smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1ccc(N2CCCCC2)cc1)c1ccc(-c2ccon2)s1 ZINC000001034294 817374512 /nfs/dbraw/zinc/37/45/12/817374512.db2.gz YOODSUWDPWJKIE-UHFFFAOYSA-N -1 0 389.502 4.194 50 0 GIAARM Cc1nc2sc3c(c2c2nc(-c4ccccc4C(=O)[O-])nn21)CC[C@H](C)C3 ZINC000002439753 817389575 /nfs/dbraw/zinc/38/95/75/817389575.db2.gz GNCVALDGFDURDG-JTQLQIEISA-N -1 0 378.457 4.137 50 0 GIAARM Cc1cnn([C@H](C)c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)c1 ZINC000002731559 817399039 /nfs/dbraw/zinc/39/90/39/817399039.db2.gz DOJPUXARTUYGOR-CYBMUJFWSA-N -1 0 399.911 4.294 50 0 GIAARM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002761532 817399543 /nfs/dbraw/zinc/39/95/43/817399543.db2.gz YZXDFHAKSYILIR-UHFFFAOYSA-N -1 0 389.908 4.311 50 0 GIAARM Cc1nc2sc([C@H](c3cccs3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000004121070 817505834 /nfs/dbraw/zinc/50/58/34/817505834.db2.gz SSZPEGYJVSNZDJ-INIZCTEOSA-N -1 0 382.514 4.014 50 0 GIAARM COc1cccc(-c2[nH]nc3nc(-c4ccccc4OC)cc(C(=O)[O-])c32)c1 ZINC000013363557 818210702 /nfs/dbraw/zinc/21/07/02/818210702.db2.gz VZRJAYKAMAINGZ-UHFFFAOYSA-N -1 0 375.384 4.007 50 0 GIAARM O=C([O-])CSc1nnc(-c2ccc(Br)cc2)c2ccccc21 ZINC000019798793 818606042 /nfs/dbraw/zinc/60/60/42/818606042.db2.gz QFMXGEXGTAEYGD-UHFFFAOYSA-N -1 0 375.247 4.236 50 0 GIAARM CCc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000020532758 818624687 /nfs/dbraw/zinc/62/46/87/818624687.db2.gz NLHODRGFUYGZGJ-UHFFFAOYSA-N -1 0 395.484 4.006 50 0 GIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2onc(C)c2C)ccc1C ZINC000020580629 818626678 /nfs/dbraw/zinc/62/66/78/818626678.db2.gz ARZHEKNSTNDXJX-UHFFFAOYSA-N -1 0 386.473 4.466 50 0 GIAARM CC(C)n1ncc2cc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cnc21 ZINC000032098020 820897505 /nfs/dbraw/zinc/89/75/05/820897505.db2.gz FIOLKZXDINDDCE-UHFFFAOYSA-N -1 0 385.276 4.120 50 0 GIAARM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000190639437 823594226 /nfs/dbraw/zinc/59/42/26/823594226.db2.gz CZFLTLIETJGQBC-AWEZNQCLSA-N -1 0 390.480 4.334 50 0 GIAARM O=S(=O)([N-]c1nnc(Cl)c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000328594041 203757544 /nfs/dbraw/zinc/75/75/44/203757544.db2.gz KLNZXWNIBZNCTH-UHFFFAOYSA-N -1 0 387.770 4.103 50 0 GIAARM CCOc1c(Br)cc(/C=C\c2ncc(C(=O)[O-])s2)cc1OC ZINC000096402127 203833889 /nfs/dbraw/zinc/83/38/89/203833889.db2.gz ALLJWNCBTBLVLY-PLNGDYQASA-N -1 0 384.251 4.182 50 0 GIAARM Cc1ccccc1S(=O)(=O)[N-]c1cc(Br)cc2cccnc21 ZINC000001022407 203874484 /nfs/dbraw/zinc/87/44/84/203874484.db2.gz WPFAWVJUTCPNSL-UHFFFAOYSA-N -1 0 377.263 4.107 50 0 GIAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1=CCC=CC1 ZINC000002386070 203941686 /nfs/dbraw/zinc/94/16/86/203941686.db2.gz VOBBUNDEIQKUCV-OAQYLSRUSA-N -1 0 375.424 4.255 50 0 GIAARM Cc1ccnn1[C@H](C)c1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1 ZINC000002731198 203958125 /nfs/dbraw/zinc/95/81/25/203958125.db2.gz KFUPFHIAEKWUED-CYBMUJFWSA-N -1 0 399.911 4.294 50 0 GIAARM Cc1cccc(N2C(=O)c3ccccc3/C(=C/c3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000003347128 204000866 /nfs/dbraw/zinc/00/08/66/204000866.db2.gz IDUZPRRZHASGSP-STZFKDTASA-N -1 0 383.403 4.421 50 0 GIAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)COc2ccccc2Cl)cc1 ZINC000003626823 204016330 /nfs/dbraw/zinc/01/63/30/204016330.db2.gz PDAIUDCBJLILDN-QGZVFWFLSA-N -1 0 389.879 4.349 50 0 GIAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000003883255 204020980 /nfs/dbraw/zinc/02/09/80/204020980.db2.gz WOHZWTZTQYRNHE-NHCUHLMSSA-N -1 0 379.456 4.393 50 0 GIAARM O=C([O-])c1ccccc1SCCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000004070868 204026744 /nfs/dbraw/zinc/02/67/44/204026744.db2.gz GMVZUCHUOYUMLL-UHFFFAOYSA-N -1 0 391.448 4.316 50 0 in-vitro GIAARM Cn1c2ccccc2c([C@@H]2c3ccccc3C(=O)N2CC(=O)[O-])c1-c1ccccc1 