675.db2.gz XVLKEWBLCCQQEG-QGZVFWFLSA-N -1 1 367.384 2.874 50 0 FFAAMM Cc1ccc2nc(CCC(=O)NCCc3nc(C(=O)[O-])cs3)[nH]c2c1C ZINC000221310360 509306744 /nfs/dbraw/zinc/30/67/44/509306744.db2.gz YFRFXDLXXJNRTB-UHFFFAOYSA-N -1 1 372.450 2.626 50 0 FFAAMM O=C([O-])c1cc(NC(=O)CN(CCO)C2CCCCC2)ccc1Cl ZINC000244884324 509875865 /nfs/dbraw/zinc/87/58/65/509875865.db2.gz YKBXFNSTTFZZKS-UHFFFAOYSA-N -1 1 354.834 2.604 50 0 FFAAMM CC(C)(C)c1ncc(C(=O)NC2CCN(c3ccccc3F)CC2)c(=O)[n-]1 ZINC000082116531 534913322 /nfs/dbraw/zinc/91/33/22/534913322.db2.gz XUXDPHMPVDETPY-UHFFFAOYSA-N -1 1 372.444 2.605 50 0 FFAAMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1c2ccccc2C[C@@H]1C ZINC000047327500 570885353 /nfs/dbraw/zinc/88/53/53/570885353.db2.gz HTSBFXSMMKQAFN-ZDUSSCGKSA-N -1 1 360.417 2.661 50 0 FFAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(C)C)cc2)cc1 ZINC000003286333 204087301 /nfs/dbraw/zinc/08/73/01/204087301.db2.gz OMUCSDIIYPDSFB-UHFFFAOYSA-N -1 1 362.451 2.882 50 0 FFAAMM Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Cc3ccncc3)cc2)n1 ZINC000002836724 204061163 /nfs/dbraw/zinc/06/11/63/204061163.db2.gz XNODIALETJKANU-UHFFFAOYSA-N -1 1 366.446 2.795 50 0 FFAAMM O=C1C[C@@H](c2cccc(Cl)c2Cl)c2c(=O)nc3[n-]cnn3c2N1 ZINC000004625365 204151448 /nfs/dbraw/zinc/15/14/48/204151448.db2.gz HLCAGNBEEOONMQ-ZETCQYMHSA-N -1 1 350.165 2.611 50 0 FFAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c1 ZINC000004270326 204129937 /nfs/dbraw/zinc/12/99/37/204129937.db2.gz HOCIXFWBNNZIGK-UHFFFAOYSA-N -1 1 356.447 2.940 50 0 FFAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000004411726 204138900 /nfs/dbraw/zinc/13/89/00/204138900.db2.gz RDIXOMYMDDUPDW-UHFFFAOYSA-N -1 1 358.419 2.599 50 0 FFAAMM O=C(COC(=O)C1CCCCC1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000006376871 204245622 /nfs/dbraw/zinc/24/56/22/204245622.db2.gz NEALDNOBXMGEOF-UHFFFAOYSA-N -1 1 355.337 2.668 50 0 FFAAMM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc3c(s2)-c2ccccc2CC3)C1=O ZINC000008427909 204330644 /nfs/dbraw/zinc/33/06/44/204330644.db2.gz GLIMXNWTMJRKLM-IBGZPJMESA-N -1 1 369.446 2.879 50 0 FFAAMM CCOc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC000008587335 204335393 /nfs/dbraw/zinc/33/53/93/204335393.db2.gz NOHPBOBHLOWHFX-UHFFFAOYSA-N -1 1 359.451 2.778 50 0 FFAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)n(C)c(=O)n3C)cc1C ZINC000013364666 204529245 /nfs/dbraw/zinc/52/92/45/204529245.db2.gz CIBPPZREZBPFEX-UHFFFAOYSA-N -1 1 359.451 2.603 50 0 FFAAMM O=C(NCCCN1CCCCCC1=O)c1cc(Br)ccc1[O-] ZINC000036674425 205019199 /nfs/dbraw/zinc/01/91/99/205019199.db2.gz PGKDLJBCDFZWPB-UHFFFAOYSA-N -1 1 369.259 2.677 50 0 FFAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1OC ZINC000045774273 205125180 /nfs/dbraw/zinc/12/51/80/205125180.db2.gz RCLVIYMQXKAUAV-UHFFFAOYSA-N -1 1 359.407 2.690 50 0 FFAAMM Cc1ccc(C(=O)Nc2ccc(NC(=O)Cc3c(C)[n-][nH]c3=O)cc2)o1 ZINC000055385307 205217504 /nfs/dbraw/zinc/21/75/04/205217504.db2.gz WLWYCTCXFTUWJO-UHFFFAOYSA-N -1 1 354.366 2.759 50 0 FFAAMM COCc1nc(=O)c2c(C)c(C(=O)NCc3cccc(F)c3)sc2[n-]1 ZINC000058305319 205270185 /nfs/dbraw/zinc/27/01/85/205270185.db2.gz RDIQUSNWNOEOQC-UHFFFAOYSA-N -1 1 361.398 2.509 50 0 FFAAMM Cc1ccc(-c2ncc(C(=O)N(C)CCC[C@H]3CCCO3)c(=O)[n-]2)cc1 ZINC000091876554 205700604 /nfs/dbraw/zinc/70/06/04/205700604.db2.gz HOFCKVGOQAFDTN-INIZCTEOSA-N -1 1 355.438 2.777 50 0 FFAAMM O=C(c1ncccc1[O-])N1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000132976296 206128065 /nfs/dbraw/zinc/12/80/65/206128065.db2.gz LFTDRBOYRLLZTJ-STQMWFEESA-N -1 1 352.312 2.754 50 0 FFAAMM COc1cc(C(=O)N2CCC(O)(C(F)(F)F)CC2)cc(Cl)c1[O-] ZINC000154030590 206220855 /nfs/dbraw/zinc/22/08/55/206220855.db2.gz SLKDHNKAESABQC-UHFFFAOYSA-N -1 1 353.724 2.584 50 0 FFAAMM Nc1cc(=O)[n-]c(SCCCOc2ccccc2Br)n1 ZINC000016527208 206318426 /nfs/dbraw/zinc/31/84/26/206318426.db2.gz TZWKZPZRUAUPPU-UHFFFAOYSA-N -1 1 356.245 2.676 50 0 FFAAMM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1F ZINC000033269122 506353142 /nfs/dbraw/zinc/35/31/42/506353142.db2.gz WZVYXRQFSSXRBM-UHFFFAOYSA-N -1 1 350.371 2.574 50 0 FFAAMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)NC(=O)Nc2ccccc2)n1 ZINC000011438172 506776582 /nfs/dbraw/zinc/77/65/82/506776582.db2.gz RLZFUWOBJOLELV-NSHDSACASA-N -1 1 360.439 2.964 50 0 FFAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000012252108 506841333 /nfs/dbraw/zinc/84/13/33/506841333.db2.gz KBMBMRXOZRWEOW-UHFFFAOYSA-N -1 1 362.407 2.607 50 0 FFAAMM COCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000012557040 506878103 /nfs/dbraw/zinc/87/81/03/506878103.db2.gz DPXKIKUPRRPERN-UHFFFAOYSA-N -1 1 362.451 2.562 50 0 FFAAMM 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2.932 50 0 FFAAMM O=C(NCc1ccco1)C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000058218127 507388089 /nfs/dbraw/zinc/38/80/89/507388089.db2.gz WSNDXNSWRAIUEL-UHFFFAOYSA-N -1 1 362.813 2.807 50 0 FFAAMM COCCn1nc(C)c(CNC(=O)c2cc3ccccc3cc2[O-])c1C ZINC000058417325 507415888 /nfs/dbraw/zinc/41/58/88/507415888.db2.gz GKMIJSCDJDTCAF-UHFFFAOYSA-N -1 1 353.422 2.935 50 0 FFAAMM NC(=O)c1cccc(C[C@@H]2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)C2)c1 ZINC000072157891 507764320 /nfs/dbraw/zinc/76/43/20/507764320.db2.gz SIQZRZJABCFKQM-HNNXBMFYSA-N -1 1 372.852 2.778 50 0 FFAAMM Cc1cc2nc(CN3CCC[C@H]3c3nc4ccc(F)cc4[nH]3)cc(=O)n2[n-]1 ZINC000072163870 507767076 /nfs/dbraw/zinc/76/70/76/507767076.db2.gz VFWMRNDULVJKKJ-INIZCTEOSA-N -1 1 366.400 2.684 50 0 FFAAMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)c1 ZINC000031720079 507821336 /nfs/dbraw/zinc/82/13/36/507821336.db2.gz GRYPHFASCQPDNJ-UHFFFAOYSA-N -1 1 360.391 2.647 50 0 FFAAMM O=C([O-])c1csc(S(=O)(=O)Nc2c(F)cccc2-n2cccn2)c1 ZINC000078789948 507907457 /nfs/dbraw/zinc/90/74/57/507907457.db2.gz USZZBKRBDNJRHD-UHFFFAOYSA-N -1 1 367.383 2.572 50 0 FFAAMM O=C(c1cnc(COc2ccc(F)cc2)[n-]c1=O)N1CCCCCCC1 ZINC000091624799 507997262 /nfs/dbraw/zinc/99/72/62/507997262.db2.gz HESVPNIRYOWYBY-UHFFFAOYSA-N -1 1 359.401 2.894 50 0 FFAAMM Cc1noc(C)c1CCCNC(=O)c1cnc(-c2cccs2)[n-]c1=O ZINC000091819854 508015870 /nfs/dbraw/zinc/01/58/70/508015870.db2.gz YOMUQRMNGUIVEC-UHFFFAOYSA-N -1 1 358.423 2.878 50 0 FFAAMM CC(=O)C(Sc1nnc(NC(=O)Nc2ccccc2)s1)=C(C)[O-] ZINC000101082339 508240872 /nfs/dbraw/zinc/24/08/72/508240872.db2.gz FHMQAIPISNKSGW-UHFFFAOYSA-N -1 1 350.425 2.821 50 0 FFAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)cc1 ZINC000163204877 509351474 /nfs/dbraw/zinc/35/14/74/509351474.db2.gz ZJNZBPYVCXKKAI-UHFFFAOYSA-N -1 1 371.422 2.621 50 0 FFAAMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3nc(C4CCC4)n[nH]3)cc(Cl)c2O1 ZINC000508196981 514702600 /nfs/dbraw/zinc/70/26/00/514702600.db2.gz XGXBFGHOSFBPII-MRVPVSSYSA-N -1 1 368.846 2.850 50 0 FFAAMM O=C(NCCSc1ccccn1)c1cnc(-c2cccs2)[n-]c1=O ZINC000091691396 526376249 /nfs/dbraw/zinc/37/62/49/526376249.db2.gz CXGZZOZXZIUSFB-UHFFFAOYSA-N -1 1 358.448 2.828 50 0 FFAAMM Cc1nc(-c2ncc(C(=O)NCCOc3ccccc3C)c(=O)[n-]2)cs1 ZINC000091663415 526625582 /nfs/dbraw/zinc/62/55/82/526625582.db2.gz DSMKYZSAYMOAOO-UHFFFAOYSA-N -1 1 370.434 2.731 50 0 FFAAMM CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1CC)CC(=O)N2 ZINC000046073924 570923769 /nfs/dbraw/zinc/92/37/69/570923769.db2.gz NZVIZHLNBQZLAW-LLVKDONJSA-N -1 1 372.450 2.509 50 0 FFAAMM NC(=O)C[C@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1ccc(F)c(F)c1 ZINC000252492503 571319726 /nfs/dbraw/zinc/31/97/26/571319726.db2.gz MOABVBPJOQPDHE-ZDUSSCGKSA-N -1 1 357.360 2.992 50 0 FFAAMM Cc1ncsc1[C@@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[n-]c(=O)c21 ZINC000585655772 571320776 /nfs/dbraw/zinc/32/07/76/571320776.db2.gz GLUNMBODJIUQJS-LLVKDONJSA-N -1 1 359.455 2.658 50 0 FFAAMM CC(C)CCn1c([O-])c(C(=O)Nc2ncccn2)c(=O)c2ccccc21 ZINC000005461515 1012704837 /nfs/dbraw/zinc/70/48/37/1012704837.db2.gz YVSHPENPAAJLRU-UHFFFAOYSA-N -1 1 352.394 2.796 50 0 FFAAMM COc1cc(OCc2ccccc2)ccc1CN1CC[C@@H](O)[C@@H](C(=O)[O-])C1 ZINC001529105407 1062163001 /nfs/dbraw/zinc/16/30/01/1062163001.db2.gz ASGNSCCPIDWWJX-RBUKOAKNSA-N -1 1 371.433 2.542 50 0 FFAAMM COc1cc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc(OC)c1 ZINC000001119593 219373320 /nfs/dbraw/zinc/37/33/20/219373320.db2.gz UAPDWRIZXKTUSL-UHFFFAOYSA-N -1 1 353.396 2.522 50 0 FFAAMM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000001148379 219381280 /nfs/dbraw/zinc/38/12/80/219381280.db2.gz AZRSAOPZLOSRKP-UHFFFAOYSA-N -1 1 353.371 2.568 50 0 FFAAMM COc1cc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)ccc1C(=O)[O-] ZINC000237315299 209345494 /nfs/dbraw/zinc/34/54/94/209345494.db2.gz MWUPXYFCUSXVRC-SFHVURJKSA-N -1 1 368.433 2.674 50 0 FFAAMM Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000013679687 220084335 /nfs/dbraw/zinc/08/43/35/220084335.db2.gz XUDXYAZFLOZRFS-INIZCTEOSA-N -1 1 374.462 2.705 50 0 FFAAMM COC(=O)C[C@@H](c1c(Cc2ccc(OC)cc2)[n-][nH]c1=O)c1ccncc1 ZINC000096117947 209114116 /nfs/dbraw/zinc/11/41/16/209114116.db2.gz NBVQBZIKUALCEG-MRXNPFEDSA-N -1 1 367.405 2.805 50 0 FFAAMM CCOc1ccccc1NC(=O)[C@@H](Cc1cccc(OC)c1)c1nn[n-]n1 ZINC000005444735 207100314 /nfs/dbraw/zinc/10/03/14/207100314.db2.gz BJQQTHMTKBKFQR-HNNXBMFYSA-N -1 1 367.409 2.572 50 0 FFAAMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(O)cc1)C(C(=O)OC)=C(C)N2 ZINC000006952873 207181139 /nfs/dbraw/zinc/18/11/39/207181139.db2.gz ALLURFCHZOJTNT-CYBMUJFWSA-N -1 1 373.434 2.592 50 0 FFAAMM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccccc1F ZINC000007002673 207182584 /nfs/dbraw/zinc/18/25/84/207182584.db2.gz GVIAEAMHFHZUOH-UHFFFAOYSA-N -1 1 354.403 2.759 50 0 FFAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000009060515 207257059 /nfs/dbraw/zinc/25/70/59/207257059.db2.gz NUZDOYITAGVPOH-UHFFFAOYSA-N -1 1 363.373 2.677 50 0 FFAAMM O=C(NC[C@@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)[N-]C2CC2)o1 ZINC000030602584 208001565 /nfs/dbraw/zinc/00/15/65/208001565.db2.gz WFPJAPQOOHSWOG-AWEZNQCLSA-N -1 1 374.462 2.570 50 0 FFAAMM O=C([O-])c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccncc1 ZINC000040309475 208175841 /nfs/dbraw/zinc/17/58/41/208175841.db2.gz NJNKALKLBBBNRS-KRWDZBQOSA-N -1 1 363.377 2.683 50 0 biogenic FFAAMM O=C([O-])c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 ZINC000040309825 208176126 /nfs/dbraw/zinc/17/61/26/208176126.db2.gz QVMVXSYMQSGJHO-QGZVFWFLSA-N -1 1 363.377 2.683 50 0 biogenic FFAAMM Cc1ccc(-c2ncc(C(=O)N[C@H](c3nccn3C)C(C)C)c(=O)[n-]2)cc1 ZINC000091859662 209000381 /nfs/dbraw/zinc/00/03/81/209000381.db2.gz UGZWAUQLQJVDRP-INIZCTEOSA-N -1 1 365.437 2.606 50 0 FFAAMM Cc1c(Cl)cc(C(=O)N2Cc3[nH]cnc3C[C@H]2C(=O)[O-])cc1Cl ZINC000095496584 209059268 /nfs/dbraw/zinc/05/92/68/209059268.db2.gz QMWGUSQJWMDRLS-ZDUSSCGKSA-N -1 1 354.193 2.677 50 0 FFAAMM Cc1cc(=O)[n-]c(S[C@@H](C)C(=O)NC2CCN(c3ccccc3)CC2)n1 ZINC000299797967 132300527 /nfs/dbraw/zinc/30/05/27/132300527.db2.gz UASVAHAJJDNOMZ-AWEZNQCLSA-N -1 1 372.494 2.756 50 0 FFAAMM Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(=O)[O-])cc1 ZINC000064589293 136133459 /nfs/dbraw/zinc/13/34/59/136133459.db2.gz VPWOPPWCIJCMBV-UHFFFAOYSA-N -1 1 353.422 2.697 50 0 FFAAMM O=C([N-]c1cc(F)cc(F)c1)c1nc(-c2cn(-c3ccccc3)nn2)no1 ZINC000065236624 506273076 /nfs/dbraw/zinc/27/30/76/506273076.db2.gz GXWGDEOEAZCPBH-UHFFFAOYSA-N -1 1 368.303 2.848 50 0 FFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1F ZINC000005329186 506435511 /nfs/dbraw/zinc/43/55/11/506435511.db2.gz WEDKHHBXZLLXPN-UHFFFAOYSA-N -1 1 364.398 2.762 50 0 FFAAMM O=C(C[C@H]1OCCc2ccsc21)NCc1n[n-]c(=S)n1C1CC1 ZINC000066637947 506589680 /nfs/dbraw/zinc/58/96/80/506589680.db2.gz GKWQOMWUGCIHEL-LLVKDONJSA-N -1 1 350.469 2.657 50 0 FFAAMM Cc1c(CC(=O)N[C@H](C)c2ccccc2)c(=O)oc2cc(O)cc([O-])c12 ZINC000008490570 506654752 /nfs/dbraw/zinc/65/47/52/506654752.db2.gz AAKLBYADUMCVCY-GFCCVEGCSA-N -1 1 353.374 2.933 50 0 biogenic FFAAMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(OC)c(Cl)c2)n1 ZINC000011903379 506801555 /nfs/dbraw/zinc/80/15/55/506801555.db2.gz BXYAFEQWGFBCCB-UHFFFAOYSA-N -1 1 353.831 2.725 50 0 FFAAMM CC(C)Cn1c(=O)cc([O-])nc1SCC(=O)Nc1ccc2c(c1)CCC2 ZINC000016684989 507103504 /nfs/dbraw/zinc/10/35/04/507103504.db2.gz ACNWSOZLPOQCFS-UHFFFAOYSA-N -1 1 373.478 2.824 50 0 FFAAMM O=C(NCc1cccnc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000017169082 507119304 /nfs/dbraw/zinc/11/93/04/507119304.db2.gz PXNCYFUIDADUPG-UHFFFAOYSA-N -1 1 367.430 2.812 50 0 FFAAMM CSc1nc2c(c(=O)[n-]1)[C@@H](c1cccnc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000018041992 507133737 /nfs/dbraw/zinc/13/37/37/507133737.db2.gz VKJBISXNMRGYBG-ZDUSSCGKSA-N -1 1 372.450 2.670 50 0 FFAAMM CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccncc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000018145522 507140561 /nfs/dbraw/zinc/14/05/61/507140561.db2.gz RIVROUAURCMIBM-ZDUSSCGKSA-N -1 1 372.450 2.670 50 0 FFAAMM CON(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000022753807 507307810 /nfs/dbraw/zinc/30/78/10/507307810.db2.gz PRGHJVZBFPWCAL-UHFFFAOYSA-N -1 1 354.815 2.774 50 0 FFAAMM Cc1noc(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1 ZINC000058148293 507374557 /nfs/dbraw/zinc/37/45/57/507374557.db2.gz CZCYIZACPSNUIB-UHFFFAOYSA-N -1 1 370.645 2.859 50 0 FFAAMM CCOC(=O)C[C@@H](c1c(C)nn(C)c1C)c1c([O-])[nH]c2ccccc2c1=O ZINC000072403490 507782899 /nfs/dbraw/zinc/78/28/99/507782899.db2.gz UEOVFMIQDAFWLX-AWEZNQCLSA-N -1 1 369.421 2.669 50 0 FFAAMM CCOC(=O)C[C@H](c1c(C)nn(C)c1C)c1c([O-])[nH]c2ccccc2c1=O ZINC000072403491 507782989 /nfs/dbraw/zinc/78/29/89/507782989.db2.gz UEOVFMIQDAFWLX-CQSZACIVSA-N -1 1 369.421 2.669 50 0 FFAAMM Cc1ccccc1[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccncc1 ZINC000091725291 508005246 /nfs/dbraw/zinc/00/52/46/508005246.db2.gz PSDVMLHMYSVUOK-SFHVURJKSA-N -1 1 360.417 2.870 50 0 FFAAMM C[C@@H]1CN(Cc2cc(Cl)ccc2OCC(=O)[O-])CC[C@@]1(O)C1CC1 ZINC000091745257 508006656 /nfs/dbraw/zinc/00/66/56/508006656.db2.gz PRQUPGAIJZNXTO-XIKOKIGWSA-N -1 1 353.846 2.786 50 0 FFAAMM Cc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2C)o1 ZINC000075504770 508112062 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biogenic FFAAMM CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000004884284 506402597 /nfs/dbraw/zinc/40/25/97/506402597.db2.gz NHPSUJFNNMCMFD-UHFFFAOYSA-N -1 1 350.421 2.654 50 0 FFAAMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(Br)cc1F ZINC000036714262 506413776 /nfs/dbraw/zinc/41/37/76/506413776.db2.gz YLGKDMQEYYTKEY-UHFFFAOYSA-N -1 1 353.073 2.977 50 0 FFAAMM Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)cc1F ZINC000005153531 506425934 /nfs/dbraw/zinc/42/59/34/506425934.db2.gz DJBWUMLMHLRDFZ-UHFFFAOYSA-N -1 1 360.410 2.770 50 0 FFAAMM Cc1c(CC(=O)NCCc2cccc(F)c2)c(=O)oc2cc(O)cc([O-])c12 ZINC000005351601 506437834 /nfs/dbraw/zinc/43/78/34/506437834.db2.gz GKJBPMBRVRMBEN-UHFFFAOYSA-N -1 1 371.364 2.553 50 0 FFAAMM COc1ccc(C[C@H](C(=O)Nc2ccc(C)cc2C)c2nn[n-]n2)cc1 ZINC000005489118 506446559 /nfs/dbraw/zinc/44/65/59/506446559.db2.gz CNDUFYMDOLIOKC-INIZCTEOSA-N -1 1 351.410 2.790 50 0 FFAAMM CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2cc(Br)ccc2[O-])N1 ZINC000006050529 506464855 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370.449 2.869 50 0 FFAAMM CN1CCO[C@H](CNC(=O)c2ccc(-c3ccc([O-])c(Cl)c3)cc2)C1 ZINC000426471303 513951204 /nfs/dbraw/zinc/95/12/04/513951204.db2.gz DXYBAJATFNTNFZ-MRXNPFEDSA-N -1 1 360.841 2.773 50 0 FFAAMM Cc1nc(C)c(CNC(=O)c2cnc(-c3cccc(C)c3)[n-]c2=O)s1 ZINC000091586328 526723072 /nfs/dbraw/zinc/72/30/72/526723072.db2.gz VAIVKULVAUESPZ-UHFFFAOYSA-N -1 1 354.435 2.749 50 0 FFAAMM Cc1ccc(CN(C(=O)CC(C)C)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101809426 570860490 /nfs/dbraw/zinc/86/04/90/570860490.db2.gz BOXULMRAZMGZCL-UHFFFAOYSA-N -1 1 367.453 2.922 50 0 FFAAMM CO[C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(-n4[n-]c(C)cc4=O)cc3)C[C@@H]21 ZINC000675011389 971489516 /nfs/dbraw/zinc/48/95/16/971489516.db2.gz PBCSRPJIDOPGNV-BPQIPLTHSA-N -1 1 355.438 2.686 50 0 FFAAMM COc1ccc2[nH]c(CNC(=O)[C@H](C)Sc3nc(C)cc(=O)[n-]3)cc2c1 ZINC000824758537 999259199 /nfs/dbraw/zinc/25/91/99/999259199.db2.gz JEZSORPAALSBBW-NSHDSACASA-N -1 1 372.450 2.778 50 0 FFAAMM COc1ccc2[nH]c(CNC(=O)[C@@H](C)Sc3nc(C)cc(=O)[n-]3)cc2c1 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/nfs/dbraw/zinc/07/16/76/211071676.db2.gz NFSHJKPERROWHP-CYBMUJFWSA-N -1 1 367.858 2.771 50 0 FFAAMM CCc1ccccc1N1CCN(C(=O)c2cnc(C(C)(C)C)[n-]c2=O)CC1 ZINC000082155692 132197447 /nfs/dbraw/zinc/19/74/47/132197447.db2.gz QHBCAVRUPKPYAO-UHFFFAOYSA-N -1 1 368.481 2.592 50 0 FFAAMM O=C1CCc2cc(S(=O)(=O)[N-]c3cccc(F)c3)cc3c2N1CCC3 ZINC000005154156 132256670 /nfs/dbraw/zinc/25/66/70/132256670.db2.gz BACIYPWTNCWNSQ-UHFFFAOYSA-N -1 1 360.410 2.852 50 0 FFAAMM CN1CCN(c2ccc(Nc3nnc(-c4ccccc4)c(=O)[n-]3)cc2)CC1 ZINC000057746572 136130058 /nfs/dbraw/zinc/13/00/58/136130058.db2.gz UCUXMFXOJDQFAP-UHFFFAOYSA-N -1 1 362.437 2.740 50 0 FFAAMM CN1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)CC1 ZINC000064589503 136133394 /nfs/dbraw/zinc/13/33/94/136133394.db2.gz BNQMEKLPIRCKQE-UHFFFAOYSA-N -1 1 357.385 2.528 50 0 FFAAMM O=C([O-])C1(Cc2ccccc2Cl)CCN(c2ncnc3[nH]cnc32)CC1 ZINC000071415745 136139129 /nfs/dbraw/zinc/13/91/29/136139129.db2.gz RMVLOXDSFLJJPQ-UHFFFAOYSA-N -1 1 371.828 2.920 50 0 FFAAMM COc1cc(OC)c(CN2CCc3n[nH]c(C4CC4)c3C2)c(C(=O)[O-])c1 ZINC000097600936 222196431 /nfs/dbraw/zinc/19/64/31/222196431.db2.gz CIMBSBMMKDADSQ-UHFFFAOYSA-N -1 1 357.410 2.561 50 0 FFAAMM C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000097745074 222210072 /nfs/dbraw/zinc/21/00/72/222210072.db2.gz YLQJFHRCAUFQDW-LBPRGKRZSA-N -1 1 363.421 2.871 50 0 FFAAMM C[C@]1(O)Cc2[n-][nH]c(=O)c2[C@H](c2ccccc2)[C@H]1C(=O)Nc1ccccc1 ZINC000103521373 222338214 /nfs/dbraw/zinc/33/82/14/222338214.db2.gz MFCMYLBYJQIUHC-MDKPJZGXSA-N -1 1 363.417 2.809 50 0 FFAAMM O=S1(=O)N=C2CCCCCN2[C@@H](c2ccc(Br)cc2)[N-]1 ZINC000002643765 506285494 /nfs/dbraw/zinc/28/54/94/506285494.db2.gz BYAJECCDTUNEHW-ZDUSSCGKSA-N -1 1 358.261 2.570 50 0 FFAAMM COc1ccc(C(=O)n2cc(C(=O)c3cc(C)ccc3[O-])cn2)cc1OC ZINC000002652833 506285708 /nfs/dbraw/zinc/28/57/08/506285708.db2.gz MPMQKZNBYNBNSF-UHFFFAOYSA-N -1 1 366.373 2.834 50 0 FFAAMM COc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1Cl ZINC000003209111 506313319 /nfs/dbraw/zinc/31/33/19/506313319.db2.gz RDZVOBQJNHOKQI-UHFFFAOYSA-N -1 1 371.798 2.856 50 0 FFAAMM Cc1ccc(NC(=O)c2cc[nH]n2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000053158818 506323924 /nfs/dbraw/zinc/32/39/24/506323924.db2.gz UGGCPAFEYDNHIL-UHFFFAOYSA-N -1 1 356.407 2.771 50 0 FFAAMM CCCc1nc2[n-]cnn2c(=O)c1NC(=O)Nc1ccccc1OCC ZINC000033266127 506353878 /nfs/dbraw/zinc/35/38/78/506353878.db2.gz ZHUZVZQPNUJIBY-UHFFFAOYSA-N -1 1 356.386 2.825 50 0 FFAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)ccc1Br ZINC000005126646 506424118 /nfs/dbraw/zinc/42/41/18/506424118.db2.gz IQUZRCAGZMATMG-UHFFFAOYSA-N -1 1 369.240 2.657 50 0 FFAAMM CCOC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000005929318 506461029 /nfs/dbraw/zinc/46/10/29/506461029.db2.gz KBAVFIYUOKRVJL-KRWDZBQOSA-N -1 1 369.373 2.864 50 0 biogenic FFAAMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])cc2O)c2cnn(C(C)C)c2n1 ZINC000009454107 506696868 /nfs/dbraw/zinc/69/68/68/506696868.db2.gz DKHKQWFUHPYIAQ-UHFFFAOYSA-N -1 1 369.377 2.772 50 0 FFAAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000009560720 506703980 /nfs/dbraw/zinc/70/39/80/506703980.db2.gz AZJSRJMJFUUCST-UHFFFAOYSA-N -1 1 373.478 2.876 50 0 FFAAMM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCc1n[nH]c(=S)[n-]c1=O ZINC000011333796 506773604 /nfs/dbraw/zinc/77/36/04/506773604.db2.gz SOFUUIYVLHIWFU-UHFFFAOYSA-N -1 1 360.483 2.716 50 0 FFAAMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(N)=O)cc(F)c1C ZINC000055614794 506799328 /nfs/dbraw/zinc/79/93/28/506799328.db2.gz QYFCLLCJBPHNKI-UHFFFAOYSA-N -1 1 356.806 2.996 50 0 FFAAMM CCc1nnc([N-]C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)s1 ZINC000011916807 506804069 /nfs/dbraw/zinc/80/40/69/506804069.db2.gz HYBZGVRHODVWSN-UHFFFAOYSA-N -1 1 358.379 2.779 50 0 FFAAMM Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2ccccc2F)[n-]c(=O)c1C ZINC000012126952 506819556 /nfs/dbraw/zinc/81/95/56/506819556.db2.gz PNHWJNZVEJCHRX-UHFFFAOYSA-N -1 1 367.384 2.841 50 0 FFAAMM CCc1cc(=O)[n-]c(SCc2nc(-c3ccc(OC)cc3OC)no2)n1 ZINC000012415733 506861542 /nfs/dbraw/zinc/86/15/42/506861542.db2.gz QPVHSRZMSDHDOH-UHFFFAOYSA-N -1 1 374.422 2.692 50 0 FFAAMM COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2OC)cc1C(=O)[O-] ZINC000057123476 507178074 /nfs/dbraw/zinc/17/80/74/507178074.db2.gz CWLPPGQZNOSLKM-UHFFFAOYSA-N -1 1 371.798 2.856 50 0 FFAAMM COc1cccc(C[C@@H](C(=O)Nc2cccc(C)c2C)c2nn[n-]n2)c1 ZINC000057524714 507284530 /nfs/dbraw/zinc/28/45/30/507284530.db2.gz QCERGXFYEKWNLB-MRXNPFEDSA-N -1 1 351.410 2.790 50 0 FFAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)cc1 ZINC000047328474 507308621 /nfs/dbraw/zinc/30/86/21/507308621.db2.gz CSKJLLNXJOESEL-UHFFFAOYSA-N -1 1 357.439 2.761 50 0 FFAAMM Cc1noc(C2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)n1 ZINC000058215268 507387536 /nfs/dbraw/zinc/38/75/36/507387536.db2.gz LHYGCBZXDBFTMP-UHFFFAOYSA-N -1 1 366.215 2.866 50 0 FFAAMM Cc1nnsc1C(=O)[N-]c1nnc(SCc2cccnc2)s1 ZINC000070634961 507614135 /nfs/dbraw/zinc/61/41/35/507614135.db2.gz RMYGKWNUBIGYJC-UHFFFAOYSA-N -1 1 350.454 2.638 50 0 FFAAMM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029389810 507776708 /nfs/dbraw/zinc/77/67/08/507776708.db2.gz XPPSBJXBTFPMNB-UHFFFAOYSA-N -1 1 351.288 2.968 50 0 FFAAMM COc1ccc(-c2c3sc(=O)nc-3[nH]c3c2c(=O)[n-]n3C(C)C)cc1O ZINC000072404395 507782854 /nfs/dbraw/zinc/78/28/54/507782854.db2.gz FREKPMLUZUILBR-UHFFFAOYSA-N -1 1 372.406 2.590 50 0 FFAAMM CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000072430328 507789570 /nfs/dbraw/zinc/78/95/70/507789570.db2.gz QSTUPVLILWWJEF-UHFFFAOYSA-N -1 1 350.378 2.575 50 0 FFAAMM COc1ccc([C@@H](O)CNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000031579605 507820402 /nfs/dbraw/zinc/82/04/02/507820402.db2.gz NSMOYDJMKPCCQM-HNNXBMFYSA-N -1 1 366.211 2.627 50 0 FFAAMM COCCn1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c2ccccc21 ZINC000079485328 507966920 /nfs/dbraw/zinc/96/69/20/507966920.db2.gz KGVXCVOVNMNUFH-UHFFFAOYSA-N -1 1 353.304 2.677 50 0 FFAAMM Cc1ccccc1[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccncc1 ZINC000091725289 508004862 /nfs/dbraw/zinc/00/48/62/508004862.db2.gz 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FFAAMM O=C(c1ncoc1[C@@H]1CCCO1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000084387562 571084704 /nfs/dbraw/zinc/08/47/04/571084704.db2.gz UHQYSFFLRVTACN-INIZCTEOSA-N -1 1 370.405 2.967 50 0 FFAAMM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)co1 ZINC000132680296 728724989 /nfs/dbraw/zinc/72/49/89/728724989.db2.gz DLHGDKQJXWLOEO-ZDUSSCGKSA-N -1 1 362.451 2.629 50 0 FFAAMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(OC)c(F)c2C)o1 ZINC000181700389 729255434 /nfs/dbraw/zinc/25/54/34/729255434.db2.gz NFAFGKLNRIQIGV-CYBMUJFWSA-N -1 1 371.430 2.964 50 0 FFAAMM O=S(=O)([N-]CCn1nc(C2CC2)cc1C1CC1)c1cc(F)ccc1F ZINC000585300161 845949176 /nfs/dbraw/zinc/94/91/76/845949176.db2.gz MJCYLGAEEFWSIR-UHFFFAOYSA-N -1 1 367.421 2.895 50 0 FFAAMM O=C(NN=Cc1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2c(=O)[n-]1 ZINC000254626202 975352213 /nfs/dbraw/zinc/35/22/13/975352213.db2.gz ASAQKWPDXKURBY-UHFFFAOYSA-N -1 1 371.740 2.661 50 0 FFAAMM COc1cc(C(=O)[O-])cc(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000824583684 999238989 /nfs/dbraw/zinc/23/89/89/999238989.db2.gz VHKIKFYYFNEIMG-HNNXBMFYSA-N -1 1 374.462 2.849 50 0 FFAAMM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2nc3ccc(F)cc3[nH]2)cc1OC ZINC001529142937 1062183456 /nfs/dbraw/zinc/18/34/56/1062183456.db2.gz XVIXNEONDKWQKY-SFHVURJKSA-N -1 1 373.384 2.977 50 0 FFAAMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N)cc2O)cc1 ZINC000000640473 219308315 /nfs/dbraw/zinc/30/83/15/219308315.db2.gz MPCSADAIGISOBZ-UHFFFAOYSA-N -1 1 363.439 2.760 50 0 FFAAMM CCn1c2ccccc2c([O-])c(C(=O)NCc2ccc(OC)cc2)c1=O ZINC000001294912 219394353 /nfs/dbraw/zinc/39/43/53/219394353.db2.gz XNELUILMPZEBOH-UHFFFAOYSA-N -1 1 352.390 2.666 50 0 FFAAMM CCn1c([O-])c(C(=O)NCc2ccc(OC)cc2)c(=O)c2ccccc21 ZINC000001294912 219394355 /nfs/dbraw/zinc/39/43/55/219394355.db2.gz XNELUILMPZEBOH-UHFFFAOYSA-N -1 1 352.390 2.666 50 0 FFAAMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1 ZINC000012541828 220004722 /nfs/dbraw/zinc/00/47/22/220004722.db2.gz CPDHDLXAZHXCQO-UHFFFAOYSA-N -1 1 358.391 2.901 50 0 FFAAMM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1ccccc1Cl)OCCO2 ZINC000012541596 220005024 /nfs/dbraw/zinc/00/50/24/220005024.db2.gz QSWUVDFGZWULKT-UHFFFAOYSA-N -1 1 369.782 2.610 50 0 FFAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C)o2)c1 ZINC000012602755 220012550 /nfs/dbraw/zinc/01/25/50/220012550.db2.gz SHDHUOFOOVTIRG-UHFFFAOYSA-N -1 1 352.412 2.576 50 0 FFAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1C ZINC000014095256 220106728 /nfs/dbraw/zinc/10/67/28/220106728.db2.gz FLCQVFXDNAZXDR-UHFFFAOYSA-N -1 1 374.462 2.577 50 0 FFAAMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cn(-c2ccc(F)cc2)nn1 ZINC000020890857 220344167 /nfs/dbraw/zinc/34/41/67/220344167.db2.gz KVWCTCVNTBWBLF-UHFFFAOYSA-N -1 1 358.280 2.529 50 0 FFAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000064591897 221148912 /nfs/dbraw/zinc/14/89/12/221148912.db2.gz KTUSONDJUPOOIJ-UHFFFAOYSA-N -1 1 359.451 2.603 50 0 FFAAMM Cc1c(S(=O)(=O)[N-]c2ccc(F)cc2)cc(C(=O)N2CCCC2)n1C