ZINC000004734690 204071400 /nfs/dbraw/zinc/07/14/00/204071400.db2.gz XTUHUHBELCEMSZ-DEOSSOPVSA-N -1 0 396.446 4.475 50 0 GIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCC2=CCCCC2)cc1 ZINC000004809240 204076829 /nfs/dbraw/zinc/07/68/29/204076829.db2.gz KHFSSEUVAIWZGD-UHFFFAOYSA-N -1 0 398.528 4.416 50 0 GIAARM CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1ccccc1C(=O)[O-] ZINC000004807595 204077062 /nfs/dbraw/zinc/07/70/62/204077062.db2.gz XLQVSYDCGILVFG-UHFFFAOYSA-N -1 0 375.446 4.074 50 0 GIAARM COc1ccc(-c2coc3c2c(C)cc2oc(=O)c(CC(=O)[O-])c(C)c32)cc1 ZINC000004540392 204050805 /nfs/dbraw/zinc/05/08/05/204050805.db2.gz ZWLIRLYLDAQMSI-UHFFFAOYSA-N -1 0 378.380 4.459 50 0 GIAARM C[C@H](NC(=O)c1ccc2[nH]c(=O)c(-c3ccccc3)c([O-])c2c1)c1ccccc1 ZINC000005800244 204151608 /nfs/dbraw/zinc/15/16/08/204151608.db2.gz MGMVWNWFAMSZSI-HNNXBMFYSA-N -1 0 384.435 4.392 50 0 GIAARM CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CCCC(=O)[O-] ZINC000005953078 204158896 /nfs/dbraw/zinc/15/88/96/204158896.db2.gz WVHWOYWGQOTWGZ-UHFFFAOYSA-N -1 0 395.864 4.439 50 0 GIAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)c1 ZINC000006146686 204168786 /nfs/dbraw/zinc/16/87/86/204168786.db2.gz DILSHMNDSWLAEA-UHFFFAOYSA-N -1 0 394.496 4.034 50 0 GIAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000006268979 204173032 /nfs/dbraw/zinc/17/30/32/204173032.db2.gz QSWZNULWDTYAPA-AWEZNQCLSA-N -1 0 386.498 4.040 50 0 GIAARM O=C(Nc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000006270576 204173418 /nfs/dbraw/zinc/17/34/18/204173418.db2.gz HXNICENPZAJADH-UHFFFAOYSA-N -1 0 392.889 4.455 50 0 GIAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC ZINC000006887677 204220492 /nfs/dbraw/zinc/22/04/92/204220492.db2.gz OBVIVRONSRBFPZ-UHFFFAOYSA-N -1 0 386.473 4.330 50 0 GIAARM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1Cl ZINC000007052164 204231548 /nfs/dbraw/zinc/23/15/48/204231548.db2.gz GHUMGFNHTBRBQT-UHFFFAOYSA-N -1 0 388.272 4.182 50 0 GIAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000007615818 204243316 /nfs/dbraw/zinc/24/33/16/204243316.db2.gz MITGYEKQRUMABU-UHFFFAOYSA-N -1 0 381.862 4.142 50 0 GIAARM CS(=O)(=O)[N-]c1nc(-c2cccs2)nc2scc(-c3ccccc3)c21 ZINC000007777141 204249555 /nfs/dbraw/zinc/24/95/55/204249555.db2.gz BXRADBUYKPYHIS-UHFFFAOYSA-N -1 0 387.511 4.458 50 0 GIAARM O=C([O-])c1ccc(CSCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000008718236 204285481 /nfs/dbraw/zinc/28/54/81/204285481.db2.gz QKBOASJZKJICFJ-UHFFFAOYSA-N -1 0 383.513 4.099 50 0 GIAARM CCCCn1nc([N-]S(=O)(=O)c2ccccc2)c2cc3cc(C)ccc3nc21 ZINC000009014177 204296902 /nfs/dbraw/zinc/29/69/02/204296902.db2.gz NOQDNUQVFDZZGM-UHFFFAOYSA-N -1 0 394.500 4.494 50 0 GIAARM Cc1ccccc1N1C(=O)[N-]C(=O)[C@@]2(Cc3c4ccccc4ccc3N(C)C2)C1=O ZINC000008995742 204297330 /nfs/dbraw/zinc/29/73/30/204297330.db2.gz MCESTUVAFVJMEG-DEOSSOPVSA-N -1 0 399.450 4.250 50 0 GIAARM Cc1nc([N-]c2ncc3c(n2)C[C@H](c2ccccc2)CC3=O)nc2ccccc12 ZINC000009357560 204308524 /nfs/dbraw/zinc/30/85/24/204308524.db2.gz ARZIQRABMBRULR-INIZCTEOSA-N -1 0 381.439 4.385 50 0 GIAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000009646304 204317576 /nfs/dbraw/zinc/31/75/76/204317576.db2.gz XDKFSTPNTROZJN-UHFFFAOYSA-N -1 0 375.471 4.106 50 0 GIAARM CCOc1ccc(-c2[nH]nc3nc(-c4ccccc4OC)cc(C(=O)[O-])c32)cc1 ZINC000009597460 204318687 /nfs/dbraw/zinc/31/86/87/204318687.db2.gz JLUNABTZYZBLGJ-UHFFFAOYSA-N -1 0 389.411 4.397 50 0 GIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)s2)n[nH]1 ZINC000009686609 204320780 /nfs/dbraw/zinc/32/07/80/204320780.db2.gz DJWMOOQMXJQEMB-UHFFFAOYSA-N -1 0 398.307 4.010 50 0 GIAARM CCCn1nc([N-]S(=O)(=O)c2ccc(F)cc2)c2cc3cc(C)ccc3nc21 ZINC000009088239 204298654 /nfs/dbraw/zinc/29/86/54/204298654.db2.gz WKXGMLUEFMRDCY-UHFFFAOYSA-N -1 0 398.463 4.243 50 0 GIAARM CCc1ccc(-c2[nH]nc3nc(-c4ccc(O)c(OC)c4)cc(C(=O)[O-])c32)cc1 