ZINC000064922080 221155627 /nfs/dbraw/zinc/15/56/27/221155627.db2.gz OQJDKCLCBICXNL-UHFFFAOYSA-N -1 1 365.430 2.509 50 0 FFAAMM COc1c(C)cc(C(=O)[C@H]2CCCN(Cc3c[nH]nc3C(=O)[O-])C2)cc1C ZINC000071681321 221354093 /nfs/dbraw/zinc/35/40/93/221354093.db2.gz WMOFFBKLAROOFI-AWEZNQCLSA-N -1 1 371.437 2.828 50 0 FFAAMM Cc1ccc(N2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)CC2=O)cc1 ZINC000082157514 132197761 /nfs/dbraw/zinc/19/77/61/132197761.db2.gz ZVMKUWOBVWSTAR-UHFFFAOYSA-N -1 1 358.825 2.772 50 0 FFAAMM O=c1cc(CN2CCc3ccccc3C2)nc2[n-]c(-c3cccs3)nn21 ZINC000101841974 222285351 /nfs/dbraw/zinc/28/53/51/222285351.db2.gz WUKRLHGQWLDZRL-UHFFFAOYSA-N -1 1 363.446 2.704 50 0 FFAAMM O=C(COc1ccc(Cl)cc1)Nn1c(=O)c2ccccc2[n-]c1=S ZINC000002970287 263327396 /nfs/dbraw/zinc/32/73/96/263327396.db2.gz HZGAKATWVHKJNI-UHFFFAOYSA-N -1 1 361.810 2.862 50 0 FFAAMM CCOc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1O ZINC000002145068 506272490 /nfs/dbraw/zinc/27/24/90/506272490.db2.gz RFWQOKDGSGXSCY-YJBOKZPZSA-N -1 1 352.390 2.961 50 0 biogenic FFAAMM COc1ccc(NC(=O)c2ccc(C(C)=O)s2)cc1[N-]S(C)(=O)=O ZINC000032753667 506290040 /nfs/dbraw/zinc/29/00/40/506290040.db2.gz PVSCVLZQVMDUBC-UHFFFAOYSA-N -1 1 368.436 2.583 50 0 FFAAMM CCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000002830273 506296024 /nfs/dbraw/zinc/29/60/24/506296024.db2.gz PKWYVBFDNQJFIS-UHFFFAOYSA-N -1 1 368.480 2.566 50 0 FFAAMM COc1ccc([N-]S(=O)(=O)c2cccc(N)c2)cc1Br ZINC000003886495 506351369 /nfs/dbraw/zinc/35/13/69/506351369.db2.gz QZADCNKACOMHQL-UHFFFAOYSA-N -1 1 357.229 2.841 50 0 FFAAMM Nc1cccc(S(=O)(=O)[N-]c2ccc(I)cc2)c1 ZINC000003885961 506352108 /nfs/dbraw/zinc/35/21/08/506352108.db2.gz WWRSQRZMEAYPDH-UHFFFAOYSA-N -1 1 374.203 2.674 50 0 FFAAMM Cc1cccc(Cc2cnc(NC(=O)C=C3SC(=O)[N-]C3=O)s2)c1 ZINC000004387562 506375127 /nfs/dbraw/zinc/37/51/27/506375127.db2.gz QAZSXRIDOXYPMS-GHXNOFRVSA-N -1 1 359.432 2.848 50 0 FFAAMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1cccs1 ZINC000042091892 506595893 /nfs/dbraw/zinc/59/58/93/506595893.db2.gz LZCLXPYMTGXTJW-LBPRGKRZSA-N -1 1 354.435 2.622 50 0 FFAAMM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc2c(cccc2F)s1 ZINC000008157076 506627817 /nfs/dbraw/zinc/62/78/17/506627817.db2.gz IHYJKXRSISMWJV-UHFFFAOYSA-N -1 1 361.398 2.940 50 0 FFAAMM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc2cc(F)ccc2s1 ZINC000008340203 506645421 /nfs/dbraw/zinc/64/54/21/506645421.db2.gz YERBNLNVBSVQQP-UHFFFAOYSA-N -1 1 361.398 2.940 50 0 FFAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000008765357 506666720 /nfs/dbraw/zinc/66/67/20/506666720.db2.gz NEBCMSFUMKUBCT-UHFFFAOYSA-N -1 1 353.330 2.717 50 0 biogenic FFAAMM CN1C[C@@]2(Cc3c4ccccc4ccc31)C(=O)[N-]C(=O)N(C(C)(C)C)C2=O ZINC000009109408 506682105 /nfs/dbraw/zinc/68/21/05/506682105.db2.gz PMYLYNWYEIOJLN-NRFANRHFSA-N -1 1 365.433 2.695 50 0 FFAAMM COC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000012548604 506876449 /nfs/dbraw/zinc/87/64/49/506876449.db2.gz AOTGATYFLAKDPZ-CQSZACIVSA-N -1 1 362.451 2.561 50 0 FFAAMM Cc1[n-][nH]c(=O)c1CC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067542139 506918997 /nfs/dbraw/zinc/91/89/97/506918997.db2.gz NHQOPRBFSHWTLQ-UHFFFAOYSA-N -1 1 374.347 2.748 50 0 FFAAMM Nc1cc(=O)[n-]c(S[C@H](C(=O)NC2CCCCC2)c2ccccc2)n1 ZINC000013945888 506960101 /nfs/dbraw/zinc/96/01/01/506960101.db2.gz OYKGYDKADKNADD-INIZCTEOSA-N -1 1 358.467 2.634 50 0 FFAAMM Cc1ccc(C2C(=O)C(=O)N(c3nn[n-]n3)[C@@H]2c2ccccc2F)cc1 ZINC000045928566 507046627 /nfs/dbraw/zinc/04/66/27/507046627.db2.gz NCQHNMQFTSSIQL-OAHLLOKOSA-N -1 1 351.341 2.704 50 0 FFAAMM CCCCn1c([O-])c(C2=NN[C@@H](c3ccccc3OC)C2)c(=O)[nH]c1=S ZINC000015834795 507062487 /nfs/dbraw/zinc/06/24/87/507062487.db2.gz BCFUEFMBHPGZGP-GFCCVEGCSA-N -1 1 374.466 2.859 50 0 FFAAMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2F)c(F)cc1F ZINC000024428128 507410463 /nfs/dbraw/zinc/41/04/63/507410463.db2.gz LNMNCVFMMBRINC-UHFFFAOYSA-N -1 1 363.288 2.830 50 0 FFAAMM CCOC(=O)C1=C(C)Nc2nc(SC)[n-]c(=O)c2[C@@H]1c1cccs1 ZINC000028466801 507726251 /nfs/dbraw/zinc/72/62/51/507726251.db2.gz DZMIOHGRDMVXGT-LLVKDONJSA-N -1 1 363.464 2.948 50 0 FFAAMM O=C([O-])[C@H]1c2[nH]cnc2CCN1C(=O)c1ccc(Oc2ccccc2)o1 ZINC000072470793 507795185 /nfs/dbraw/zinc/79/51/85/507795185.db2.gz GRLCOTNXKRFEBJ-MRXNPFEDSA-N -1 1 353.334 2.619 50 0 FFAAMM O=C(c1ncccc1[O-])N1CC[C@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091435020 507985819 /nfs/dbraw/zinc/98/58/19/507985819.db2.gz FETGCKXYGFBLEI-FQEVSTJZSA-N -1 1 357.454 2.575 50 0 FFAAMM Cc1ccc(-c2ncc(C(=O)N[C@@H](c3nccn3C)C(C)C)c(=O)[n-]2)cc1 ZINC000091859659 508019546 /nfs/dbraw/zinc/01/95/46/508019546.db2.gz UGZWAUQLQJVDRP-MRXNPFEDSA-N -1 1 365.437 2.606 50 0 FFAAMM Cc1cc(-c2ccc(S(=O)(=O)[N-]C[C@H]3COc4ccccc4C3)o2)on1 ZINC000091986895 508030646 /nfs/dbraw/zinc/03/06/46/508030646.db2.gz QZMVKYGXPGBXMM-ZDUSSCGKSA-N -1 1 374.418 2.773 50 0 FFAAMM O=C(NCCc1n[n-]c(=S)n1C1CC1)[C@H]1SCCc2ccccc21 ZINC000080173656 508047033 /nfs/dbraw/zinc/04/70/33/508047033.db2.gz FMKNWFNPGJMBKA-HNNXBMFYSA-N -1 1 360.508 2.965 50 0 FFAAMM CCC[C@H](NC(=O)c1cc(C2CC2)nc2ccc(OC)cc21)c1nn[n-]n1 ZINC000119609899 508828610 /nfs/dbraw/zinc/82/86/10/508828610.db2.gz ZKDDYHUDUHYXGH-INIZCTEOSA-N -1 1 366.425 2.905 50 0 FFAAMM O=C([O-])c1nc[nH]c1C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000216429012 509262021 /nfs/dbraw/zinc/26/20/21/509262021.db2.gz KXAHMPQHYQJDFC-NSHDSACASA-N -1 1 359.773 2.615 50 0 FFAAMM CCn1c(CN2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)nc2ccccc21 ZINC000426740625 514029289 /nfs/dbraw/zinc/02/92/89/514029289.db2.gz UZUXOSPFCZZZTH-OAHLLOKOSA-N -1 1 367.453 2.717 50 0 FFAAMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3nc(C4CCC4)n[nH]3)cc(Cl)c2O1 ZINC000508196984 514702627 /nfs/dbraw/zinc/70/26/27/514702627.db2.gz XGXBFGHOSFBPII-QMMMGPOBSA-N -1 1 368.846 2.850 50 0 FFAAMM CC1(C)C[C@@H](C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c2ccccc2O1 ZINC000572277857 519534447 /nfs/dbraw/zinc/53/44/47/519534447.db2.gz ZEBUWXIYBRDMAA-CQSZACIVSA-N -1 1 357.410 2.826 50 0 FFAAMM Cc1sc(-n2cnnn2)c(C(=O)N=c2nc(C3CCCCC3)[nH][n-]2)c1C ZINC000524733415 562233314 /nfs/dbraw/zinc/23/33/14/562233314.db2.gz PUAVQUXHMVFSNZ-UHFFFAOYSA-N -1 1 372.458 2.759 50 0 FFAAMM O=C(CSc1nc([O-])cc(=O)n1C1CCCC1)Nc1ccc(F)cc1 ZINC000102137565 570827233 /nfs/dbraw/zinc/82/72/33/570827233.db2.gz PTWSWYLNVHTPHO-UHFFFAOYSA-N -1 1 363.414 2.934 50 0 FFAAMM CCc1ccc(CN(C(=O)c2coc(S(=O)(=O)[N-]C)c2)C2CC2)cc1 ZINC000162877744 728950683 /nfs/dbraw/zinc/95/06/83/728950683.db2.gz DCQMQKOJDDRTBE-UHFFFAOYSA-N -1 1 362.451 2.555 50 0 FFAAMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC([C@H](O)c2cccs2)CC1 ZINC001506404905 1059496199 /nfs/dbraw/zinc/49/61/99/1059496199.db2.gz GLAWVSQQYCPKGD-INIZCTEOSA-N -1 1 369.446 2.570 50 0 FFAAMM COc1cc(/C=C2/NC(=S)[N-]C2=O)ccc1OCc1ccccc1F ZINC000005201274 219660861 /nfs/dbraw/zinc/66/08/61/219660861.db2.gz SDAHCEVRFAHXCR-RIYZIHGNSA-N -1 1 358.394 2.759 50 0 FFAAMM CCc1cc2c(ncn([N-]C(=O)c3cc(-c4ccccc4)[nH]n3)c2=O)s1 ZINC000012539242 220005223 /nfs/dbraw/zinc/00/52/23/220005223.db2.gz LVIFBJHHDMMRCH-UHFFFAOYSA-N -1 1 365.418 2.794 50 0 FFAAMM CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3ccc([O-])cc3oc2=O)cc1 ZINC000012900545 220039884 /nfs/dbraw/zinc/03/98/84/220039884.db2.gz ZWWXXSFIPHBVGB-UHFFFAOYSA-N -1 1 366.373 2.947 50 0 biogenic FFAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)Nc1ccc(CCO)cc1 ZINC000013573029 220075870 /nfs/dbraw/zinc/07/58/70/220075870.db2.gz QVXWZGBCTZDVEG-UHFFFAOYSA-N -1 1 367.401 2.913 50 0 FFAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000017356438 220215787 /nfs/dbraw/zinc/21/57/87/220215787.db2.gz RWTQDAKRJQFDHT-UHFFFAOYSA-N -1 1 360.435 2.732 50 0 FFAAMM COc1ccc(C(=O)[N-]C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 ZINC000017279851 220210894 /nfs/dbraw/zinc/21/08/94/220210894.db2.gz NUNYFZCJOWKDSQ-UHFFFAOYSA-N -1 1 372.450 2.548 50 0 FFAAMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1)OCC(=O)N2 ZINC000021108396 220352080 /nfs/dbraw/zinc/35/20/80/220352080.db2.gz FHYOPSFMYOSIIS-UHFFFAOYSA-N -1 1 370.789 2.919 50 0 FFAAMM O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000021207723 220355206 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biogenic FFAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)cc1 ZINC000007052855 206243465 /nfs/dbraw/zinc/24/34/65/206243465.db2.gz SZUQVVQEMSUCTK-UHFFFAOYSA-N -1 1 365.354 2.623 50 0 FFAAMM Cc1cccc2nc([C@H]3CCCN(c4ncncc4CC(=O)[O-])C3)[nH]c21 ZINC000095363779 132208172 /nfs/dbraw/zinc/20/81/72/132208172.db2.gz RRXAKMJIUZIQAN-ZDUSSCGKSA-N -1 1 351.410 2.672 50 0 FFAAMM O=C(NC1CCCCC1)C(=C([O-])c1ccc(F)cc1)n1ccccc1=O ZINC000000819428 506234971 /nfs/dbraw/zinc/23/49/71/506234971.db2.gz DKUGQRDPQHULCZ-GOSISDBHSA-N -1 1 356.397 2.860 50 0 FFAAMM COc1ccc(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)cc1F ZINC000032595249 506267992 /nfs/dbraw/zinc/26/79/92/506267992.db2.gz ULJJPVVPHJVRRO-UHFFFAOYSA-N -1 1 364.402 2.961 50 0 FFAAMM COc1cc(F)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)cc1OC ZINC000065844563 506378158 /nfs/dbraw/zinc/37/81/58/506378158.db2.gz YQRZLPDBUWGYEF-UHFFFAOYSA-N -1 1 369.370 2.650 50 0 FFAAMM CC1(C)COc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2NC1=O ZINC000009173447 506685606 /nfs/dbraw/zinc/68/56/06/506685606.db2.gz LXZQUOJAXAQQDT-UHFFFAOYSA-N -1 1 364.398 2.984 50 0 FFAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000012521158 506870731 /nfs/dbraw/zinc/87/07/31/506870731.db2.gz JMUHHCFATXWAGE-KRWDZBQOSA-N -1 1 374.462 2.705 50 0 FFAAMM O=C(NC1CC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000012536207 506874413 /nfs/dbraw/zinc/87/44/13/506874413.db2.gz ALZFULIINGAFSM-UHFFFAOYSA-N -1 1 352.362 2.658 50 0 FFAAMM Cc1nc2[n-]cnn2c(=O)c1NC(=O)Nc1ccccc1C(F)(F)F ZINC000013535864 506943707 /nfs/dbraw/zinc/94/37/07/506943707.db2.gz IXVHLGGEBCVAPO-UHFFFAOYSA-N -1 1 352.276 2.801 50 0 FFAAMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000014097496 506966148 /nfs/dbraw/zinc/96/61/48/506966148.db2.gz AJHOZJGYEMCJPP-UHFFFAOYSA-N -1 1 353.465 2.898 50 0 FFAAMM Cc1noc(C)c1S(=O)(=O)[N-]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000015358885 507034445 /nfs/dbraw/zinc/03/44/45/507034445.db2.gz COJISDLBPPAQAD-UHFFFAOYSA-N -1 1 374.466 2.632 50 0 FFAAMM CCN1C[C@]2(CCCN(C(=O)Cc3ccc([O-])c(Cl)c3)C2)CCC1=O ZINC000072418973 507786791 /nfs/dbraw/zinc/78/67/91/507786791.db2.gz IKJHUMGBCIBHEY-IBGZPJMESA-N -1 1 364.873 2.839 50 0 FFAAMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000072476537 507796446 /nfs/dbraw/zinc/79/64/46/507796446.db2.gz ANVVUJZTBRXVAZ-UHFFFAOYSA-N -1 1 373.840 2.984 50 0 FFAAMM CCc1nnc(-c2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)c[nH]2)o1 ZINC000075427966 508106433 /nfs/dbraw/zinc/10/64/33/508106433.db2.gz LFANXLHOLSHXCS-UHFFFAOYSA-N -1 1 354.338 2.706 50 0 FFAAMM C[C@H]1CCCC[C@H]1NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000102137533 508268230 /nfs/dbraw/zinc/26/82/30/508268230.db2.gz VIRVFJULUIPRBD-GXTWGEPZSA-N -1 1 365.499 2.851 50 0 FFAAMM Cc1cc(=O)[n-]c(S[C@H](C)C(=O)NCc2coc(-c3ccccc3)n2)n1 ZINC000221369786 509308368 /nfs/dbraw/zinc/30/83/68/509308368.db2.gz MTUQMEDMRFYOGI-GFCCVEGCSA-N -1 1 370.434 2.530 50 0 FFAAMM CC(C)(C)OC(=O)N1CC(C(=O)Nc2ccc(Br)c([O-])c2)C1 ZINC000170617775 509681069 /nfs/dbraw/zinc/68/10/69/509681069.db2.gz BIMSLYDDEWAXIC-UHFFFAOYSA-N -1 1 371.231 2.960 50 0 FFAAMM COc1c2c(cc3c1[C@H](CC(=O)c1ccc([O-])cc1)N(C)CC3)OCO2 ZINC000409413729 513102638 /nfs/dbraw/zinc/10/26/38/513102638.db2.gz GRPGMMXBVAAIPK-HNNXBMFYSA-N -1 1 355.390 2.932 50 0 biogenic FFAAMM COc1ccc(-c2ccc([N-]S(C)(=O)=O)nc2)c(-n2nc(C)cc2C)c1 ZINC000426613663 513996174 /nfs/dbraw/zinc/99/61/74/513996174.db2.gz RSGWEGISPORKFX-UHFFFAOYSA-N -1 1 372.450 2.931 50 0 FFAAMM COc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000030568385 518169559 /nfs/dbraw/zinc/16/95/59/518169559.db2.gz ZURSXIISSUWSSR-UHFFFAOYSA-N -1 1 352.412 2.617 50 0 FFAAMM O=C(NCc1cccc(OC(F)F)c1)c1cnc(-c2cccnc2)[n-]c1=O ZINC000091624610 526725277 /nfs/dbraw/zinc/72/52/77/526725277.db2.gz HTOMGMIRNQACAM-UHFFFAOYSA-N -1 1 372.331 2.776 50 0 FFAAMM CCNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1c(C)noc1C ZINC000045961832 570916872 /nfs/dbraw/zinc/91/68/72/570916872.db2.gz MEIGSIKJIXVVCY-UHFFFAOYSA-N -1 1 363.395 2.630 50 0 FFAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc(C)c1)CC(=O)N2 ZINC000046074014 570924102 /nfs/dbraw/zinc/92/41/02/570924102.db2.gz UDSSWKRRJHPORZ-LBPRGKRZSA-N -1 1 372.450 2.645 50 0 FFAAMM O=S(=O)([N-][C@H]1CCCN(Cc2ccccn2)C1)c1cc2ccccc2o1 ZINC000072145776 571172979 /nfs/dbraw/zinc/17/29/79/571172979.db2.gz SHGRTZYUJPUYHV-KRWDZBQOSA-N -1 1 371.462 2.771 50 0 FFAAMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000670457943 571355323 /nfs/dbraw/zinc/35/53/23/571355323.db2.gz WLZUTUAXGPFBAG-ZDUSSCGKSA-N -1 1 362.813 2.602 50 0 FFAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N=c2sccn2C)c1 ZINC000254685783 729626732 /nfs/dbraw/zinc/62/67/32/729626732.db2.gz OBUHOSCCHINKBA-UHFFFAOYSA-N -1 1 359.480 2.834 50 0 FFAAMM CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001506423788 1059511896 /nfs/dbraw/zinc/51/18/96/1059511896.db2.gz WTCFDBBIZVVHFQ-AWEZNQCLSA-N -1 1 352.438 2.658 50 0 FFAAMM Cc1c(CC(=O)NCCc2ccccc2F)c(=O)oc2cc(O)cc([O-])c12 ZINC000005345732 204204884 /nfs/dbraw/zinc/20/48/84/204204884.db2.gz OKRMZOXFQZJWQS-UHFFFAOYSA-N -1 1 371.364 2.553 50 0 FFAAMM COc1cc(-c2oc3c(OC)c(OC)cc(=O)c-3c([O-])c2OC)ccc1O ZINC000005732757 204223881 /nfs/dbraw/zinc/22/38/81/204223881.db2.gz DGUWNYKZOJRCQQ-UHFFFAOYSA-N -1 1 374.345 2.906 50 0 biogenic,in-vitro FFAAMM COc1cc(-c2oc3c(OC)c(OC)cc([O-])c3c(=O)c2OC)ccc1O ZINC000005732757 204223884 /nfs/dbraw/zinc/22/38/84/204223884.db2.gz DGUWNYKZOJRCQQ-UHFFFAOYSA-N -1 1 374.345 2.906 50 0 biogenic,in-vitro FFAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccccc2F)[n-]c1=O ZINC000007421824 204298357 /nfs/dbraw/zinc/29/83/57/204298357.db2.gz KYYUMHRXRFOHMJ-UHFFFAOYSA-N -1 1 355.373 2.526 50 0 FFAAMM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc21 ZINC000006730373 204263260 /nfs/dbraw/zinc/26/32/60/204263260.db2.gz CDEWWEFGHVMUDT-UHFFFAOYSA-N -1 1 360.410 2.926 50 0 FFAAMM O=C(NCc1ccccn1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000008289762 204324506 /nfs/dbraw/zinc/32/45/06/204324506.db2.gz OYSCDKWBSCBLII-UHFFFAOYSA-N -1 1 367.430 2.812 50 0 FFAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C)cc2)c1 ZINC000009515211 204371845 /nfs/dbraw/zinc/37/18/45/204371845.db2.gz IZXXDZKVVWZRHQ-UHFFFAOYSA-N -1 1 362.451 2.983 50 0 FFAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2C)c(C)c1 ZINC000014867653 204588911 /nfs/dbraw/zinc/58/89/11/204588911.db2.gz GYARGSHWZKXGHM-UHFFFAOYSA-N -1 1 353.465 2.816 50 0 FFAAMM COc1ccc(-c2noc(-c3ccc(S(=O)(=O)[N-]C(C)C)o3)n2)cc1 ZINC000036358717 205012407 /nfs/dbraw/zinc/01/24/07/205012407.db2.gz ZRKZMWLIEFYRSD-UHFFFAOYSA-N -1 1 363.395 2.692 50 0 FFAAMM O=C([O-])c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccn1 ZINC000040309537 205023879 /nfs/dbraw/zinc/02/38/79/205023879.db2.gz BWLSBRACRPQXRV-QGZVFWFLSA-N -1 1 363.377 2.683 50 0 biogenic FFAAMM COc1cc(CS(=O)(=O)c2n[n-]c(C(C)C)n2)ccc1OC(F)F ZINC000040152206 205060538 /nfs/dbraw/zinc/06/05/38/205060538.db2.gz DCLLVZCMSDHMBK-UHFFFAOYSA-N -1 1 361.370 2.512 50 0 FFAAMM Cn1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000055135694 205207880 /nfs/dbraw/zinc/20/78/80/205207880.db2.gz HEORREKUNPXMSE-UHFFFAOYSA-N -1 1 372.331 2.909 50 0 FFAAMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)s1 ZINC000058173105 205253689 /nfs/dbraw/zinc/25/36/89/205253689.db2.gz OIZIVFAMBWJFKK-UHFFFAOYSA-N -1 1 356.444 2.675 50 0 FFAAMM Cc1nc(C)c(-c2nnc([N-]C(=O)c3cnn(-c4ccccc4)n3)o2)s1 ZINC000049449343 206087467 /nfs/dbraw/zinc/08/74/67/206087467.db2.gz IWWCMKTZWGPMRY-UHFFFAOYSA-N -1 1 367.394 2.643 50 0 FFAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1F ZINC000005329456 206194751 /nfs/dbraw/zinc/19/47/51/206194751.db2.gz MFLGIKPUZJWZSA-UHFFFAOYSA-N -1 1 364.398 2.762 50 0 FFAAMM Cc1ccc(Cc2cnc(NC(=O)C=C3SC(=O)[N-]C3=O)s2)cc1 ZINC000006584123 206202086 /nfs/dbraw/zinc/20/20/86/206202086.db2.gz SZGSNQIAHFTOQB-GHXNOFRVSA-N -1 1 359.432 2.848 50 0 FFAAMM Cc1nc2[n-]c(NC(=O)c3cccs3)nn2c(=O)c1Cc1ccccc1 ZINC000101385619 206228067 /nfs/dbraw/zinc/22/80/67/206228067.db2.gz IWCJOECTJOWOST-UHFFFAOYSA-N -1 1 365.418 2.631 50 0 FFAAMM CCCCCC(=O)Nc1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101384631 206228707 /nfs/dbraw/zinc/22/87/07/206228707.db2.gz IVTROSGBPOCHLB-UHFFFAOYSA-N -1 1 353.426 2.836 50 0 FFAAMM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)[C@H](O)C(F)(F)F ZINC000331028915 258175525 /nfs/dbraw/zinc/17/55/25/258175525.db2.gz XGOSXOKDSWJEPR-SVRRBLITSA-N -1 1 351.799 2.690 50 0 FFAAMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)cc3c2N1CCC3 ZINC000005154153 132256577 /nfs/dbraw/zinc/25/65/77/132256577.db2.gz HDYOEGOHABPNLY-UHFFFAOYSA-N -1 1 360.410 2.852 50 0 FFAAMM O=S(=O)([N-]c1ccccc1N1CCOCC1)c1cccc2ncccc21 ZINC000065479351 136136617 /nfs/dbraw/zinc/13/66/17/136136617.db2.gz HJKOYOFICJVJRK-UHFFFAOYSA-N -1 1 369.446 2.872 50 0 FFAAMM Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000004580670 263334288 /nfs/dbraw/zinc/33/42/88/263334288.db2.gz OGOCJUYPBFPHTN-UHFFFAOYSA-N -1 1 364.357 2.763 50 0 FFAAMM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(C)CC2)cc1 ZINC000032946566 506316457 /nfs/dbraw/zinc/31/64/57/506316457.db2.gz FJWAKGGUZXRLAC-UHFFFAOYSA-N -1 1 353.422 2.697 50 0 FFAAMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(Oc2cnccn2)CC1 ZINC000373249818 512240735 /nfs/dbraw/zinc/24/07/35/512240735.db2.gz LHZQTTCZUQAJQO-UHFFFAOYSA-N -1 1 367.327 2.885 50 0 FFAAMM Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000012408493 506859715 /nfs/dbraw/zinc/85/97/15/506859715.db2.gz IAPZEGAGTYJMMD-UHFFFAOYSA-N -1 1 353.426 2.595 50 0 FFAAMM COc1cc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc(Br)c1[O-] ZINC000014137836 506970111 /nfs/dbraw/zinc/97/01/11/506970111.db2.gz TZDDFDXRGYGSBL-MRVPVSSYSA-N -1 1 374.231 2.623 50 0 FFAAMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)c1 ZINC000015669334 507053524 /nfs/dbraw/zinc/05/35/24/507053524.db2.gz ZVJKEIWOVDDRNQ-UHFFFAOYSA-N -1 1 355.419 2.855 50 0 FFAAMM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(F)c2ncccc12 ZINC000024578514 507421867 /nfs/dbraw/zinc/42/18/67/507421867.db2.gz HCANCPGHUMCUOR-UHFFFAOYSA-N -1 1 360.366 2.946 50 0 FFAAMM O=C(NCc1ccc2c(c1)OCCO2)c1cc(Br)ccc1[O-] ZINC000028817400 507743923 /nfs/dbraw/zinc/74/39/23/507743923.db2.gz GMXPIXHCPUPQCG-UHFFFAOYSA-N -1 1 364.195 2.856 50 0 FFAAMM c1cn(-c2ccc(Oc3nnn[n-]3)cc2)c(-c2ccc(-c3cc[nH]n3)o2)n1 ZINC000072129372 507752981 /nfs/dbraw/zinc/75/29/81/507752981.db2.gz UISCVPCWRBXTLN-UHFFFAOYSA-N -1 1 360.337 2.828 50 0 FFAAMM c1cn(-c2ccc(Oc3nn[n-]n3)cc2)c(-c2ccc(-c3cc[nH]n3)o2)n1 ZINC000072129372 507752986 /nfs/dbraw/zinc/75/29/86/507752986.db2.gz UISCVPCWRBXTLN-UHFFFAOYSA-N -1 1 360.337 2.828 50 0 FFAAMM Cn1c2ccccc2nc1-c1nccn1-c1ccc(Oc2nnn[n-]2)cc1 ZINC000072167907 507768075 /nfs/dbraw/zinc/76/80/75/507768075.db2.gz PFRPROLFXHAPEO-UHFFFAOYSA-N -1 1 358.365 2.731 50 0 FFAAMM Cn1c2ccccc2nc1-c1nccn1-c1ccc(Oc2nn[n-]n2)cc1 ZINC000072167907 507768081 /nfs/dbraw/zinc/76/80/81/507768081.db2.gz PFRPROLFXHAPEO-UHFFFAOYSA-N -1 1 358.365 2.731 50 0 FFAAMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc(C3CC3)cs2)o1 ZINC000030643168 507811647 /nfs/dbraw/zinc/81/16/47/507811647.db2.gz OWTXRHMOGXCHTL-UHFFFAOYSA-N -1 1 369.468 2.943 50 0 FFAAMM O=C(c1ccc(Cl)cc1[O-])N1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 ZINC000091304425 507979133 /nfs/dbraw/zinc/97/91/33/507979133.db2.gz WHCXNDNGMXEGSE-SWLSCSKDSA-N -1 1 362.857 2.909 50 0 FFAAMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000091327103 507981028 /nfs/dbraw/zinc/98/10/28/507981028.db2.gz LEHDJWAHEDPOFY-ZDUSSCGKSA-N -1 1 364.405 2.808 50 0 FFAAMM COc1ccc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3CC=C(C)C)cc1C(=O)[O-] ZINC000091595615 507995118 /nfs/dbraw/zinc/99/51/18/507995118.db2.gz YRVICDVGXMXBQP-DLBZAZTESA-N -1 1 372.465 2.782 50 0 FFAAMM Cc1nc(-c2ncc(C(=O)N(C)[C@@H](C)c3ccncc3)c(=O)[n-]2)cs1 ZINC000092037967 508035624 /nfs/dbraw/zinc/03/56/24/508035624.db2.gz ABGSAIHMFFOLKA-JTQLQIEISA-N -1 1 355.423 2.842 50 0 FFAAMM COC(=O)C[C@@H](c1c(C)[n-][nH]c1=O)c1ccc(OC(F)F)c(OC)c1 ZINC000095477633 508188993 /nfs/dbraw/zinc/18/89/93/508188993.db2.gz NUROFDOVVSFDAC-SNVBAGLBSA-N -1 1 356.325 2.729 50 0 FFAAMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC(C(F)(F)F)CC1 ZINC000173461780 509615036 /nfs/dbraw/zinc/61/50/36/509615036.db2.gz KFMAPHJYLYBQHJ-UHFFFAOYSA-N -1 1 370.375 2.785 50 0 FFAAMM COCc1nc([C@H]2C[C@@H](Nc3nc(C)c4c(n3)CCCC4)C2)cc(=O)[n-]1 ZINC000253534925 509886697 /nfs/dbraw/zinc/88/66/97/509886697.db2.gz WTSSDDVEPDPZQZ-BETUJISGSA-N -1 1 355.442 2.664 50 0 FFAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N=c2sccn2C)cc1 ZINC000254790237 509910543 /nfs/dbraw/zinc/91/05/43/509910543.db2.gz AVCGQHXTFCBYNS-UHFFFAOYSA-N -1 1 359.480 2.834 50 0 FFAAMM Cc1cccc([C@H](NC(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)C(=O)[O-])c1 ZINC000426595121 513990548 /nfs/dbraw/zinc/99/05/48/513990548.db2.gz YJLMJEZDCRZCKG-INIZCTEOSA-N -1 1 358.442 2.983 50 0 FFAAMM CCc1cc(CN(C)C(=O)c2cnc(-c3ccc(C)cc3)[n-]c2=O)on1 ZINC000091391389 523787964 /nfs/dbraw/zinc/78/79/64/523787964.db2.gz FVGSUIZUGVFJSU-UHFFFAOYSA-N -1 1 352.394 2.568 50 0 FFAAMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1c2ccccc2C[C@H]1C ZINC000047327501 570885365 /nfs/dbraw/zinc/88/53/65/570885365.db2.gz HTSBFXSMMKQAFN-CYBMUJFWSA-N -1 1 360.417 2.661 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2.761 50 0 FFAAMM O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)cc3c2OCC3)cc1 ZINC000170594119 509673825 /nfs/dbraw/zinc/67/38/25/509673825.db2.gz PHCZMOLIQQWYHS-UHFFFAOYSA-N -1 1 353.783 2.774 50 0 FFAAMM COCC1(CNC(=O)c2cnc(-c3csc(C)n3)[n-]c2=O)CCCC1 ZINC000091476921 522898018 /nfs/dbraw/zinc/89/80/18/522898018.db2.gz OQFCULVXFQWOMT-UHFFFAOYSA-N -1 1 362.455 2.551 50 0 FFAAMM CC(C)(C)c1ncc(C(=O)NCc2coc(-c3ccccc3)n2)c(=O)[n-]1 ZINC000082157722 979449324 /nfs/dbraw/zinc/44/93/24/979449324.db2.gz BEGHXDZTPAQXRZ-UHFFFAOYSA-N -1 1 352.394 2.652 50 0 FFAAMM O=C(CCc1nc2cc(F)ccc2[nH]1)Nc1ccc(Oc2nn[n-]n2)cc1 ZINC000828054211 999552358 /nfs/dbraw/zinc/55/23/58/999552358.db2.gz WHXNKVYQPDGJEC-UHFFFAOYSA-N -1 1 367.344 2.579 50 0 FFAAMM Cc1cc([C@@H](C(=O)[O-])N2CCCN(C(=O)c3ccco3)CC2)ccc1F ZINC001506410521 1059500661 /nfs/dbraw/zinc/50/06/61/1059500661.db2.gz LWYVEXCRVWHSRM-KRWDZBQOSA-N -1 1 360.385 2.701 50 0 FFAAMM CC(=O)Nc1nonc1[N-]C(=O)c1ccoc1COc1ccc(C)cc1 ZINC001506422364 1059511348 /nfs/dbraw/zinc/51/13/48/1059511348.db2.gz AKXLPYUSFBMGTC-UHFFFAOYSA-N -1 1 356.338 2.761 50 0 FFAAMM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2coc3ccccc3c2=O)N1 ZINC000001867548 209394509 /nfs/dbraw/zinc/39/45/09/209394509.db2.gz KVUHRGCWHSLKBK-APWZRJJASA-N -1 1 360.369 2.963 50 0 biogenic FFAAMM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1 ZINC000048326444 209330882 /nfs/dbraw/zinc/33/08/82/209330882.db2.gz AODCBMOMTWCWCY-UHFFFAOYSA-N -1 1 371.361 2.708 50 0 FFAAMM COC(=O)C1=C(C)Nc2nc(SC(C)C)[n-]c(=O)c2[C@H]1c1cccnc1 ZINC000101237945 209222818 /nfs/dbraw/zinc/22/28/18/209222818.db2.gz ZKUNTQBUGSAWHO-ZDUSSCGKSA-N -1 1 372.450 2.670 50 0 FFAAMM COC(=O)C1=C(C)Nc2nc(SC(C)C)[n-]c(=O)c2[C@@H]1c1cccnc1 ZINC000101237949 209222823 /nfs/dbraw/zinc/22/28/23/209222823.db2.gz ZKUNTQBUGSAWHO-CYBMUJFWSA-N -1 1 372.450 2.670 50 0 FFAAMM Cc1ccc(C=Cc2nc(SCC(=O)[N-]C(=O)c3ccccc3)n[nH]2)o1 ZINC000097015515 209167228 /nfs/dbraw/zinc/16/72/28/209167228.db2.gz GMLYAVSJUPJVPV-KTKRTIGZSA-N -1 1 368.418 2.925 50 0 FFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1NC(C)=O ZINC000005126893 207081701 /nfs/dbraw/zinc/08/17/01/207081701.db2.gz UMRJNBFIFUBXJD-UHFFFAOYSA-N -1 1 352.387 2.902 50 0 FFAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1 ZINC000007420249 207194865 /nfs/dbraw/zinc/19/48/65/207194865.db2.gz AOULONUTYPKHLE-UHFFFAOYSA-N -1 1 355.373 2.608 50 0 FFAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccccc2SC)n1 ZINC000007419977 207195780 /nfs/dbraw/zinc/19/57/80/207195780.db2.gz GEXRQPBEHRNJKH-UHFFFAOYSA-N -1 1 369.450 2.801 50 0 FFAAMM CCOC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(Cl)ccc32)CC1 ZINC000012389219 207369683 /nfs/dbraw/zinc/36/96/83/207369683.db2.gz WFZXNCRPPVGPCU-OAHLLOKOSA-N -1 1 365.817 2.721 50 0 FFAAMM CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)[N-]C(=O)C(F)(F)C(F)F ZINC000012412324 207371567 /nfs/dbraw/zinc/37/15/67/207371567.db2.gz SHIHBULMVCOMEV-GFCCVEGCSA-N -1 1 360.307 2.659 50 0 biogenic,in-vitro FFAAMM Cc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)[N-]C2CC2)o1 ZINC000032645897 208036511 /nfs/dbraw/zinc/03/65/11/208036511.db2.gz NCJJPBVNSMGRBI-UHFFFAOYSA-N -1 1 354.815 2.934 50 0 FFAAMM CNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cccc(OC)c3)cc2)CCC1 ZINC000033277561 208080585 /nfs/dbraw/zinc/08/05/85/208080585.db2.gz QCUFLJIVHCDQMY-UHFFFAOYSA-N -1 1 374.462 2.664 50 0 FFAAMM CC[C@H](C(=O)N1CCc2c(nc(-c3ccccn3)[n-]c2=O)C1)c1ccccc1 ZINC000071775739 208779750 /nfs/dbraw/zinc/77/97/50/208779750.db2.gz WACRKFTXILPLFO-INIZCTEOSA-N -1 1 374.444 2.910 50 0 FFAAMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ccc(C)cc2)o1 ZINC000076022649 208891275 /nfs/dbraw/zinc/89/12/75/208891275.db2.gz RUKWRLOPCLSMHH-OAHLLOKOSA-N -1 1 362.451 2.864 50 0 FFAAMM COC(=O)C[C@H](c1c(C)[n-][nH]c1=O)c1cccc(Oc2ncccn2)c1 