ZINC000020492355 204722529 /nfs/dbraw/zinc/72/25/29/204722529.db2.gz CCQASZSXFIKMKM-UHFFFAOYSA-N -1 0 389.411 4.267 50 0 GIAARM CCOC(=O)c1cc(-c2cccs2)nn1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000032936491 204930889 /nfs/dbraw/zinc/93/08/89/204930889.db2.gz AYICDFFYZGTLDR-UHFFFAOYSA-N -1 0 376.821 4.129 50 0 GIAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccccc1Cl ZINC000037133236 205021009 /nfs/dbraw/zinc/02/10/09/205021009.db2.gz WLOAUMBSBWRUQD-UHFFFAOYSA-N -1 0 392.889 4.455 50 0 GIAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)c(OC)c1 ZINC000040309315 205021265 /nfs/dbraw/zinc/02/12/65/205021265.db2.gz ZBIDISVUFDDCLU-INIZCTEOSA-N -1 0 392.411 4.316 50 0 GIAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(F)c1 ZINC000044198365 205085285 /nfs/dbraw/zinc/08/52/85/205085285.db2.gz CNPGWCADGCJCRS-OAQYLSRUSA-N -1 0 391.398 4.490 50 0 GIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccsc2)CC(=O)N3)c(OC)c1 ZINC000044901143 205089791 /nfs/dbraw/zinc/08/97/91/205089791.db2.gz KCAFLEZRSXSWSE-ZDUSSCGKSA-N -1 0 398.440 4.378 50 0 GIAARM O=C(Nc1ccccc1Cl)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000046895313 205108610 /nfs/dbraw/zinc/10/86/10/205108610.db2.gz HWCTXWRYPKDBEL-UHFFFAOYSA-N -1 0 392.889 4.455 50 0 GIAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2cccc(C(F)(F)F)c2)c1=O ZINC000049409495 205126914 /nfs/dbraw/zinc/12/69/14/205126914.db2.gz ARFKAPCITCUTQE-UHFFFAOYSA-N -1 0 382.363 4.060 50 0 GIAARM CC(C)n1c(=O)sc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc21 ZINC000046017596 205102195 /nfs/dbraw/zinc/10/21/95/205102195.db2.gz IEZMOGUJZLBXBH-UHFFFAOYSA-N -1 0 382.894 4.098 50 0 GIAARM Cc1nn(-c2ccc(F)cc2)c2c1C(=C([O-])c1ccc(Cl)s1)CC(=O)N2 ZINC000046057665 205102773 /nfs/dbraw/zinc/10/27/73/205102773.db2.gz DCFAAAIMWZBACH-LBPRGKRZSA-N -1 0 389.839 4.343 50 0 GIAARM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(SC(F)(F)F)cc1 ZINC000060347167 205182022 /nfs/dbraw/zinc/18/20/22/205182022.db2.gz JVCCZHXPLUIJBI-UHFFFAOYSA-N -1 0 381.335 4.306 50 0 GIAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000064979407 205205043 /nfs/dbraw/zinc/20/50/43/205205043.db2.gz RQJZMWZSEVABNI-UHFFFAOYSA-N -1 0 378.837 4.113 50 0 GIAARM CCCn1nccc1-c1csc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000065112543 205210303 /nfs/dbraw/zinc/21/03/03/205210303.db2.gz SKDGHMUWPNDOAW-UHFFFAOYSA-N -1 0 383.445 4.101 50 0 GIAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000064837341 205197003 /nfs/dbraw/zinc/19/70/03/205197003.db2.gz LYZLYMCKZFXSTH-UHFFFAOYSA-N -1 0 392.864 4.421 50 0 GIAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnc(-c3cccc(O)c3)nc2)cc1 ZINC000072095812 205303849 /nfs/dbraw/zinc/30/38/49/205303849.db2.gz VZERWUCBMUUYMH-AWEZNQCLSA-N -1 0 383.473 4.164 50 0 GIAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)/N=c1/ccc(-c2ccccc2)n[n-]1 ZINC000079055693 205380966 /nfs/dbraw/zinc/38/09/66/205380966.db2.gz CSGQDLBGZXDKSN-UHFFFAOYSA-N -1 0 390.443 4.389 50 0 GIAARM O=C([O-])c1ccc([C@@H]2SCC(=O)Nc3c2cnn3Cc2cccs2)cc1 ZINC000095480832 205467113 /nfs/dbraw/zinc/46/71/13/205467113.db2.gz CEAVNOXTKCOCSY-INIZCTEOSA-N -1 0 385.470 4.115 50 0 GIAARM O=C([O-])Cc1cccc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)c1 ZINC000095971406 205511354 /nfs/dbraw/zinc/51/13/54/205511354.db2.gz SDDJYCJRGXZSEQ-UHFFFAOYSA-N -1 0 389.455 4.156 50 0 GIAARM O=C([O-])c1cccc(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c1 ZINC000238213326 205686132 /nfs/dbraw/zinc/68/61/32/205686132.db2.gz SRDKHIIUQFQTHK-MUUNZHRXSA-N -1 0 393.464 4.086 50 0 GIAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1cccc(F)c1 ZINC000225662138 206063459 /nfs/dbraw/zinc/06/34/59/206063459.db2.gz HCLMVCYWXNOOJE-IBGZPJMESA-N -1 0 396.466 4.070 50 0 GIAARM O=C(Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(F)c1)c1ccco1 