ZINC000095476102 209058200 /nfs/dbraw/zinc/05/82/00/209058200.db2.gz YZVNVCZPLMAYNT-AWEZNQCLSA-N -1 1 354.366 2.701 50 0 FFAAMM Cc1ccc(CC(=O)N2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)cc1 ZINC000332514573 258232955 /nfs/dbraw/zinc/23/29/55/258232955.db2.gz GEVYDQHMJKZEJJ-UHFFFAOYSA-N -1 1 374.387 2.506 50 0 FFAAMM CCN1CCCn2cc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2C1=O ZINC000065258781 506277629 /nfs/dbraw/zinc/27/76/29/506277629.db2.gz FBKFEKZYRJUCLJ-UHFFFAOYSA-N -1 1 361.467 2.772 50 0 FFAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc4nncn4n3)cc2)cc1 ZINC000005150846 506424177 /nfs/dbraw/zinc/42/41/77/506424177.db2.gz DXFWJJMXWYQTIM-UHFFFAOYSA-N -1 1 365.418 2.901 50 0 FFAAMM O=C([O-])c1csc(N2[NH2+]C(C=Cc3ccco3)=C[C@]2([O-])C(F)(F)F)n1 ZINC000005243354 506429756 /nfs/dbraw/zinc/42/97/56/506429756.db2.gz ZBUFVZLDGWYOIR-OOPCZODUSA-N -1 1 373.312 2.965 50 0 FFAAMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccc(SC)c1 ZINC000054294729 506532671 /nfs/dbraw/zinc/53/26/71/506532671.db2.gz PIDNRPWPEODFOJ-UHFFFAOYSA-N -1 1 367.448 2.845 50 0 FFAAMM Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)n(-c2nc(C)cc(=O)[n-]2)n1 ZINC000007418706 506561867 /nfs/dbraw/zinc/56/18/67/506561867.db2.gz PUSHTGGMXHMJKP-UHFFFAOYSA-N -1 1 367.453 2.727 50 0 FFAAMM Cc1c(CC(=O)N[C@H](C)CCc2ccco2)c(=O)oc2cc(O)cc([O-])c12 ZINC000008765323 506667995 /nfs/dbraw/zinc/66/79/95/506667995.db2.gz VXFONQUXTJKLNW-LLVKDONJSA-N -1 1 371.389 2.786 50 0 biogenic FFAAMM COC(=O)c1n[nH]c2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc21 ZINC000055583832 506788590 /nfs/dbraw/zinc/78/85/90/506788590.db2.gz OODIGRKOYXGYHI-UHFFFAOYSA-N -1 1 363.370 2.598 50 0 FFAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)C2CC2)n1 ZINC000012007644 506810179 /nfs/dbraw/zinc/81/01/79/506810179.db2.gz FKDFOLSBXTWVSC-UHFFFAOYSA-N -1 1 353.382 2.688 50 0 FFAAMM CCCN(Cc1ccc(C(N)=O)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000012735468 506894600 /nfs/dbraw/zinc/89/46/00/506894600.db2.gz QGHFIJWBNHNVNZ-UHFFFAOYSA-N -1 1 356.451 2.908 50 0 FFAAMM CCOc1ncccc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000012778114 506900617 /nfs/dbraw/zinc/90/06/17/506900617.db2.gz LZOZWBZRTZOODC-UHFFFAOYSA-N -1 1 354.406 2.921 50 0 FFAAMM COc1ccccc1-n1c2nnc([S-])n2c2sc3c(c2c1=O)CCC3 ZINC000013151335 506930993 /nfs/dbraw/zinc/93/09/93/506930993.db2.gz TVIXPNHUXDUSQH-UHFFFAOYSA-N -1 1 370.459 2.881 50 0 FFAAMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000013339979 506938894 /nfs/dbraw/zinc/93/88/94/506938894.db2.gz HGBAEQRLKNYGOJ-UHFFFAOYSA-N -1 1 369.782 2.610 50 0 FFAAMM Nc1cc(=O)[n-]c(S[C@@H](C(=O)NC2CCCCC2)c2ccccc2)n1 ZINC000013945887 506960625 /nfs/dbraw/zinc/96/06/25/506960625.db2.gz OYKGYDKADKNADD-MRXNPFEDSA-N -1 1 358.467 2.634 50 0 FFAAMM O=C1COc2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)cc2N1 ZINC000020491516 507224655 /nfs/dbraw/zinc/22/46/55/507224655.db2.gz JGUMUHDUFLOKIK-UHFFFAOYSA-N -1 1 372.324 2.837 50 0 FFAAMM O=C(Cc1cc(=O)[n-]c(SCc2ccccc2)n1)NCc1ccncc1 ZINC000023137961 507334051 /nfs/dbraw/zinc/33/40/51/507334051.db2.gz YDCJNOZEEPECKQ-UHFFFAOYSA-N -1 1 366.446 2.728 50 0 FFAAMM CCN(C(=O)CCc1c(C)nc(-c2ccccn2)[n-]c1=O)C1CCCC1 ZINC000058218634 507387995 /nfs/dbraw/zinc/38/79/95/507387995.db2.gz SIFWDAQAHHSNTL-UHFFFAOYSA-N -1 1 354.454 2.864 50 0 FFAAMM COc1ccc(NC(=O)c2nccc3ccccc32)cc1[N-]S(C)(=O)=O ZINC000060201433 507518882 /nfs/dbraw/zinc/51/88/82/507518882.db2.gz SZOJRARRTDWIND-UHFFFAOYSA-N -1 1 371.418 2.867 50 0 FFAAMM Cc1cc(S(=O)(=O)Nc2cccc3cccnc32)ccc1OCC(=O)[O-] ZINC000063476496 507735569 /nfs/dbraw/zinc/73/55/69/507735569.db2.gz MGWZHWATEOSPPP-UHFFFAOYSA-N -1 1 372.402 2.807 50 0 FFAAMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(Br)ccc1F ZINC000029389833 507776746 /nfs/dbraw/zinc/77/67/46/507776746.db2.gz YLZDOHVJZPGHGF-UHFFFAOYSA-N -1 1 353.073 2.977 50 0 FFAAMM CCc1nccc(CN2CCC(Oc3ccccc3C)(C(=O)[O-])CC2)n1 ZINC000072448092 507792926 /nfs/dbraw/zinc/79/29/26/507792926.db2.gz UCITVNVWZCBNSX-UHFFFAOYSA-N -1 1 355.438 2.846 50 0 FFAAMM Cc1ccc2n[nH]c(C(=O)N3C[C@@H](c4ccc(F)cc4)[C@H](C(=O)[O-])C3)c2c1 ZINC000091695576 508002892 /nfs/dbraw/zinc/00/28/92/508002892.db2.gz IEVWALZQRVQHSS-JKSUJKDBSA-N -1 1 367.380 2.951 50 0 FFAAMM COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000096297662 508213019 /nfs/dbraw/zinc/21/30/19/508213019.db2.gz VZOBXIQCMHTZEW-OQFOIZHKSA-N -1 1 351.355 2.733 50 0 FFAAMM Cc1ccc(CCC(=O)N2CCc3c(nc(-c4ccncc4)[n-]c3=O)C2)cc1 ZINC000077489685 508323382 /nfs/dbraw/zinc/32/33/82/508323382.db2.gz MGQIHHYGHNKCOV-UHFFFAOYSA-N -1 1 374.444 2.658 50 0 FFAAMM COc1ccc(C[N@@H+](C)C[C@H]2Cc3ccccc3CN2C)cc1C(=O)[O-] ZINC000216038568 509255367 /nfs/dbraw/zinc/25/53/67/509255367.db2.gz KPBSKCSLYQAUCI-GOSISDBHSA-N -1 1 354.450 2.882 50 0 FFAAMM COCc1c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)sc2cccc(F)c21 ZINC000183433663 509788034 /nfs/dbraw/zinc/78/80/34/509788034.db2.gz VDVVWKNKSVWUCW-VIFPVBQESA-N -1 1 363.418 2.576 50 0 FFAAMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@@]2(C3=CCOCC3)COCC[C@H]12 ZINC000244787867 509869392 /nfs/dbraw/zinc/86/93/92/509869392.db2.gz QFCXXEGHRHZORO-ICSRJNTNSA-N -1 1 361.413 2.889 50 0 FFAAMM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2ccc(CN3CCCC3)o2)C1 ZINC000299775837 511676153 /nfs/dbraw/zinc/67/61/53/511676153.db2.gz LDHMQPBEFBSJPO-NRFANRHFSA-N -1 1 368.433 2.744 50 0 FFAAMM CCCO[C@@H]1CCCN(C(=O)c2cnc(-c3ccc(C)cc3)[n-]c2=O)C1 ZINC000091492901 520269961 /nfs/dbraw/zinc/26/99/61/520269961.db2.gz JKWVBYWFAPNQJL-MRXNPFEDSA-N -1 1 355.438 2.777 50 0 FFAAMM O=C(NCCc1cccc(C(F)(F)F)c1)c1cnc(C2CC2)[n-]c1=O ZINC000091625367 526415271 /nfs/dbraw/zinc/41/52/71/526415271.db2.gz XPZGQHORYIXWLO-UHFFFAOYSA-N -1 1 351.328 2.639 50 0 FFAAMM O=C(CSc1nc(=O)cc([O-])n1C1CCCC1)NC1CCCCC1 ZINC000102137626 570827676 /nfs/dbraw/zinc/82/76/76/570827676.db2.gz MSRDQUBCEUMKCH-UHFFFAOYSA-N -1 1 351.472 2.605 50 0 FFAAMM O=C(CSc1nc([O-])cc(=O)n1C1CCCC1)NC1CCCCC1 ZINC000102137626 570827679 /nfs/dbraw/zinc/82/76/79/570827679.db2.gz MSRDQUBCEUMKCH-UHFFFAOYSA-N -1 1 351.472 2.605 50 0 FFAAMM CN(C)c1cccc([C@H]2CCCN2C(=O)c2c[n-]c3c(cnn3C)c2=O)c1 ZINC000179506418 991281644 /nfs/dbraw/zinc/28/16/44/991281644.db2.gz NZKQJLVAJZGRPN-QGZVFWFLSA-N -1 1 365.437 2.717 50 0 FFAAMM CCc1nc(C)c(CNC(=O)[C@@H](C)Sc2nc(C)cc(=O)[n-]2)s1 ZINC000253536074 209947635 /nfs/dbraw/zinc/94/76/35/209947635.db2.gz GWRBPWDYUSVHDX-SNVBAGLBSA-N -1 1 352.485 2.615 50 0 FFAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2C)cc1 ZINC000002875794 209399590 /nfs/dbraw/zinc/39/95/90/209399590.db2.gz RCWDJGPXKRABPP-UHFFFAOYSA-N -1 1 374.462 2.577 50 0 FFAAMM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2coc3ccccc3c2=O)N1 ZINC000001867546 209394428 /nfs/dbraw/zinc/39/44/28/209394428.db2.gz KVUHRGCWHSLKBK-VQIMIIECSA-N -1 1 360.369 2.963 50 0 biogenic FFAAMM Cc1ccc([C@H]2C[C@@H]2C(=O)Nn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000102003181 209231881 /nfs/dbraw/zinc/23/18/81/209231881.db2.gz GUEZMMUCPGOLSC-CABCVRRESA-N -1 1 351.431 2.867 50 0 FFAAMM O=C([O-])CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000004521500 207024657 /nfs/dbraw/zinc/02/46/57/207024657.db2.gz XNWPGFGLHGFRRP-UHFFFAOYSA-N -1 1 366.417 2.638 50 0 FFAAMM CCN(CC)C(=O)C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O ZINC000004679204 207036424 /nfs/dbraw/zinc/03/64/24/207036424.db2.gz UPDIZNVREJEWNR-INIZCTEOSA-N -1 1 364.804 2.933 50 0 FFAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)NCCc1cccc(F)c1 ZINC000005204399 207087706 /nfs/dbraw/zinc/08/77/06/207087706.db2.gz PCEDRCPQXVFTKZ-UHFFFAOYSA-N -1 1 355.365 2.848 50 0 FFAAMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000006668170 207153208 /nfs/dbraw/zinc/15/32/08/207153208.db2.gz USVDFSRNKGQCDE-UHFFFAOYSA-N -1 1 352.412 2.848 50 0 FFAAMM Cn1c2cc(S(=O)(=O)[N-]c3cccc4c3CCCC4)ccc2oc1=O ZINC000008783078 207248907 /nfs/dbraw/zinc/24/89/07/207248907.db2.gz BAFYBCTVJBUPIV-UHFFFAOYSA-N -1 1 358.419 2.811 50 0 FFAAMM O=C(CSc1nccc(=O)[n-]1)Nc1ccccc1C(=O)c1ccccc1 ZINC000009143473 207258937 /nfs/dbraw/zinc/25/89/37/207258937.db2.gz FBJROIWBWCVGOO-UHFFFAOYSA-N -1 1 365.414 2.732 50 0 FFAAMM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3nc(C4CC4)n[nH]3)c12 ZINC000032885620 208053251 /nfs/dbraw/zinc/05/32/51/208053251.db2.gz RXPMMITYMALENR-UHFFFAOYSA-N -1 1 362.436 2.884 50 0 FFAAMM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3n[nH]c(C4CC4)n3)c12 ZINC000032885620 208053255 /nfs/dbraw/zinc/05/32/55/208053255.db2.gz RXPMMITYMALENR-UHFFFAOYSA-N -1 1 362.436 2.884 50 0 FFAAMM NC(=O)C[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000034194587 208103323 /nfs/dbraw/zinc/10/33/23/208103323.db2.gz QIRPOVMESMPVKL-HXUWFJFHSA-N -1 1 374.440 2.897 50 0 FFAAMM CSc1ccccc1[N-]C(=O)c1coc(NC(=O)c2cnccn2)n1 ZINC000075157974 208191986 /nfs/dbraw/zinc/19/19/86/208191986.db2.gz LVJHONOUNYMKNM-UHFFFAOYSA-N -1 1 355.379 2.691 50 0 FFAAMM CCN1CC2(CCC1=O)CCN(C(=O)c1cc(Cl)ccc1[O-])CC2 ZINC000091997982 209010307 /nfs/dbraw/zinc/01/03/07/209010307.db2.gz CJNYYVIWRVXJBH-UHFFFAOYSA-N -1 1 350.846 2.910 50 0 FFAAMM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000095379381 209040262 /nfs/dbraw/zinc/04/02/62/209040262.db2.gz GWGFWJZLYNVVJP-AWEZNQCLSA-N -1 1 370.371 2.603 50 0 FFAAMM O=C1COc2ccc(S(=O)(=O)[N-]c3cccc4ccc(O)cc43)cc2N1 ZINC000095431814 209048626 /nfs/dbraw/zinc/04/86/26/209048626.db2.gz JVGIKEMOLKYWQI-UHFFFAOYSA-N -1 1 370.386 2.677 50 0 FFAAMM Cc1ccc(NC(=S)c2c(N)nc(N3CCC(C)CC3)[n-]c2=O)cc1 ZINC000040385541 136119650 /nfs/dbraw/zinc/11/96/50/136119650.db2.gz MIHJRYLRNCVQAE-UHFFFAOYSA-N -1 1 357.483 2.684 50 0 FFAAMM O=C([O-])[C@]1(Cc2cccc(Cl)c2)CCCN(c2ncnc3[nH]cnc32)C1 ZINC000071776909 136141042 /nfs/dbraw/zinc/14/10/42/136141042.db2.gz ZOQZNTOVFJLKAW-SFHVURJKSA-N -1 1 371.828 2.920 50 0 FFAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000000640799 506226316 /nfs/dbraw/zinc/22/63/16/506226316.db2.gz IIBCOYGTPYCACM-UHFFFAOYSA-N -1 1 362.407 2.623 50 0 FFAAMM Nc1cc(=O)[n-]c(SCC(=O)Nc2cccc(Oc3ccccc3)c2)n1 ZINC000003867237 506352302 /nfs/dbraw/zinc/35/23/02/506352302.db2.gz HSHLJESYWWUEAG-UHFFFAOYSA-N -1 1 368.418 2.875 50 0 FFAAMM CCc1cc(=O)[n-]c(-n2ncc(C(=O)NCCC3=CCCCC3)c2C)n1 ZINC000038670876 506441789 /nfs/dbraw/zinc/44/17/89/506441789.db2.gz LCJUNLQEBHUZOI-UHFFFAOYSA-N -1 1 355.442 2.859 50 0 FFAAMM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)NCCc3ccccc3)c(=O)c12 ZINC000007424099 506561905 /nfs/dbraw/zinc/56/19/05/506561905.db2.gz FSUQOIAILGKYMB-UHFFFAOYSA-N -1 1 372.428 2.995 50 0 FFAAMM Cc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccccc2)n1 ZINC000012006214 506807145 /nfs/dbraw/zinc/80/71/45/506807145.db2.gz GUCDMRMCYICKAY-UHFFFAOYSA-N -1 1 361.361 2.776 50 0 FFAAMM CCc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)C2CCCCC2)n1 ZINC000012123962 506819341 /nfs/dbraw/zinc/81/93/41/506819341.db2.gz DLAOQPFKEFZRBA-UHFFFAOYSA-N -1 1 355.442 2.914 50 0 FFAAMM O=C(NCCc1ccc(O)cc1)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000013574458 506945080 /nfs/dbraw/zinc/94/50/80/506945080.db2.gz DEIURAOEQSNNNI-WJDWOHSUSA-N -1 1 368.414 2.689 50 0 FFAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)cc1OC ZINC000014232450 506981912 /nfs/dbraw/zinc/98/19/12/506981912.db2.gz JPIAMHMGLVGXPC-UHFFFAOYSA-N -1 1 373.434 2.749 50 0 FFAAMM Cc1ccc(C2(O)CCN(C(=O)Cc3ccc([O-])c(Cl)c3)CC2)nc1 ZINC000067881374 507036597 /nfs/dbraw/zinc/03/65/97/507036597.db2.gz PNIWZTUOXNOMBT-UHFFFAOYSA-N -1 1 360.841 2.802 50 0 FFAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1Cl ZINC000015952745 507066793 /nfs/dbraw/zinc/06/67/93/507066793.db2.gz GETZAJWVDHHOGC-UHFFFAOYSA-N -1 1 352.799 2.780 50 0 FFAAMM Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)Nc1ccccc1F ZINC000016849590 507108299 /nfs/dbraw/zinc/10/82/99/507108299.db2.gz NRLZMTJEBGRAKO-UHFFFAOYSA-N -1 1 369.400 2.591 50 0 FFAAMM CCCCn1c2ccccc2c([O-])c(C(=O)NCc2ccncc2)c1=O ZINC000017440318 507123810 /nfs/dbraw/zinc/12/38/10/507123810.db2.gz CFWOYGVLCZAMQQ-UHFFFAOYSA-N -1 1 351.406 2.832 50 0 FFAAMM CCCCn1c([O-])c(C(=O)NCc2ccncc2)c(=O)c2ccccc21 ZINC000017440318 507123816 /nfs/dbraw/zinc/12/38/16/507123816.db2.gz CFWOYGVLCZAMQQ-UHFFFAOYSA-N -1 1 351.406 2.832 50 0 FFAAMM COc1ccccc1C[C@H](C(=O)Nc1cccc(C)c1C)c1nn[n-]n1 ZINC000057524718 507284852 /nfs/dbraw/zinc/28/48/52/507284852.db2.gz GOUQZWDXRUYLHO-HNNXBMFYSA-N -1 1 351.410 2.790 50 0 FFAAMM O=C(c1cnc(-c2cccnc2)[n-]c1=O)N1CC=C(c2ccccc2)CC1 ZINC000091793825 508013750 /nfs/dbraw/zinc/01/37/50/508013750.db2.gz OTKGKFQOVGMLQF-UHFFFAOYSA-N -1 1 358.401 2.761 50 0 FFAAMM O=C(Nn1cnc2ccccc21)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000096930733 508216053 /nfs/dbraw/zinc/21/60/53/508216053.db2.gz ATXSMOYIJPVOFY-OQLLNIDSSA-N -1 1 364.386 2.744 50 0 FFAAMM CCc1ccc(CN(C(=O)C(C)C)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101877841 508259090 /nfs/dbraw/zinc/25/90/90/508259090.db2.gz WIOJUHCWZVDZIU-UHFFFAOYSA-N -1 1 367.453 2.786 50 0 FFAAMM CC(C)n1[n-]c(=O)c2c1[nH]c1nc(=O)sc-1c2-c1ccc2c(c1)OCO2 ZINC000085412509 508306975 /nfs/dbraw/zinc/30/69/75/508306975.db2.gz GJYVGJWTVJOFQZ-UHFFFAOYSA-N -1 1 370.390 2.604 50 0 FFAAMM Cc1[n-][nH]c(=O)c1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000299756938 511669537 /nfs/dbraw/zinc/66/95/37/511669537.db2.gz IVHOHNLQECIWSS-GFCCVEGCSA-N -1 1 356.451 2.570 50 0 FFAAMM Cn1cc(C(=O)N2CCC(c3cc(CC(=O)[O-])[nH]n3)CC2)c2ccccc21 ZINC000299802813 511685888 /nfs/dbraw/zinc/68/58/88/511685888.db2.gz QJYUTXBGMYIUJA-UHFFFAOYSA-N -1 1 366.421 2.548 50 0 FFAAMM Cc1cnc(C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000547975387 516669429 /nfs/dbraw/zinc/66/94/29/516669429.db2.gz CUBBUQRPZFAYBF-UHFFFAOYSA-N -1 1 373.840 2.737 50 0 FFAAMM CCC[C@H](NC(=O)CSc1ccc(Br)cc1)c1nn[n-]n1 ZINC000089949574 521128090 /nfs/dbraw/zinc/12/80/90/521128090.db2.gz JTGJJBQMJNNGET-NSHDSACASA-N -1 1 370.276 2.712 50 0 FFAAMM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000089420092 525994546 /nfs/dbraw/zinc/99/45/46/525994546.db2.gz NCJJLCDGQZTTHR-MNOVXSKESA-N -1 1 351.863 2.740 50 0 FFAAMM CCc1n[n-]c(=S)n1CCNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000073997831 571139075 /nfs/dbraw/zinc/13/90/75/571139075.db2.gz JBKQPBQXCPWDAS-VHSXEESVSA-N -1 1 350.410 2.988 50 0 FFAAMM COc1cccc([C@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c1 ZINC000670416129 571336758 /nfs/dbraw/zinc/33/67/58/571336758.db2.gz OOJITCUQBUCPQG-CQSZACIVSA-N -1 1 354.410 2.655 50 0 FFAAMM CCc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1CC(C)C ZINC000677417504 733944245 /nfs/dbraw/zinc/94/42/45/733944245.db2.gz GCFWNVLNNDQNJA-UHFFFAOYSA-N -1 1 365.455 2.909 50 0 FFAAMM C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)[n-]2)[C@@H](c2ccncc2)CC(=O)N3)C1 ZINC000822355273 998854111 /nfs/dbraw/zinc/85/41/11/998854111.db2.gz YGIQOWHFFXBHLD-YRGRVCCFSA-N -1 1 353.426 2.534 50 0 FFAAMM CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)[O-] ZINC000687296192 1022427490 /nfs/dbraw/zinc/42/74/90/1022427490.db2.gz VLKLPDXPWJKDCQ-IBGZPJMESA-N -1 1 366.417 2.636 50 0 FFAAMM COc1ccc2nc(CCN(C)C(=O)c3c(C)[nH]c(C(=O)[O-])c3C)[nH]c2c1 ZINC001506407018 1059498697 /nfs/dbraw/zinc/49/86/97/1059498697.db2.gz IFXKBEJEKUUTJP-UHFFFAOYSA-N -1 1 370.409 2.529 50 0 FFAAMM Cc1cc([C@H](C(=O)[O-])N2CCCN(C(=O)c3ccco3)CC2)ccc1F ZINC001506410522 1059501799 /nfs/dbraw/zinc/50/17/99/1059501799.db2.gz LWYVEXCRVWHSRM-QGZVFWFLSA-N -1 1 360.385 2.701 50 0 FFAAMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000001140262 219378803 /nfs/dbraw/zinc/37/88/03/219378803.db2.gz SKFBULTWSMTVQI-UHFFFAOYSA-N -1 1 362.407 2.541 50 0 FFAAMM CC(C)c1ccc(-c2nc3c(N)n(-c4ccccc4)c(=O)nc3c(=O)[n-]2)cc1 ZINC000100945699 209220322 /nfs/dbraw/zinc/22/03/22/209220322.db2.gz DKPVESJUHTWKAH-UHFFFAOYSA-N -1 1 373.416 2.672 50 0 FFAAMM Cc1cc(C(=O)NC[C@@H]2CCCO2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000013681699 220085093 /nfs/dbraw/zinc/08/50/93/220085093.db2.gz VQJDOVWMRVEYMU-INIZCTEOSA-N -1 1 374.462 2.705 50 0 FFAAMM COc1cccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@@H]3C)c1 ZINC000004270457 207009530 /nfs/dbraw/zinc/00/95/30/207009530.db2.gz BAAHYMYZOMUYON-GFCCVEGCSA-N -1 1 372.446 2.892 50 0 FFAAMM O=c1/c(=C\c2ccc([O-])c(Br)c2)sc2nc3ccccc3n12 ZINC000005062137 207077158 /nfs/dbraw/zinc/07/71/58/207077158.db2.gz PMMHHDJSPYEJFK-RIYZIHGNSA-N -1 1 373.231 2.925 50 0 FFAAMM CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000006778790 207163778 /nfs/dbraw/zinc/16/37/78/207163778.db2.gz KSRUTFHFTVAQSM-UHFFFAOYSA-N -1 1 350.421 2.540 50 0 FFAAMM COc1ccc(CNC(=O)Cc2c(C)c3c([O-])cc(C)cc3oc2=O)cc1 ZINC000008491021 207234614 /nfs/dbraw/zinc/23/46/14/207234614.db2.gz ODTQJFJBVBZSOM-UHFFFAOYSA-N -1 1 367.401 2.983 50 0 biogenic FFAAMM O=C(Cc1ccc(Br)cc1)Nn1c(=S)[n-]nc1C1CC1 ZINC000009647681 207279668 /nfs/dbraw/zinc/27/96/68/207279668.db2.gz FWMFHPCQMZJSPK-UHFFFAOYSA-N -1 1 353.245 2.893 50 0 FFAAMM CCc1cccc(CC)c1NC(=O)CCc1c(C)nc2[n-]cnn2c1=O ZINC000012322815 207361243 /nfs/dbraw/zinc/36/12/43/207361243.db2.gz SBWJAYMOROJUJF-UHFFFAOYSA-N -1 1 353.426 2.834 50 0 FFAAMM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccccc32)CC1 ZINC000012408031 207372412 /nfs/dbraw/zinc/37/24/12/207372412.db2.gz WHQISSIWQOMNHC-MRXNPFEDSA-N -1 1 359.426 2.846 50 0 FFAAMM O=C(Nn1c(=O)c2c3c(sc2[n-]c1=S)CCCC3)c1cccnc1 ZINC000017073990 207608515 /nfs/dbraw/zinc/60/85/15/207608515.db2.gz CSYJTWLWFJVGHB-UHFFFAOYSA-N -1 1 358.448 2.778 50 0 FFAAMM CSc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000031555726 208013964 /nfs/dbraw/zinc/01/39/64/208013964.db2.gz RDWPDCAHKAZNRN-UHFFFAOYSA-N -1 1 364.427 2.929 50 0 FFAAMM O=C([O-])c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccncc2)c1 ZINC000040312903 208179415 /nfs/dbraw/zinc/17/94/15/208179415.db2.gz MOEXCQNQTXHNIG-QGZVFWFLSA-N -1 1 363.377 2.683 50 0 biogenic FFAAMM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000057784176 208513539 /nfs/dbraw/zinc/51/35/39/208513539.db2.gz VAEIICXFNDDHFU-UHFFFAOYSA-N -1 1 367.793 2.564 50 0 FFAAMM CC(C)CN(Cc1ccccn1)C(=O)c1cnc(-c2cccnc2)[n-]c1=O ZINC000091943190 209004895 /nfs/dbraw/zinc/00/48/95/209004895.db2.gz VCRCLYBUGGUCEA-UHFFFAOYSA-N -1 1 363.421 2.938 50 0 FFAAMM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1ccccc1C(F)(F)F)CC2 ZINC000095387804 209046570 /nfs/dbraw/zinc/04/65/70/209046570.db2.gz RRMHSHLCHRLIQH-AWEZNQCLSA-N -1 1 370.371 2.603 50 0 FFAAMM O=S(=O)([N-]c1ccccc1N1CCOCC1)c1ccc(F)c(F)c1 ZINC000002635866 132253973 /nfs/dbraw/zinc/25/39/73/132253973.db2.gz KAESQPRNWWBFLB-UHFFFAOYSA-N -1 1 354.378 2.602 50 0 FFAAMM CCOC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000032095518 506229109 /nfs/dbraw/zinc/22/91/09/506229109.db2.gz RBZNDGNLEYHMLW-UHFFFAOYSA-N -1 1 353.371 2.568 50 0 FFAAMM O=C([N-]c1ccccc1F)c1nc(-c2cn(-c3ccc(F)cc3)nn2)no1 ZINC000065236710 506274351 /nfs/dbraw/zinc/27/43/51/506274351.db2.gz HEZTVOYQPUGHNY-UHFFFAOYSA-N -1 1 368.303 2.848 50 0 FFAAMM Cc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)[N-]C2CC2)o1 ZINC000032661579 506274436 /nfs/dbraw/zinc/27/44/36/506274436.db2.gz AJVUZSXEYKEZOD-UHFFFAOYSA-N -1 1 354.815 2.934 50 0 FFAAMM COc1cc2c(cc1[N-]S(C)(=O)=O)[C@H](c1sccc1C)CC(=O)N2 ZINC000065453114 506303497 /nfs/dbraw/zinc/30/34/97/506303497.db2.gz JMYUJICUYOVPFS-LLVKDONJSA-N -1 1 366.464 2.911 50 0 FFAAMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Br)cc2)n1 ZINC000005155016 506425480 /nfs/dbraw/zinc/42/54/80/506425480.db2.gz MVIGYYYWKLGAQK-UHFFFAOYSA-N -1 1 368.256 2.826 50 0 FFAAMM CC(=O)N1CCOc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc21 ZINC000006778721 506505233 /nfs/dbraw/zinc/50/52/33/506505233.db2.gz CSVUJOPWPZWDRV-UHFFFAOYSA-N -1 1 360.435 2.850 50 0 FFAAMM CCCc1cc(=O)[n-]c(SCC(=O)NCc2ccc(Cl)cc2)n1 ZINC000007141194 506538835 /nfs/dbraw/zinc/53/88/35/506538835.db2.gz WINRAWLUVIQPOK-UHFFFAOYSA-N -1 1 351.859 2.784 50 0 FFAAMM CCc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)CC2CCCC2)n1 ZINC000012123981 506820273 /nfs/dbraw/zinc/82/02/73/506820273.db2.gz ZANXYJSCOPBSMX-UHFFFAOYSA-N -1 1 355.442 2.914 50 0 FFAAMM O=C(Cn1nnc(-c2ccc(Br)cc2)n1)c1ccc([O-])cc1 ZINC000012945826 506918618 /nfs/dbraw/zinc/91/86/18/506918618.db2.gz WSGMUEFZWBDVCY-UHFFFAOYSA-N -1 1 359.183 2.691 50 0 FFAAMM Cc1cc(C)cc(S(=O)(=O)[N-]c2cccc([C@H]3NC(=O)CS3)c2)c1 ZINC000013359372 506938768 /nfs/dbraw/zinc/93/87/68/506938768.db2.gz AQFCPEVLWLDUKO-KRWDZBQOSA-N -1 1 362.476 2.966 50 0 FFAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc([C@@H]3NC(=O)CS3)c2)c1 ZINC000013359292 506939558 /nfs/dbraw/zinc/93/95/58/506939558.db2.gz SOLWQOZSOOKOHF-QGZVFWFLSA-N -1 1 362.476 2.966 50 0 FFAAMM CCN1CCn2c3ccc([N-]S(=O)(=O)c4ccccc4)cc3nc2C1 ZINC000013718446 506953785 /nfs/dbraw/zinc/95/37/85/506953785.db2.gz NCTLRWPBAWQQOZ-UHFFFAOYSA-N -1 1 356.451 2.673 50 0 FFAAMM CCCn1nc(C(=O)[O-])c2c1CC[C@@H](N(C)Cc1noc3c1CCCC3)C2 ZINC000067743835 506995354 /nfs/dbraw/zinc/99/53/54/506995354.db2.gz MKDFQCXVKKWYTH-CYBMUJFWSA-N -1 1 372.469 2.847 50 0 FFAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cc1 ZINC000015344370 507034621 /nfs/dbraw/zinc/03/46/21/507034621.db2.gz AODNCBXTNYECPS-UHFFFAOYSA-N -1 1 360.435 2.732 50 0 FFAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000016780650 507107153 /nfs/dbraw/zinc/10/71/53/507107153.db2.gz FMTKSGKSHXSEER-UHFFFAOYSA-N -1 1 373.386 2.771 50 0 FFAAMM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc1 ZINC000017113014 507116865 /nfs/dbraw/zinc/11/68/65/507116865.db2.gz WNIIYFJGZXRTEL-UHFFFAOYSA-N -1 1 373.434 2.577 50 0 FFAAMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(F)c3)cc2n(CC)c1=O ZINC000020215034 507215293 /nfs/dbraw/zinc/21/52/93/507215293.db2.gz GZFTULHNQGITLS-UHFFFAOYSA-N -1 1 363.414 2.783 50 0 FFAAMM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc21 ZINC000021756778 507266655 /nfs/dbraw/zinc/26/66/55/507266655.db2.gz IYLCQXOGBZVHTD-UHFFFAOYSA-N -1 1 374.462 2.721 50 0 FFAAMM O=C(c1cc(Cl)ccc1[O-])N1CCN(CCOc2ccccc2)CC1 ZINC000021925858 507274459 /nfs/dbraw/zinc/27/44/59/507274459.db2.gz DPWFMBDDTAYRPA-UHFFFAOYSA-N -1 1 360.841 2.882 50 0 FFAAMM CNC(=O)c1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000022742014 507304854 /nfs/dbraw/zinc/30/48/54/507304854.db2.gz WUCKXXYTWIQWEI-UHFFFAOYSA-N -1 1 373.463 2.667 50 0 FFAAMM CC[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CCO1 ZINC000023894032 507377610 /nfs/dbraw/zinc/37/76/10/507377610.db2.gz RJZRSDHYDKRNIK-KRWDZBQOSA-N -1 1 374.462 2.738 50 0 FFAAMM Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)[N-]O[C@H]3CCCCO3)C2)c1 ZINC000072058843 507742917 /nfs/dbraw/zinc/74/29/17/507742917.db2.gz QTGSUJMVKQWJTR-WMZOPIPTSA-N -1 1 360.454 2.730 50 0 FFAAMM NC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000029322495 507774207 /nfs/dbraw/zinc/77/42/07/507774207.db2.gz TZOUCAQGGIVHMN-UHFFFAOYSA-N -1 1 370.228 2.741 50 0 FFAAMM CCc1nccc(CN2CCC(Oc3cccc(C)c3)(C(=O)[O-])CC2)n1 ZINC000072479823 507797495 /nfs/dbraw/zinc/79/74/95/507797495.db2.gz QVJROEVUXPGIQJ-UHFFFAOYSA-N -1 1 355.438 2.846 50 0 FFAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)cc1Cl ZINC000064477649 507798633 /nfs/dbraw/zinc/79/86/33/507798633.db2.gz SNKQISUSUZAADJ-UHFFFAOYSA-N -1 1 365.842 2.640 50 0 FFAAMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc4n[nH]cc4c3)ccc2NC1=O ZINC000075110398 508083903 /nfs/dbraw/zinc/08/39/03/508083903.db2.gz ZRQSZRSAEDDRDR-UHFFFAOYSA-N -1 1 356.407 2.593 50 0 FFAAMM CCc1nnc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3C)c[nH]2)o1 ZINC000075428082 508106630 /nfs/dbraw/zinc/10/66/30/508106630.db2.gz MDJYCTKJGQEKNN-UHFFFAOYSA-N -1 1 350.375 2.875 50 0 FFAAMM COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccc([O-])c(Cl)c2)o1 ZINC000096115999 508206793 /nfs/dbraw/zinc/20/67/93/508206793.db2.gz CGUDACBZWHDLAA-NSHDSACASA-N -1 1 368.769 2.546 50 0 biogenic FFAAMM Cc1cccc(-c2ncc(C(=O)N3CCN[C@@H](c4ccccc4)C3)c(=O)[n-]2)c1 ZINC000082145748 508227001 /nfs/dbraw/zinc/22/70/01/508227001.db2.gz PMTOPKXRCFTCNL-LJQANCHMSA-N -1 1 374.444 2.532 50 0 FFAAMM CCc1nc(C)c(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)s1 ZINC000170601378 509676269 /nfs/dbraw/zinc/67/62/69/509676269.db2.gz MBOAMXJHPAJVNW-UHFFFAOYSA-N -1 1 369.450 2.649 50 0 FFAAMM Cc1ccc2nc(SCC(=O)N[C@H]3C[C@H](c4cc(=O)[nH]cn4)C3)[nH]c2c1 ZINC000253535506 509886388 /nfs/dbraw/zinc/88/63/88/509886388.db2.gz XTTITTZCTSICCL-HAQNSBGRSA-N -1 1 369.450 2.521 50 0 FFAAMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC=C(C(F)(F)F)CC1 ZINC000270548376 510904348 /nfs/dbraw/zinc/90/43/48/510904348.db2.gz YMWVKOXWBMMGHQ-UHFFFAOYSA-N -1 1 368.359 2.705 50 0 FFAAMM O=C([O-])CCN1CCN(C(=O)c2ccccc2-c2ccc(F)cc2)CC1 ZINC000299773148 511675541 /nfs/dbraw/zinc/67/55/41/511675541.db2.gz BMKBOFRFCGUAPP-UHFFFAOYSA-N -1 1 356.397 2.725 50 0 FFAAMM O=C(NC[C@@H]1CCN(c2cccc(Cl)c2)C1)c1cnc(C2CC2)[n-]c1=O ZINC000534652361 517982096 /nfs/dbraw/zinc/98/20/96/517982096.db2.gz CUNQHDNZAFZVTJ-LBPRGKRZSA-N -1 1 372.856 2.969 50 0 FFAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCOCC2)cc1 ZINC000006316307 534876531 /nfs/dbraw/zinc/87/65/31/534876531.db2.gz XBCAIDXRSQSZSN-UHFFFAOYSA-N -1 1 360.435 2.527 50 0 FFAAMM CNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000045962111 570917469 /nfs/dbraw/zinc/91/74/69/570917469.db2.gz HTEVCHWHUTXRDK-UHFFFAOYSA-N -1 1 366.345 2.914 50 0 FFAAMM COc1ccc(Cc2[n-][nH]c(=O)c2[C@@H](CC(N)=O)c2ccccc2)cc1 ZINC000252493135 571319682 /nfs/dbraw/zinc/31/96/82/571319682.db2.gz MZWWOVZCAYFEHI-INIZCTEOSA-N -1 1 351.406 2.722 50 0 FFAAMM O=C([O-])c1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)cc1 ZINC001506400049 1059492407 /nfs/dbraw/zinc/49/24/07/1059492407.db2.gz