ZINC000032098261 206088256 /nfs/dbraw/zinc/08/82/56/206088256.db2.gz CKNBYFHVFCFRRK-UHFFFAOYSA-N -1 0 394.811 4.125 50 0 GIAARM COc1cc2c(cc1OC)-c1c(c(C(=O)[O-])nn1-c1ccc(C)c(Cl)c1)C2 ZINC000096193752 206121480 /nfs/dbraw/zinc/12/14/80/206121480.db2.gz XLGCMWGVZALCJW-UHFFFAOYSA-N -1 0 384.819 4.121 50 0 GIAARM COc1cc2[n-]c(=S)n(CCc3c[nH]c4ccccc34)c(=O)c2cc1OC ZINC000239235273 206125160 /nfs/dbraw/zinc/12/51/60/206125160.db2.gz VRGSIYNRZKGCIZ-UHFFFAOYSA-N -1 0 381.457 4.213 50 0 GIAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C ZINC000253618013 206149967 /nfs/dbraw/zinc/14/99/67/206149967.db2.gz KXGVEGMKQFWNSR-NOWMRCODSA-N -1 0 392.580 4.478 50 0 GIAARM CCc1ccc(NC(=O)c2c[n-]c3c(c(C)nn3-c3ccc(C)cc3)c2=O)cc1 ZINC000010166802 221098541 /nfs/dbraw/zinc/09/85/41/221098541.db2.gz JBPRGCCUOVFJBV-UHFFFAOYSA-N -1 0 386.455 4.145 50 0 GIAARM CCn1c(=O)c(/C=C/c2cccc(Br)c2)nc2cc(C(=O)[O-])ccc21 ZINC000012818375 221235788 /nfs/dbraw/zinc/23/57/88/221235788.db2.gz WMIRTELPTHGNQC-SOFGYWHQSA-N -1 0 399.244 4.048 50 0 GIAARM CC(C)Oc1ccc(-c2noc(-c3c(=O)[nH]c4c(Cl)cccc4c3[O-])n2)cc1 ZINC000065248621 222115942 /nfs/dbraw/zinc/11/59/42/222115942.db2.gz VXZMBGALHJQZSA-UHFFFAOYSA-N -1 0 397.818 4.391 50 0 GIAARM CCOc1ccc(-c2noc(-c3c(=O)[nH]c4c(Cl)cccc4c3[O-])n2)cc1 ZINC000065248620 222116022 /nfs/dbraw/zinc/11/60/22/222116022.db2.gz UFRIRVVETBIYCE-UHFFFAOYSA-N -1 0 383.791 4.003 50 0 GIAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253530396 524122488 /nfs/dbraw/zinc/12/24/88/524122488.db2.gz RUDATBOHQWOJDD-KXMPWSBZSA-N -1 0 392.580 4.478 50 0 GIAARM Cc1ccccc1C(=O)Nc1cc(Br)c([O-])c(Br)c1 ZINC000000692589 570218295 /nfs/dbraw/zinc/21/82/95/570218295.db2.gz QMYFNMYPWOEWAQ-UHFFFAOYSA-N -1 0 385.055 4.478 50 0 GIAARM Cc1cc(C)n(-c2ccc3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3n2)n1 ZINC000000762936 570222283 /nfs/dbraw/zinc/22/22/83/570222283.db2.gz YOHYORAEXPNUJY-UHFFFAOYSA-N -1 0 392.484 4.147 50 0 GIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2cc(C)no2)s1 ZINC000015731246 570223276 /nfs/dbraw/zinc/22/32/76/570223276.db2.gz VGJVMEQWNITUAO-UHFFFAOYSA-N -1 0 384.866 4.174 50 0 GIAARM CC[C@@H](C)[C@H](C(=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000938089 570230269 /nfs/dbraw/zinc/23/02/69/570230269.db2.gz BXTNZHLEVRDHIE-IOHHNLJHSA-N -1 0 399.057 4.396 50 0 GIAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(Br)cc1 ZINC000100134621 570266901 /nfs/dbraw/zinc/26/69/01/570266901.db2.gz FXECRYWRXMOMLZ-UHFFFAOYSA-N -1 0 383.249 4.116 50 0 GIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCCCCC2)cc1 ZINC000001786887 570268359 /nfs/dbraw/zinc/26/83/59/570268359.db2.gz SHDNABZPSSAOFE-UHFFFAOYSA-N -1 0 396.516 4.119 50 0 GIAARM CCn1c(=O)c(C(=O)Nc2nc(-c3ccccc3)cs2)c([O-])c2ccccc21 ZINC000100331706 570270957 /nfs/dbraw/zinc/27/09/57/570270957.db2.gz HZEGTAFCBCPMTQ-UHFFFAOYSA-N -1 0 391.452 4.103 50 0 GIAARM CC(C)(C)OCCN(CC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002526807 570289930 /nfs/dbraw/zinc/28/99/30/570289930.db2.gz DQKLNGZVBIUOIB-UHFFFAOYSA-N -1 0 397.471 4.137 50 0 GIAARM O=C([O-])c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)cc1O ZINC000002783565 570301482 /nfs/dbraw/zinc/30/14/82/570301482.db2.gz RJWJZMAOCNDJGL-UHFFFAOYSA-N -1 0 394.861 4.084 50 0 GIAARM O=C(C=C([O-])c1ccc(Cl)s1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000105472484 570304858 /nfs/dbraw/zinc/30/48/58/570304858.db2.gz LZCQYRFVCQGDFG-UHFFFAOYSA-N -1 0 375.755 4.201 50 0 GIAARM CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cnc21 ZINC000032097979 570388903 /nfs/dbraw/zinc/38/89/03/570388903.db2.gz PBRMLJFDRGUNSA-UHFFFAOYSA-N -1 0 385.276 4.120 50 0 GIAARM C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc(C(=O)[O-])cs1 ZINC000097673744 570389839 /nfs/dbraw/zinc/38/98/39/570389839.db2.gz WZRZALGUGRHPEX-LBPRGKRZSA-N -1 0 394.452 4.441 50 0 GIAARM CCc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)cc1 ZINC000035557038 570395966 /nfs/dbraw/zinc/39/59/66/570395966.db2.gz QJGHBHCILXBJTB-UHFFFAOYSA-N -1 0 375.475 4.039 50 0 GIAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000253609833 570445333 /nfs/dbraw/zinc/44/53/33/570445333.db2.gz RUDATBOHQWOJDD-NWUFMNAQSA-N -1 0 392.580 4.478 50 0 GIAARM CCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])cc1 ZINC000002700795 570505563 /nfs/dbraw/zinc/50/55/63/570505563.db2.gz LQGGFULMSNZOFE-UHFFFAOYSA-N -1 0 389.407 4.481 50 0 GIAARM CC(C)(C)c1cc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)on1 ZINC000072301873 570505743 /nfs/dbraw/zinc/50/57/43/570505743.db2.gz CEQOKLXDGCWNJF-CMDGGOBGSA-N -1 0 385.283 4.147 50 0 GIAARM Cc1cc(C)n(Cc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)n1 ZINC000002731624 570511587 /nfs/dbraw/zinc/51/15/87/570511587.db2.gz ZYCQUKMHUCEVRE-UHFFFAOYSA-N -1 0 399.911 4.042 50 0 GIAARM [O-]c1c([C@H](c2ccc(F)cc2)N2CCCC2)sc2nc(-c3ccco3)nn12 ZINC000022852195 570556363 /nfs/dbraw/zinc/55/63/63/570556363.db2.gz BIIDLOATHYOXHO-HNNXBMFYSA-N -1 0 384.436 4.081 50 0 GIAARM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000004807862 570729067 /nfs/dbraw/zinc/72/90/67/570729067.db2.gz HQROYQFQYQGLCA-SECBINFHSA-N -1 0 398.640 4.207 50 0 GIAARM COc1ccc(C[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000000976087 570741756 /nfs/dbraw/zinc/74/17/56/570741756.db2.gz HNUOBBLJTKTPON-LBPRGKRZSA-N -1 0 382.243 4.274 50 0 GIAARM COc1ccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])cc1OC ZINC000001061055 570749520 /nfs/dbraw/zinc/74/95/20/570749520.db2.gz HTCLRAIYUXGJTC-UHFFFAOYSA-N -1 0 383.425 4.383 50 0 GIAARM CCCCC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)[O-])O1 ZINC000004217732 570792112 /nfs/dbraw/zinc/79/21/12/570792112.db2.gz WGFOBBZOWHGYQH-MXHNKVEKSA-N -1 0 390.467 4.310 50 0 fda GIAARM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1cc(Cl)c(Cl)cc1Cl ZINC000005681568 570808137 /nfs/dbraw/zinc/80/81/37/570808137.db2.gz XLKFSRZOSBUXIC-UHFFFAOYSA-N -1 0 394.663 4.219 50 0 GIAARM CCn1c(=O)c(-c2nc(-c3ccc(SC)cc3)no2)c([O-])c2ccc(F)cc21 ZINC000101724809 570829538 /nfs/dbraw/zinc/82/95/38/570829538.db2.gz ISMQOJSTYNSBAQ-UHFFFAOYSA-N -1 0 397.431 4.305 50 0 GIAARM Cc1csc(-n2[n-]c(C)c(CCC(=O)Nc3ccc(C)c(Cl)c3)c2=O)n1 ZINC000101832790 570836680 /nfs/dbraw/zinc/83/66/80/570836680.db2.gz YCDCBDLZMYVBHJ-UHFFFAOYSA-N -1 0 390.896 4.184 50 0 GIAARM Cc1nc(NC(=O)c2cc(Cl)c([O-])c(Cl)c2)sc1-c1nccn1C ZINC000012544657 570845470 /nfs/dbraw/zinc/84/54/70/570845470.db2.gz ZTLHMPRXOQMGTL-UHFFFAOYSA-N -1 0 383.260 4.117 50 0 GIAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc2oc3ccccc3c2c1 ZINC000032854845 570855277 /nfs/dbraw/zinc/85/52/77/570855277.db2.gz ORVIBKREOSWVHX-UHFFFAOYSA-N -1 0 387.438 4.235 50 0 GIAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000016097110 570913626 /nfs/dbraw/zinc/91/36/26/570913626.db2.gz XGJKDFKOYOUVIR-HNNXBMFYSA-N -1 0 398.459 4.118 50 0 GIAARM Cc1nc2sc([C@@H](c3ccc(C)cc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000023156911 570919935 /nfs/dbraw/zinc/91/99/35/570919935.db2.gz FEDUEFXHXQWKBM-LJQANCHMSA-N -1 0 390.512 4.261 50 0 GIAARM Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000023157562 570920320 /nfs/dbraw/zinc/92/03/20/570920320.db2.gz AIJSXSYGAXGSEL-SFHVURJKSA-N -1 0 394.475 4.092 50 0 GIAARM Cc1nc2sc([C@H](c3cccc(F)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000023157443 570920412 /nfs/dbraw/zinc/92/04/12/570920412.db2.gz SVXKTXSNKCEFJN-SFHVURJKSA-N -1 0 394.475 4.092 50 0 GIAARM O=c1/c(=C\c2c(Cl)cc(Cl)c([O-])c2Cl)sc2nc3ccccc3n12 ZINC000016545570 570927459 /nfs/dbraw/zinc/92/74/59/570927459.db2.gz KAHKCHVUDMTLRG-LFYBBSHMSA-N -1 0 397.670 4.123 50 0 GIAARM CCCCC(F)(F)C(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-] ZINC000035644915 