HDUYQVVGXXRFGV-KRWDZBQOSA-N -1 1 369.421 2.877 50 0 FFAAMM O=C([O-])c1ccc(NC(=O)N[C@H]2CCCN(Cc3cccc(O)c3)C2)cc1 ZINC001506400049 1059492417 /nfs/dbraw/zinc/49/24/17/1059492417.db2.gz HDUYQVVGXXRFGV-KRWDZBQOSA-N -1 1 369.421 2.877 50 0 FFAAMM Cc1cccc(-c2cccc(C(=O)N[C@H](C)c3nc(CC(=O)[O-])n[nH]3)c2)c1 ZINC001506408812 1059501368 /nfs/dbraw/zinc/50/13/68/1059501368.db2.gz QHIQTROUWSWUTP-CYBMUJFWSA-N -1 1 364.405 2.898 50 0 FFAAMM Cc1cccc(-c2cccc(C(=O)N[C@H](C)c3nnc(CC(=O)[O-])[nH]3)c2)c1 ZINC001506408812 1059501383 /nfs/dbraw/zinc/50/13/83/1059501383.db2.gz QHIQTROUWSWUTP-CYBMUJFWSA-N -1 1 364.405 2.898 50 0 FFAAMM O=C(Nc1nncs1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000047156096 209327869 /nfs/dbraw/zinc/32/78/69/209327869.db2.gz QGCXUWAXFMGRMV-UHFFFAOYSA-N -1 1 360.420 2.591 50 0 FFAAMM Cc1cccc(O[C@@H](C)C(=O)Nn2c(=O)c3ccccc3[n-]c2=S)c1 ZINC000102228977 209233593 /nfs/dbraw/zinc/23/35/93/209233593.db2.gz PUURCCGRYUFDLG-LBPRGKRZSA-N -1 1 355.419 2.531 50 0 FFAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1Cc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000101361545 209224728 /nfs/dbraw/zinc/22/47/28/209224728.db2.gz IXVLXYDEWZLQMN-UHFFFAOYSA-N -1 1 360.417 2.852 50 0 FFAAMM CCOc1ccc(NC(=O)[C@@H](Cc2cccc(OC)c2)c2nn[n-]n2)cc1 ZINC000005444530 207100942 /nfs/dbraw/zinc/10/09/42/207100942.db2.gz VSCXAMVUCTZLEB-KRWDZBQOSA-N -1 1 367.409 2.572 50 0 FFAAMM CCc1ccccc1NC(=O)[C@H](Cc1cccc(OC)c1)c1nn[n-]n1 ZINC000005445040 207101167 /nfs/dbraw/zinc/10/11/67/207101167.db2.gz XYRHJEZNDGYKCK-MRXNPFEDSA-N -1 1 351.410 2.736 50 0 FFAAMM 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Cc1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2C(=O)[O-])c(-c2ccccc2)o1 ZINC000095387004 209044870 /nfs/dbraw/zinc/04/48/70/209044870.db2.gz PQNCINHJDVPKQX-MRXNPFEDSA-N -1 1 351.362 2.802 50 0 FFAAMM O=C(N=C([O-])Nc1ccc(I)cc1)C(F)(F)F ZINC000000646534 506226514 /nfs/dbraw/zinc/22/65/14/506226514.db2.gz SBRVDRBRKYBORK-UHFFFAOYSA-N -1 1 358.057 2.502 50 0 FFAAMM O=C([N-]C(=O)C(F)(F)F)Nc1ccc(I)cc1 ZINC000000646534 506226520 /nfs/dbraw/zinc/22/65/20/506226520.db2.gz SBRVDRBRKYBORK-UHFFFAOYSA-N -1 1 358.057 2.502 50 0 FFAAMM CCOc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1O ZINC000004027327 506355374 /nfs/dbraw/zinc/35/53/74/506355374.db2.gz RFWQOKDGSGXSCY-QAPCUYQASA-N -1 1 352.390 2.961 50 0 biogenic FFAAMM CC(C)COc1ccc(Br)cc1/C=C1\NC(=S)[N-]C1=O ZINC000004093704 506358793 /nfs/dbraw/zinc/35/87/93/506358793.db2.gz OQEJCYKPOKRAHR-WDZFZDKYSA-N -1 1 355.257 2.829 50 0 FFAAMM COC(=O)[N-]C(=O)c1c(C)c(C)sc1NC(=O)COc1ccccc1 ZINC000005145084 506424764 /nfs/dbraw/zinc/42/47/64/506424764.db2.gz 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ZINC000057125399 507178880 /nfs/dbraw/zinc/17/88/80/507178880.db2.gz LGLQUYCKJROGCI-UHFFFAOYSA-N -1 1 350.396 2.704 50 0 FFAAMM CN(C)C(=O)COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000026549019 507597281 /nfs/dbraw/zinc/59/72/81/507597281.db2.gz BEGDSQXHMDDKHR-UHFFFAOYSA-N -1 1 368.842 2.608 50 0 FFAAMM Cc1cc(C)c(C)c2occ(CC(=O)N3CCc4nc[nH]c4[C@H]3C(=O)[O-])c21 ZINC000072428283 507789406 /nfs/dbraw/zinc/78/94/06/507789406.db2.gz BGNQWBJQVFVSPK-SFHVURJKSA-N -1 1 367.405 2.834 50 0 FFAAMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCC2=CCCCC2)o1 ZINC000031604041 507820694 /nfs/dbraw/zinc/82/06/94/507820694.db2.gz RUDZGACIAKMSPY-UHFFFAOYSA-N -1 1 354.472 2.977 50 0 FFAAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCC(=O)N(C)C ZINC000096662795 508215369 /nfs/dbraw/zinc/21/53/69/508215369.db2.gz PGHUCUPETQLVNY-MDWZMJQESA-N -1 1 366.464 2.881 50 0 FFAAMM Cc1nc2[n-]c(N(Cc3cccs3)C(=O)CC(C)C)nn2c(=O)c1C ZINC000101809491 508258034 /nfs/dbraw/zinc/25/80/34/508258034.db2.gz JADNGBQEFUZIGD-UHFFFAOYSA-N -1 1 359.455 2.675 50 0 FFAAMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)o1 ZINC000162865022 509313031 /nfs/dbraw/zinc/31/30/31/509313031.db2.gz SOAQTDIRBQMSJF-DNVCBOLYSA-N -1 1 374.462 2.729 50 0 FFAAMM Cc1cc(=O)[n-]c(NN=Cc2cn(CCC#N)nc2-c2ccc(F)cc2)n1 ZINC000254789376 509910331 /nfs/dbraw/zinc/91/03/31/509910331.db2.gz PDFOPESNRKUFAG-UHFFFAOYSA-N -1 1 365.372 2.853 50 0 FFAAMM O=C([O-])[C@H](CNC(=O)[C@H]1CCCN1Cc1ccccc1)Cc1ccccc1 ZINC000271888413 511359898 /nfs/dbraw/zinc/35/98/98/511359898.db2.gz BOWUHGKUVUOJLF-VQTJNVASSA-N -1 1 366.461 2.711 50 0 FFAAMM CCn1ncnc1CN1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)[O-])C1 ZINC000299783181 511679150 /nfs/dbraw/zinc/67/91/50/511679150.db2.gz FJNLBULLPPAVPR-ZWOKBUDYSA-N -1 1 354.454 2.769 50 0 FFAAMM COC(=O)C[C@H](c1ccc(SC)cc1)c1c([O-])nc2ccccn2c1=O ZINC000205970334 570550526 /nfs/dbraw/zinc/55/05/26/570550526.db2.gz FMRCEKRNMWPNJV-CQSZACIVSA-N -1 1 370.430 2.817 50 0 FFAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(C)cc1)CC(=O)N2 ZINC000046074020 570924287 /nfs/dbraw/zinc/92/42/87/570924287.db2.gz NPPFNPXDHCOANU-LBPRGKRZSA-N -1 1 372.450 2.645 50 0 FFAAMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CC(=O)N[C@H](C)c1cccs1 ZINC000048223302 570937142 /nfs/dbraw/zinc/93/71/42/570937142.db2.gz PMRRCLKOJQQSFB-GFCCVEGCSA-N -1 1 354.435 2.622 50 0 FFAAMM COCCOc1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)ccc1OC ZINC000048333681 570947183 /nfs/dbraw/zinc/94/71/83/570947183.db2.gz NMRGLYNIHQOEPV-UHFFFAOYSA-N -1 1 369.414 2.969 50 0 FFAAMM CSc1nc(C)c(CCC(=O)OCc2ccnc(Cl)c2)c(=O)[n-]1 ZINC000078495117 571141614 /nfs/dbraw/zinc/14/16/14/571141614.db2.gz RUIVVMBENBOXMI-UHFFFAOYSA-N -1 1 353.831 2.525 50 0 FFAAMM NC(=O)C[C@@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1ccc(F)c(F)c1 ZINC000252492502 571319728 /nfs/dbraw/zinc/31/97/28/571319728.db2.gz MOABVBPJOQPDHE-CYBMUJFWSA-N -1 1 357.360 2.992 50 0 FFAAMM Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC(=O)[O-])C1 ZINC000082134702 845597572 /nfs/dbraw/zinc/59/75/72/845597572.db2.gz XHJNEIYFXKREER-ZDUSSCGKSA-N -1 1 363.845 2.917 50 0 FFAAMM Cn1ccnc1[C@H]1CCCN(Cc2cc(Cl)ccc2OCC(=O)[O-])C1 ZINC000082134702 845597580 /nfs/dbraw/zinc/59/75/80/845597580.db2.gz XHJNEIYFXKREER-ZDUSSCGKSA-N -1 1 363.845 2.917 50 0 FFAAMM Cc1ccc(-c2nc(CC(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)cs2)o1 ZINC000670383963 1028247999 /nfs/dbraw/zinc/24/79/99/1028247999.db2.gz VUJQCIZHYGWMED-NSHDSACASA-N -1 1 374.422 2.749 50 0 FFAAMM COc1ccc(-c2nc(N)ncc2-c2ccc3c(c2)OCCO3)c([O-])c1 ZINC000000753986 219317910 /nfs/dbraw/zinc/31/79/10/219317910.db2.gz LHDQPGHKAKQRCT-UHFFFAOYSA-N -1 1 351.362 2.878 50 0 biogenic FFAAMM CSc1cccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000058391570 212008274 /nfs/dbraw/zinc/00/82/74/212008274.db2.gz SLOSYAMTLXYATQ-UHFFFAOYSA-N -1 1 353.421 2.922 50 0 FFAAMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000013339940 220065074 /nfs/dbraw/zinc/06/50/74/220065074.db2.gz ATZRXYDSLQYRJP-UHFFFAOYSA-N -1 1 355.755 2.568 50 0 FFAAMM Nc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2-c2ccccc2)n1 ZINC000018068820 220223448 /nfs/dbraw/zinc/22/34/48/220223448.db2.gz XJFAABYZNLUXAZ-UHFFFAOYSA-N -1 1 352.419 2.750 50 0 FFAAMM Cc1c([N-]S(=O)(=O)Cc2ccccc2C)c(=O)n(-c2ccccc2)n1C ZINC000016577636 211163365 /nfs/dbraw/zinc/16/33/65/211163365.db2.gz GILYFCDNSVWULH-UHFFFAOYSA-N -1 1 371.462 2.735 50 0 FFAAMM Cc1c([N-]S(=O)(=O)Cc2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000016579476 211163215 /nfs/dbraw/zinc/16/32/15/211163215.db2.gz FJEVTCCHXXSOCL-UHFFFAOYSA-N -1 1 371.462 2.735 50 0 FFAAMM O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc(Cl)ccc1[O-] ZINC000013002765 211019120 /nfs/dbraw/zinc/01/91/20/211019120.db2.gz LKVMXQCKFWQIDX-UHFFFAOYSA-N -1 1 360.841 2.808 50 0 FFAAMM CC(C)(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000001147713 210325757 /nfs/dbraw/zinc/32/57/57/210325757.db2.gz CAYDCOIZLMTNOB-UHFFFAOYSA-N -1 1 368.480 2.564 50 0 FFAAMM O=C(Cc1cn2ccsc2n1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000058427243 221119236 /nfs/dbraw/zinc/11/92/36/221119236.db2.gz DFJWOFMXKBBKFZ-UHFFFAOYSA-N -1 1 369.446 2.765 50 0 FFAAMM CCCn1nc(C(=O)[O-])c2c1CC[C@@H](N(C)Cc1nc3ccccc3[nH]1)C2 ZINC000067740940 221278971 /nfs/dbraw/zinc/27/89/71/221278971.db2.gz WDCLNYUUOCDHMY-CYBMUJFWSA-N -1 1 367.453 2.857 50 0 FFAAMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000331253865 258180697 /nfs/dbraw/zinc/18/06/97/258180697.db2.gz SBWUVECKIJTCDT-VXGBXAGGSA-N -1 1 354.397 2.827 50 0 FFAAMM COCCN1c2ccc([N-]S(=O)(=O)c3ccccc3C)cc2CCC1=O ZINC000096399793 132225117 /nfs/dbraw/zinc/22/51/17/132225117.db2.gz QVDRDDKRXABPJN-UHFFFAOYSA-N -1 1 374.462 2.721 50 0 FFAAMM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)c1 ZINC000097393656 222178919 /nfs/dbraw/zinc/17/89/19/222178919.db2.gz STRFGKZBTSKVQG-UHFFFAOYSA-N -1 1 361.354 2.510 50 0 FFAAMM COC(=O)C1=C(C)Nc2nc(SC)[n-]c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000100821676 222253662 /nfs/dbraw/zinc/25/36/62/222253662.db2.gz ALIUOMZWLHSXSX-GFCCVEGCSA-N -1 1 361.398 2.635 50 0 FFAAMM CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cnc21 ZINC000032097981 506231716 /nfs/dbraw/zinc/23/17/16/506231716.db2.gz UBPWWNQMKBGJEY-UHFFFAOYSA-N -1 1 374.422 2.584 50 0 FFAAMM CCCc1cc(=O)[n-]c(SCC(=O)c2ccc3c(c2)CCCC(=O)N3)n1 ZINC000032322888 506241537 /nfs/dbraw/zinc/24/15/37/506241537.db2.gz WVRKQDZPZOUPNW-UHFFFAOYSA-N -1 1 371.462 2.972 50 0 FFAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc(=O)n3C(C)C)cc1 ZINC000032958468 506318531 /nfs/dbraw/zinc/31/85/31/506318531.db2.gz WNHJKCMRIXGRHV-UHFFFAOYSA-N -1 1 362.407 2.985 50 0 FFAAMM Cc1nc(SCC(=O)Nc2oncc2-c2ccccc2)[n-]c(=O)c1C ZINC000032984863 506321277 /nfs/dbraw/zinc/32/12/77/506321277.db2.gz HTWVLHZTFVIPJZ-UHFFFAOYSA-N -1 1 356.407 2.773 50 0 FFAAMM Cc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)o1 ZINC000004111878 506358698 /nfs/dbraw/zinc/35/86/98/506358698.db2.gz BXZOMEVXBOXWEF-WWGRRREGSA-N -1 1 368.311 2.692 50 0 FFAAMM CCc1ccccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000005153546 506425722 /nfs/dbraw/zinc/42/57/22/506425722.db2.gz UMIIJKSCLYBXKW-UHFFFAOYSA-N -1 1 356.447 2.885 50 0 FFAAMM 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Cc1cc2nc(CN3CCC[C@@H](COc4ccccc4F)C3)cc(=O)n2[n-]1 ZINC000334159691 210156311 /nfs/dbraw/zinc/15/63/11/210156311.db2.gz NBDAUNGMNZVLJT-OAHLLOKOSA-N -1 1 370.428 2.761 50 0 FFAAMM O=C([N-]c1nc(SCc2ccccc2Cl)ns1)c1nc[nH]n1 ZINC000006258620 210085707 /nfs/dbraw/zinc/08/57/07/210085707.db2.gz JIGOMOUWUYQUDJ-UHFFFAOYSA-N -1 1 352.832 2.854 50 0 FFAAMM COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000001209308 219390303 /nfs/dbraw/zinc/39/03/03/219390303.db2.gz ZAGBLWFOJRQMDE-MHWRWJLKSA-N -1 1 352.390 2.782 50 0 FFAAMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000005155025 219655898 /nfs/dbraw/zinc/65/58/98/219655898.db2.gz SOALTIBYSIQIFL-UHFFFAOYSA-N -1 1 373.356 2.962 50 0 FFAAMM COc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(OC)cc1C ZINC000032601599 211551038 /nfs/dbraw/zinc/55/10/38/211551038.db2.gz YAGHPFJSMMVVQS-UHFFFAOYSA-N -1 1 351.380 2.511 50 0 FFAAMM C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cc(F)cc(F)c2)C1=O ZINC000023944789 211398417 /nfs/dbraw/zinc/39/84/17/211398417.db2.gz 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221159829 /nfs/dbraw/zinc/15/98/29/221159829.db2.gz OWQFWRDZMXDUPU-UHFFFAOYSA-N -1 1 359.451 2.603 50 0 FFAAMM COc1ccc(OC)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000065844513 221237398 /nfs/dbraw/zinc/23/73/98/221237398.db2.gz LVQLQCNHORROEN-UHFFFAOYSA-N -1 1 351.380 2.511 50 0 FFAAMM CN1CCN(c2nc(Nc3ccc(C(=O)[O-])cc3)nc3ccccc32)CC1 ZINC000041152493 136120899 /nfs/dbraw/zinc/12/08/99/136120899.db2.gz DKIATOOLTRMHHX-UHFFFAOYSA-N -1 1 363.421 2.823 50 0 FFAAMM Cc1cccc(Cc2cnc(NC(=O)C=C3SC(=O)[N-]C3=O)s2)c1 ZINC000097574777 222194036 /nfs/dbraw/zinc/19/40/36/222194036.db2.gz QAZSXRIDOXYPMS-KPKJPENVSA-N -1 1 359.432 2.848 50 0 FFAAMM O=C(CSc1nc(=O)cc([O-])n1-c1ccccc1)Nc1ccccc1 ZINC000102650768 222302338 /nfs/dbraw/zinc/30/23/38/222302338.db2.gz MADUNJZOPRJMRG-UHFFFAOYSA-N -1 1 353.403 2.669 50 0 FFAAMM COc1ccc(N[C@@H](C)C(=O)Nc2ccccc2)cc1[N-]S(C)(=O)=O ZINC000032771533 506293440 /nfs/dbraw/zinc/29/34/40/506293440.db2.gz XBLCSTNQWTYDCQ-LBPRGKRZSA-N -1 1 363.439 2.506 50 0 FFAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1Br ZINC000003326933 506322566 /nfs/dbraw/zinc/32/25/66/506322566.db2.gz QXXIHELOELRFAO-UHFFFAOYSA-N -1 1 358.213 2.964 50 0 FFAAMM CCOc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1O ZINC000004027326 506355499 /nfs/dbraw/zinc/35/54/99/506355499.db2.gz RFWQOKDGSGXSCY-CRAIPNDOSA-N -1 1 352.390 2.961 50 0 biogenic FFAAMM CN(CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1)c1ccccn1 ZINC000034230071 506366324 /nfs/dbraw/zinc/36/63/24/506366324.db2.gz HCDYSWMAMRPMST-NTCAYCPXSA-N -1 1 355.419 2.921 50 0 in-vitro FFAAMM COc1ccc(-c2cc3ccc(OCc4nn[n-]n4)cc3oc2=O)cc1 ZINC000004282624 506367863 /nfs/dbraw/zinc/36/78/63/506367863.db2.gz IVRLAVIATUXSQY-UHFFFAOYSA-N -1 1 350.334 2.561 50 0 FFAAMM O=c1[nH]nc(SCc2cc(=O)oc3cc([O-])ccc23)n1-c1ccccc1 ZINC000004394884 506374430 /nfs/dbraw/zinc/37/44/30/506374430.db2.gz CZBQZSOJQDALKS-UHFFFAOYSA-N -1 1 367.386 2.665 50 0 FFAAMM CCc1ccccc1NC(=O)[C@H](Cc1ccccc1OC)c1nn[n-]n1 ZINC000004674815 506385683 /nfs/dbraw/zinc/38/56/83/506385683.db2.gz BHYOGFLJEUUBFA-OAHLLOKOSA-N -1 1 351.410 2.736 50 0 FFAAMM Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000004809478 506395627 /nfs/dbraw/zinc/39/56/27/506395627.db2.gz UBIXGNPNIBETIR-QGZVFWFLSA-N -1 1 374.462 2.705 50 0 FFAAMM CCc1c(C)nc(SCC(=O)NCc2ccccc2Cl)[n-]c1=O ZINC000005155397 506426162 /nfs/dbraw/zinc/42/61/62/506426162.db2.gz FIUIWZVPUTZSQN-UHFFFAOYSA-N -1 1 351.859 2.703 50 0 FFAAMM O=c1cc(-c2ccc(Cl)cc2)[n-]n(-c2ncnc3ccccc32)c1=O ZINC000005262148 506432402 /nfs/dbraw/zinc/43/24/02/506432402.db2.gz BGEATYCYFAFVKR-UHFFFAOYSA-N -1 1 350.765 2.993 50 0 FFAAMM CCC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(N3CCCC3)nc2)c1 ZINC000053793664 506443714 /nfs/dbraw/zinc/44/37/14/506443714.db2.gz YSEUCBRTGCZWGB-UHFFFAOYSA-N -1 1 354.410 2.988 50 0 FFAAMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000007053978 506528985 /nfs/dbraw/zinc/52/89/85/506528985.db2.gz KWUYEDVQRKQTLC-UHFFFAOYSA-N -1 1 362.407 2.607 50 0 FFAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(F)c(F)c2)[n-]c1=O ZINC000007421887 506561086 /nfs/dbraw/zinc/56/10/86/506561086.db2.gz NNFXRZFZUTZKCH-UHFFFAOYSA-N -1 1 373.363 2.665 50 0 FFAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccc(F)cc2)n1 ZINC000007420254 506562078 /nfs/dbraw/zinc/56/20/78/506562078.db2.gz IPMXTTJIJNRBHT-UHFFFAOYSA-N -1 1 355.373 2.608 50 0 FFAAMM Cc1ccc(-c2nc3nc(=O)cc(NC(=O)c4cccs4)n3[n-]2)cc1 ZINC000009317835 506688967 /nfs/dbraw/zinc/68/89/67/506688967.db2.gz IPPPNPFXUKJAHV-UHFFFAOYSA-N -1 1 351.391 2.707 50 0 FFAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C2CCCCC2)c1 ZINC000009316208 506689718 /nfs/dbraw/zinc/68/97/18/506689718.db2.gz BWQSJPKBUNNFKE-UHFFFAOYSA-N -1 1 354.472 2.942 50 0 FFAAMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C(N)=O)c1 ZINC000009647677 506707219 /nfs/dbraw/zinc/70/72/19/506707219.db2.gz NCFJTXUSWFXVGO-UHFFFAOYSA-N -1 1 369.240 2.657 50 0 FFAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC=CCC2)c1 ZINC000010029963 506722679 /nfs/dbraw/zinc/72/26/79/506722679.db2.gz 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COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)cc1C ZINC000079108508 507933702 /nfs/dbraw/zinc/93/37/02/507933702.db2.gz JUXWUCXUYQICDT-UHFFFAOYSA-N -1 1 351.428 2.504 50 0 FFAAMM O=C(NCc1nc2ccccc2o1)c1cnc(-c2cccs2)[n-]c1=O ZINC000091988358 508030140 /nfs/dbraw/zinc/03/01/40/508030140.db2.gz WGGVBQAZJLFTLG-UHFFFAOYSA-N -1 1 352.375 2.982 50 0 FFAAMM CN(CCCNC(=O)c1cnc(-c2ccccn2)[n-]c1=O)c1ccccc1 ZINC000092062047 508038552 /nfs/dbraw/zinc/03/85/52/508038552.db2.gz JDLMRQWAOYVNQC-UHFFFAOYSA-N -1 1 363.421 2.501 50 0 FFAAMM COc1ccc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)cc1C(=O)[O-] ZINC000095368077 508177753 /nfs/dbraw/zinc/17/77/53/508177753.db2.gz JNJHTSUEMZZMGR-DLBZAZTESA-N -1 1 372.465 2.616 50 0 FFAAMM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000095432772 508184890 /nfs/dbraw/zinc/18/48/90/508184890.db2.gz BOFLRDAYHMWEKU-KBPBESRZSA-N -1 1 357.458 2.671 50 0 FFAAMM COc1ccc([C@H](C(=O)[O-])N2CCC(Oc3cccnc3)CC2)cc1F ZINC000095517922 508193804 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Cc1nc(-c2ncc(C(=O)N(C)CCC[C@H]3CCCO3)c(=O)[n-]2)cs1 ZINC000091551735 526625115 /nfs/dbraw/zinc/62/51/15/526625115.db2.gz CHGVOOZTSBUIBU-LBPRGKRZSA-N -1 1 362.455 2.645 50 0 FFAAMM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)co1 ZINC000162869285 728949960 /nfs/dbraw/zinc/94/99/60/728949960.db2.gz LVDIUIBZKFLNHV-UHFFFAOYSA-N -1 1 368.842 2.646 50 0 FFAAMM COC(=O)CCCCC(=O)C1=C([O-])[C@@H](c2cc(C)no2)C(C)(C)CC1=O ZINC000105304174 975849143 /nfs/dbraw/zinc/84/91/43/975849143.db2.gz UYYRYVLWZLNLTI-IAGOWNOFSA-N -1 1 363.410 2.553 50 0 FFAAMM COC(=O)CCCCC(=O)C1=C([O-])CC(C)(C)[C@H](c2cc(C)no2)C1=O ZINC000105304174 975849158 /nfs/dbraw/zinc/84/91/58/975849158.db2.gz UYYRYVLWZLNLTI-IAGOWNOFSA-N -1 1 363.410 2.553 50 0 FFAAMM COc1ccc(-c2cc(=O)oc(-c3cccc([N+](=O)[O-])c3[O-])n2)cc1OC ZINC000033838114 985733733 /nfs/dbraw/zinc/73/37/33/985733733.db2.gz SVEOQDYASRGJDY-UHFFFAOYSA-N -1 1 370.317 3.000 50 0 FFAAMM Cc1cc([C@@H](C(=O)[O-])[N@H+]2CCCN(C(=O)c3ccoc3)CC2)ccc1F ZINC001506400490 1059491112 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/nfs/dbraw/zinc/69/69/38/506696938.db2.gz OQHBWCSZIAZJEK-AWEZNQCLSA-N -1 1 367.409 2.572 50 0 FFAAMM CCc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)n(C)c(=O)n3C)cc1 ZINC000009526593 506701370 /nfs/dbraw/zinc/70/13/70/506701370.db2.gz QYOSVLFVQJCFJB-UHFFFAOYSA-N -1 1 359.451 2.549 50 0 FFAAMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)NC(=O)Nc2ccccc2)n1 ZINC000011438176 506776280 /nfs/dbraw/zinc/77/62/80/506776280.db2.gz RLZFUWOBJOLELV-LLVKDONJSA-N -1 1 360.439 2.551 50 0 FFAAMM COc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CCC3)cc1Cl ZINC000011902833 506802054 /nfs/dbraw/zinc/80/20/54/506802054.db2.gz XTPCWHIATGKCPY-UHFFFAOYSA-N -1 1 365.842 2.651 50 0 FFAAMM CCOC(=O)Nc1cc(-c2ccco2)nn1-c1nc(C(C)C)cc(=O)[n-]1 ZINC000012008036 506808988 /nfs/dbraw/zinc/80/89/88/506808988.db2.gz SKKJKLDJSPYSIH-UHFFFAOYSA-N -1 1 357.370 2.907 50 0 FFAAMM CCC(CC)C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[n-]1)CCC2 ZINC000012129243 506819732 /nfs/dbraw/zinc/81/97/32/506819732.db2.gz GTXRKCFEDSRGDI-UHFFFAOYSA-N -1 1 355.442 2.696 50 0 FFAAMM O=C(Nc1nncs1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000012741081 506894308 /nfs/dbraw/zinc/89/43/08/506894308.db2.gz GBVFIPNISYVBLM-UHFFFAOYSA-N -1 1 360.420 2.591 50 0 FFAAMM CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000012748198 506895442 /nfs/dbraw/zinc/89/54/42/506895442.db2.gz JSOVZPHEKZHUAH-UHFFFAOYSA-N -1 1 352.387 2.568 50 0 FFAAMM CCCc1cc(=O)[n-]c(SCc2csc(N(CC)C(C)=O)n2)n1 ZINC000023943273 507379905 /nfs/dbraw/zinc/37/99/05/507379905.db2.gz DIOZFOPRDONEDY-UHFFFAOYSA-N -1 1 352.485 2.844 50 0 FFAAMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000048356324 507506789 /nfs/dbraw/zinc/50/67/89/507506789.db2.gz VRWCRWZNQAWZIO-UHFFFAOYSA-N -1 1 360.435 2.562 50 0 FFAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(N)=O)C2)nc3=O)cc1 ZINC000049421235 507621625 /nfs/dbraw/zinc/62/16/25/507621625.db2.gz RRQJTKYGQBUMLY-CYBMUJFWSA-N -1 1 368.462 2.662 50 0 FFAAMM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc2ccccc2c1 ZINC000079475650 507966158 /nfs/dbraw/zinc/96/61/58/507966158.db2.gz LIPKLDOMPRPSHQ-UHFFFAOYSA-N -1 1 351.391 2.616 50 0 FFAAMM CCn1nc(C)c([C@@H](C)NC(=O)c2cnc(-c3cccnc3)[n-]c2=O)c1C ZINC000092045707 508036911 /nfs/dbraw/zinc/03/69/11/508036911.db2.gz KQTQKSDPPZWVAF-LLVKDONJSA-N -1 1 366.425 2.568 50 0 FFAAMM Cc1cc2c(cc1C)O[C@H](C(=O)NCCn1c(=S)[n-]nc1C(C)C)C2 ZINC000075398537 508105333 /nfs/dbraw/zinc/10/53/33/508105333.db2.gz AJSDVWNVBJTKOE-HNNXBMFYSA-N -1 1 360.483 2.801 50 0 FFAAMM COc1ccc(C(c2c([O-])cc(C)oc2=O)c2c(O)cc(C)oc2=O)cc1 ZINC000095618288 508197711 /nfs/dbraw/zinc/19/77/11/508197711.db2.gz SKBKYSWCKDUCNN-UHFFFAOYSA-N -1 1 370.357 2.810 50 0 biogenic FFAAMM COc1ccc(C[N@@H+](C)C[C@@H]2Cc3ccccc3CN2C)cc1C(=O)[O-] ZINC000216038614 509256409 /nfs/dbraw/zinc/25/64/09/509256409.db2.gz KPBSKCSLYQAUCI-SFHVURJKSA-N -1 1 354.450 2.882 50 0 FFAAMM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CCCN1C1CCCC1 ZINC000170609458 509679242 /nfs/dbraw/zinc/67/92/42/509679242.db2.gz NXKKUYSWESKCNN-AWEZNQCLSA-N -1 1 374.865 2.691 50 0 FFAAMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)OC)c2)[nH]n1 ZINC000079106629 520675558 /nfs/dbraw/zinc/67/55/58/520675558.db2.gz YYCXEQAFGXLOSI-SNVBAGLBSA-N -1 1 367.427 2.606 50 0 FFAAMM CN(Cc1nc2ccccc2n1C)C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC000091319784 523566628 /nfs/dbraw/zinc/56/66/28/523566628.db2.gz QJBAETLMFUBVGA-UHFFFAOYSA-N -1 1 373.416 2.596 50 0 FFAAMM Cc1ccnc(C[C@H](C)N(C)C(=O)c2cnc(-c3ccccn3)[n-]c2=O)c1 ZINC000091625205 525660029 /nfs/dbraw/zinc/66/00/29/525660029.db2.gz HGANGKBRYCAXBV-AWEZNQCLSA-N -1 1 363.421 2.651 50 0 FFAAMM Cc1nc(-c2ncc(C(=O)N(C)CCC[C@@H]3CCCO3)c(=O)[n-]2)cs1 ZINC000091551733 526625198 /nfs/dbraw/zinc/62/51/98/526625198.db2.gz CHGVOOZTSBUIBU-GFCCVEGCSA-N -1 1 362.455 2.645 50 0 FFAAMM O=S(=O)([N-]C[C@H](CCO)c1ccccc1)c1cc(F)c(F)cc1F ZINC000084522397 527225229 /nfs/dbraw/zinc/22/52/29/527225229.db2.gz DJKIBQQODIWXKV-LBPRGKRZSA-N -1 1 359.369 2.548 50 0 FFAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(C)cc3)C(C)=O)nn2c1=O ZINC000101861423 570824659 /nfs/dbraw/zinc/82/46/59/570824659.db2.gz FYBHZORPMUZYSF-UHFFFAOYSA-N -1 1 367.453 2.930 50 0 FFAAMM CCOC(=O)C1=C(C)Nc2nc(SC)[n-]c(=O)c2[C@H]1c1ccc(O)cc1 ZINC000044973730 570904263 /nfs/dbraw/zinc/90/42/63/570904263.db2.gz PIADSFCPFSZUIK-ZDUSSCGKSA-N -1 1 373.434 2.592 50 0 FFAAMM CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(CC)cc1)CC(=O)N2 ZINC000046073930 570923709 /nfs/dbraw/zinc/92/37/09/570923709.db2.gz HADXFXKBHODXQH-GFCCVEGCSA-N -1 1 372.450 2.509 50 0 FFAAMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1C ZINC000048369035 570953417 /nfs/dbraw/zinc/95/34/17/570953417.db2.gz INVSNGGKLDECCL-UHFFFAOYSA-N -1 1 353.371 2.571 50 0 FFAAMM CC(C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N)cc2O)cc1 ZINC000000640474 210255005 /nfs/dbraw/zinc/25/50/05/210255005.db2.gz CBWPJFQAZQPHDM-UHFFFAOYSA-N -1 1 363.439 2.760 50 0 FFAAMM CCOc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1O ZINC000002145069 210226139 /nfs/dbraw/zinc/22/61/39/210226139.db2.gz RFWQOKDGSGXSCY-MAUKXSAKSA-N -1 1 352.390 2.961 50 0 biogenic 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Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000015954409 507066422 /nfs/dbraw/zinc/06/64/22/507066422.db2.gz JITJFYFUAISNMH-SZNDQCEHSA-N -1 1 371.433 2.503 50 0 biogenic FFAAMM C[C@@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cc(F)cc(F)c2)C1=O ZINC000023944786 507379614 /nfs/dbraw/zinc/37/96/14/507379614.db2.gz WMPIFXDNXTZDOP-IBGZPJMESA-N -1 1 373.359 2.553 50 0 FFAAMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c2n[nH]cc21 ZINC000063635296 507753236 /nfs/dbraw/zinc/75/32/36/507753236.db2.gz XMVPCQIWBKEALU-UHFFFAOYSA-N -1 1 359.407 2.987 50 0 FFAAMM O=C(c1cc2ccccc2[nH]1)N1CCc2c(=O)[n-]c(-c3ccncc3)nc2C1 ZINC000072143563 507756091 /nfs/dbraw/zinc/75/60/91/507756091.db2.gz VKUQUJPHGJGPIR-UHFFFAOYSA-N -1 1 371.400 2.512 50 0 FFAAMM O=S(=O)([N-]c1cccc(Cn2cccn2)c1)c1ccc2c(c1)OCCO2 ZINC000031722544 507821309 /nfs/dbraw/zinc/82/13/09/507821309.db2.gz CZRBBJASJXEOLJ-UHFFFAOYSA-N -1 1 371.418 2.503 50 0 FFAAMM COc1cccc([C@@H]2CN(C(=O)c3[nH]nc4ccccc43)C[C@H]2C(=O)[O-])c1 ZINC000091574382 507993256 /nfs/dbraw/zinc/99/32/56/507993256.db2.gz XYLOPKHRTRSQPF-JKSUJKDBSA-N -1 1 365.389 2.512 50 0 FFAAMM COc1cccc([C@@H]2CN(Cc3csc(C)n3)C[C@H]2C(=O)[O-])c1OC ZINC000091817581 508015540 /nfs/dbraw/zinc/01/55/40/508015540.db2.gz VELYDXFDNDQSKI-LSDHHAIUSA-N -1 1 362.451 2.769 50 0 FFAAMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ccc(C)cc2)o1 ZINC000076022646 508151925 /nfs/dbraw/zinc/15/19/25/508151925.db2.gz RUKWRLOPCLSMHH-HNNXBMFYSA-N -1 1 362.451 2.864 50 0 FFAAMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)cc1OC ZINC000084077449 508265040 /nfs/dbraw/zinc/26/50/40/508265040.db2.gz JDEQSHHROFPXQT-UHFFFAOYSA-N -1 1 374.422 2.598 50 0 FFAAMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@H](C(C)C)CC1 ZINC000114699857 508338850 /nfs/dbraw/zinc/33/88/50/508338850.db2.gz LEAUWHWZMGIMCA-INIZCTEOSA-N -1 1 368.481 2.968 50 0 FFAAMM CC(=O)N(c1nc(/C=C2/NC(=S)[N-]C2=O)cs1)c1ccc(C)c(C)c1 ZINC000105417123 508373160 /nfs/dbraw/zinc/37/31/60/508373160.db2.gz QINWJIMWWOXHNE-VGOFMYFVSA-N -1 1 372.475 2.790 50 0 FFAAMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)o1 ZINC000162865153 509312636 /nfs/dbraw/zinc/31/26/36/509312636.db2.gz SOAQTDIRBQMSJF-HNAYVOBHSA-N -1 1 374.462 2.729 50 0 FFAAMM Cc1nc2ccc(C(=O)Nc3ccc(F)cc3[N-]S(C)(=O)=O)cc2o1 ZINC000225403048 509370161 /nfs/dbraw/zinc/37/01/61/509370161.db2.gz FWDOKRGRFIITEE-UHFFFAOYSA-N -1 1 363.370 2.899 50 0 FFAAMM Cc1csc(CCCNC(=O)c2cnc(-c3ccccc3)[n-]c2=O)n1 ZINC000091452485 526340284 /nfs/dbraw/zinc/34/02/84/526340284.db2.gz PSNFLYRDXHALHL-UHFFFAOYSA-N -1 1 354.435 2.564 50 0 FFAAMM CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cc(C)cc(C)c1)CC(=O)N2 ZINC000046073938 570923505 /nfs/dbraw/zinc/92/35/05/570923505.db2.gz VXRWUUJFMYXYTK-GFCCVEGCSA-N -1 1 372.450 2.563 50 0 FFAAMM Cc1ccc([C@@H](C)NC(=O)Cc2c(C)nc(-c3ccccn3)[n-]c2=O)cc1 ZINC000048363468 570951387 /nfs/dbraw/zinc/95/13/87/570951387.db2.gz HYYLVZUEMPFQTE-CQSZACIVSA-N -1 1 362.433 2.869 50 0 FFAAMM