570952477 /nfs/dbraw/zinc/95/24/77/570952477.db2.gz DBVFKLAGQHYVGQ-BFYDXBDKSA-N -1 0 390.467 4.153 50 0 GIAARM CCSc1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2s1 ZINC000033298860 570962970 /nfs/dbraw/zinc/96/29/70/570962970.db2.gz RUMWKUKWQOKHCY-UHFFFAOYSA-N -1 0 386.470 4.487 50 0 GIAARM Cc1ccc(-n2[n-]c(C(=O)Nc3cccc(N4CCCCCC4)c3)cc2=O)cc1 ZINC000170647721 570984302 /nfs/dbraw/zinc/98/43/02/570984302.db2.gz QDCXNBGUJUPIKT-UHFFFAOYSA-N -1 0 390.487 4.107 50 0 GIAARM Cc1cc(C)c2nc(C)cc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3F)c2c1 ZINC000095500696 571076294 /nfs/dbraw/zinc/07/62/94/571076294.db2.gz OVICOWBMSMPZCC-IBGZPJMESA-N -1 0 380.419 4.245 50 0 GIAARM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)[n-]c(=S)n(C1CCCC1)c2=O ZINC000002971718 817410228 /nfs/dbraw/zinc/41/02/28/817410228.db2.gz LVIVTDWEWPNHJZ-DYVFJYSZSA-N -1 0 385.533 4.109 50 0 GIAARM O=C([O-])c1ccc(-n2c(=O)c3ccccc3nc2/C=C/c2ccccc2F)cc1 ZINC000013087039 818201861 /nfs/dbraw/zinc/20/18/61/818201861.db2.gz DVBVNWAGZGWDII-SDNWHVSQSA-N -1 0 386.382 4.393 50 0 GIAARM CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCCCC(=O)[O-])C(=O)C[C@@H]1O ZINC000027639583 820269806 /nfs/dbraw/zinc/26/98/06/820269806.db2.gz YMDDELUTDBQEMT-VIQOWXJYSA-N -1 0 382.541 4.255 50 0 GIAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@]21C(=O)Nc2ccccc21 ZINC000032072668 820893725 /nfs/dbraw/zinc/89/37/25/820893725.db2.gz ZBZPDQPAXPQNHB-OAQYLSRUSA-N -1 0 390.420 4.343 50 0 GIAARM CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000938087 529388395 /nfs/dbraw/zinc/38/83/95/529388395.db2.gz BXTNZHLEVRDHIE-IBDLBZOISA-N -1 0 399.057 4.396 50 0 GIAARM O=C([O-])c1cc(-c2ccc(I)cc2)nc2ccccc21 ZINC000000910843 203865364 /nfs/dbraw/zinc/86/53/64/203865364.db2.gz VGAFASJIQYNTNU-UHFFFAOYSA-N -1 0 375.165 4.205 50 0 GIAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)cc1 ZINC000002243980 203932192 /nfs/dbraw/zinc/93/21/92/203932192.db2.gz QBYSEGZHOGZXFO-NRFANRHFSA-N -1 0 389.407 4.057 50 0 GIAARM O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OCc1ccccc1 ZINC000002389724 203941493 /nfs/dbraw/zinc/94/14/93/203941493.db2.gz ZZIBVIHXEMIHEQ-NRFANRHFSA-N -1 0 375.424 4.276 50 0 GIAARM Cc1onc(-c2ccccc2)c1NC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000004325214 204039163 /nfs/dbraw/zinc/03/91/63/204039163.db2.gz TYFDCJLYSGKYHM-UHFFFAOYSA-N -1 0 379.416 4.159 50 0 GIAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000003360826 204001873 /nfs/dbraw/zinc/00/18/73/204001873.db2.gz VOQZMXFYWMTBHV-UHFFFAOYSA-N -1 0 384.295 4.265 50 0 GIAARM O=C([O-])c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000004164360 204030596 /nfs/dbraw/zinc/03/05/96/204030596.db2.gz GEUIWQMLIRRZQF-WDEREUQCSA-N -1 0 390.159 4.004 50 0 GIAARM CC(C)CCn1c(=O)c(C(=O)Nc2ccc(F)c(F)c2)c([O-])c2ccccc21 ZINC000004785910 204075869 /nfs/dbraw/zinc/07/58/69/204075869.db2.gz OIFVFIGYQUFYIB-UHFFFAOYSA-N -1 0 386.398 4.284 50 0 GIAARM Cc1ccc2c(C)nc([N-]c3ncc4c(n3)C[C@H](c3ccco3)CC4=O)nc2c1 ZINC000004777114 204075909 /nfs/dbraw/zinc/07/59/09/204075909.db2.gz UYIDEMXOMBUFSO-AWEZNQCLSA-N -1 0 385.427 4.286 50 0 GIAARM CC(C)[C@H]1Cc2c(sc3[n-]c(=S)n(CCc4ccccc4)c(=O)c23)CO1 ZINC000004903790 204088460 /nfs/dbraw/zinc/08/84/60/204088460.db2.gz RSWYAHGXUGTFCL-OAHLLOKOSA-N -1 0 386.542 4.461 50 0 GIAARM CC(C)[C@@H]1Cc2c(sc3[n-]c(=S)n(CCc4ccccc4)c(=O)c23)CO1 ZINC000004903781 204089111 /nfs/dbraw/zinc/08/91/11/204089111.db2.gz RSWYAHGXUGTFCL-HNNXBMFYSA-N -1 0 386.542 4.461 50 0 GIAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004580829 204055783 /nfs/dbraw/zinc/05/57/83/204055783.db2.gz QRHAHDRSXMWKPA-SXYIGIQMSA-N -1 0 385.504 4.324 50 0 aggregator GIAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004581079 204055842 /nfs/dbraw/zinc/05/58/42/204055842.db2.gz VSXLEPCMOAGYBN-SXYIGIQMSA-N -1 0 385.504 4.322 50 0 GIAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](CC(=O)c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000005191969 204117533 /nfs/dbraw/zinc/11/75/33/204117533.db2.gz BYVMCUXQCMJSRL-TZIWHRDSSA-N -1 0 392.455 4.123 50 0 GIAARM CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005953210 204158404 /nfs/dbraw/zinc/15/84/04/204158404.db2.gz AZSDBKRZOYQQAR-CABCVRRESA-N -1 0 399.468 4.197 50 0 GIAARM CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCCCC(=O)[O-] ZINC000005978186 204159501 /nfs/dbraw/zinc/15/95/01/204159501.db2.gz YMDDELUTDBQEMT-QZCLESEGSA-N -1 0 382.541 4.255 50 0 in-vitro GIAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(C(F)(F)F)cc1)CC3 ZINC000006049211 204162401 /nfs/dbraw/zinc/16/24/01/204162401.db2.gz YJBFVIPAXQNDIG-FMIVXFBMSA-N -1 0 386.329 4.058 50 0 GIAARM CCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000005672292 204145971 /nfs/dbraw/zinc/14/59/71/204145971.db2.gz TZRGGTPDGQELTC-BOPFTXTBSA-N -1 0 383.425 4.020 50 0 GIAARM Cc1ccc(-n2ncc(C(=O)[O-])c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000006769779 204203742 /nfs/dbraw/zinc/20/37/42/204203742.db2.gz PRHOTIUIYYZMMQ-UHFFFAOYSA-N -1 0 399.491 4.302 50 0 GIAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1)c1ccccc1 ZINC000006581381 204185160 /nfs/dbraw/zinc/18/51/60/204185160.db2.gz WBTRWIKYYNWLQC-HNNXBMFYSA-N -1 0 398.459 4.118 50 0 GIAARM COc1cccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(C)cc3)n2)c1OC ZINC000006748986 204199218 /nfs/dbraw/zinc/19/92/18/204199218.db2.gz ULKUDAWDPFBBAE-UHFFFAOYSA-N -1 0 389.411 4.316 50 0 GIAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000007005098 204230660 /nfs/dbraw/zinc/23/06/60/204230660.db2.gz BJUHBZNXXUTSBH-UHFFFAOYSA-N -1 0 392.864 4.421 50 0 GIAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000007428360 204241531 /nfs/dbraw/zinc/24/15/31/204241531.db2.gz WBKVAALYDPTBAD-UHFFFAOYSA-N -1 0 393.461 4.245 50 0 GIAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000007615945 204243293 /nfs/dbraw/zinc/24/32/93/204243293.db2.gz PCWGONLYKAOLGL-UHFFFAOYSA-N -1 0 397.424 4.157 50 0 GIAARM Cc1[n-]n2c(nc(CSc3nc(C)cc(C)n3)cc2=O)c1-c1ccccc1 ZINC000008914225 204293115 /nfs/dbraw/zinc/29/31/15/204293115.db2.gz XTPCLNPKIUORCE-UHFFFAOYSA-N -1 0 377.473 4.109 50 0 GIAARM CCOc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2csnn2)cc1 ZINC000009250848 204304182 /nfs/dbraw/zinc/30/41/82/204304182.db2.gz VRPIZCJFCBPKCH-UHFFFAOYSA-N -1 0 393.424 4.166 50 0 GIAARM CCOc1ccc(-c2[nH]nc3nc(-c4ccc(O)cc4)cc(C(=O)[O-])c32)cc1 ZINC000009597462 204317725 /nfs/dbraw/zinc/31/77/25/204317725.db2.gz QBUCUKDCBXUDOF-UHFFFAOYSA-N -1 0 375.384 4.094 50 0 GIAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)cc1Cl ZINC000009686815 204321386 /nfs/dbraw/zinc/32/13/86/204321386.db2.gz AYZGZGNBMIIQQA-UHFFFAOYSA-N -1 0 397.909 4.218 50 0 GIAARM CC[C@@H](C)n1cc(C(=O)c2ccccc2[O-])cc1-c1nc2ccccc2c(=O)[nH]1 ZINC000010025047 204329445 /nfs/dbraw/zinc/32/94/45/204329445.db2.gz LBWORRRDOIXMMN-CQSZACIVSA-N -1 0 387.439 4.299 50 0 GIAARM O=c1nc(SCc2ccc(Cl)cc2)nc2c(-c3ccc(F)cc3)c[n-]n21 ZINC000009106844 204298643 /nfs/dbraw/zinc/29/86/43/204298643.db2.gz BYEDLZSHGHQQMH-UHFFFAOYSA-N -1 0 386.839 4.169 50 0 GIAARM Cc1cc(C(F)(F)F)nc2nn3c(nc(-c4ccccc4F)cc3C(=O)[O-])c21 ZINC000013645633 204500309 /nfs/dbraw/zinc/50/03/09/204500309.db2.gz PKWDJZYBCZBXEU-UHFFFAOYSA-N -1 0 390.296 4.109 50 0 GIAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1ccc(O)cc1 ZINC000015082775 204563705 /nfs/dbraw/zinc/56/37/05/204563705.db2.gz QWAVIGQOYGUMPU-AWEZNQCLSA-N -1 0 383.400 4.432 50 0 GIAARM Cc1ccc2[nH]cc(CCn3c(C)c4c(cc3=O)[n-]n(-c3ccccc3)c4=O)c2c1 ZINC000036569291 205018072 /nfs/dbraw/zinc/01/80/72/205018072.db2.gz FGKNBZNANHPUDM-UHFFFAOYSA-N -1 0 398.466 4.185 50 0 GIAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(OC)cc4)c32)cc1 ZINC000040310158 205023124 /nfs/dbraw/zinc/02/31/24/205023124.db2.gz AWWKBXCQZDKHRU-QGZVFWFLSA-N -1 0 392.411 4.316 50 0 GIAARM COc1cccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)c1OC ZINC000040312643 205026009 /nfs/dbraw/zinc/02/60/09/205026009.db2.gz WYYIYCUDGOKNBM-HNNXBMFYSA-N -1 0 392.411 4.316 50 0 GIAARM CSCC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000038528849 205037232 /nfs/dbraw/zinc/03/72/32/205037232.db2.gz XVPHAVLGYDEOAF-OAQYLSRUSA-N -1 0 385.485 4.122 50 0 GIAARM COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@@H](c2cccs2)CC(=O)N3)c1 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UVFCYEIOEZWCGM-UHFFFAOYSA-N -1 0 382.825 4.014 50 0 GIAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000064979553 205204741 /nfs/dbraw/zinc/20/47/41/205204741.db2.gz ZBMVTQYCSNJXGE-UHFFFAOYSA-N -1 0 378.837 4.113 50 0 GIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2onc(C)c2C)s1 ZINC000065031359 205207302 /nfs/dbraw/zinc/20/73/02/205207302.db2.gz SJWPKHXVQWIINL-UHFFFAOYSA-N -1 0 378.475 4.219 50 0 GIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccnn3C(C)C)cs2)c(C)c1 ZINC000065112526 205211220 /nfs/dbraw/zinc/21/12/20/205211220.db2.gz ZHZSJSSXHVDCOO-UHFFFAOYSA-N -1 0 391.518 4.310 50 0 GIAARM Cc1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)CCCC4)cc1Cl ZINC000065150360 205213481 /nfs/dbraw/zinc/21/34/81/205213481.db2.gz JQFJDGXITYIMKX-UHFFFAOYSA-N -1 0 388.876 4.388 50 0 GIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C(C)C)nc2sc(C)cn21 ZINC000065183523 205215547 /nfs/dbraw/zinc/21/55/47/205215547.db2.gz QXFIAYQZXCDYDV-UHFFFAOYSA-N -1 0 399.925 4.290 50 0 GIAARM O=S(=O)([N-]c1ccc(F)cc1)c1cccnc1Nc1ccc(F)c(F)c1 ZINC000064757631 205193777 /nfs/dbraw/zinc/19/37/77/205193777.db2.gz NNJARRISKUQLNO-UHFFFAOYSA-N -1 0 379.363 4.043 50 0 GIAARM CCOc1ccccc1[N-]S(=O)(=O)c1c(C)sc(C)c1-c1ccno1 ZINC000064845196 205198298 /nfs/dbraw/zinc/19/82/98/205198298.db2.gz HFEZKGSGIFRMJF-UHFFFAOYSA-N -1 0 378.475 4.219 50 0 GIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)cc1F ZINC000065246465 205221670 /nfs/dbraw/zinc/22/16/70/205221670.db2.gz QNHNRBCBTMWRAV-UHFFFAOYSA-N -1 0 391.424 4.236 50 0 GIAARM Cc1c(C(=O)[O-])sc2ncnc(NC[C@@H](c3ccccc3Cl)N(C)C)c12 ZINC000067649647 205251727 /nfs/dbraw/zinc/25/17/27/205251727.db2.gz NUFRGUNZJNKIDF-ZDUSSCGKSA-N -1 0 390.896 4.066 50 0 GIAARM CC(C)c1cc(N2CC[C@H](c3ccccc3C(=O)[O-])C2)nc(C(F)(F)F)n1 ZINC000072145771 205311420 /nfs/dbraw/zinc/31/14/20/205311420.db2.gz RNQOFXUWIQTFMI-LBPRGKRZSA-N -1 0 379.382 4.311 50 0 GIAARM Cc1cc(=O)c(C(=O)[O-])c(CSc2ccccc2)n1CCc1ccccc1 ZINC000072446971 205352506 /nfs/dbraw/zinc/35/25/06/205352506.db2.gz RAFDLWCKVAJTMG-UHFFFAOYSA-N -1 0 379.481 4.390 50 0 GIAARM O=C([O-])C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000072401822 205344289 /nfs/dbraw/zinc/34/42/89/205344289.db2.gz WALMYVNKLPPLNL-UHFFFAOYSA-N -1 0 394.858 4.492 50 0 GIAARM Cc1cc(Br)c(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1C ZINC000072414268 205347912 /nfs/dbraw/zinc/34/79/12/205347912.db2.gz ASKGJQSAVLFQGF-UHFFFAOYSA-N -1 0 391.290 4.415 50 0 GIAARM CCOc1ccc(-c2ccnc(N[C@H](CC)c3ccncc3)n2)cc1C(=O)[O-] ZINC000077541637 205365514 /nfs/dbraw/zinc/36/55/14/205365514.db2.gz QPTVLQGJNHTKAC-QGZVFWFLSA-N -1 0 378.432 4.199 50 0 GIAARM COc1ccc2c(C)c(C(=O)N3CCC[C@@H](c4ccc(C(=O)[O-])cc4)C3)oc2c1 ZINC000095363812 205444673 /nfs/dbraw/zinc/44/46/73/205444673.db2.gz ADZXLFYKDUXHAW-QGZVFWFLSA-N -1 0 393.439 4.468 50 0 GIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1-c1nc(C2CC2)no1 ZINC000096379834 205562674 /nfs/dbraw/zinc/56/26/74/205562674.db2.gz KJPIMWHUGLTWIW-UHFFFAOYSA-N -1 0 392.868 4.013 50 0 GIAARM CC1(C)C[C@](CCNC(=O)c2ccccc2C(=O)[O-])(Cc2ccccc2)CCO1 ZINC000000892462 205701992 /nfs/dbraw/zinc/70/19/92/205701992.db2.gz HKOFUQLUQLQORX-DEOSSOPVSA-N -1 0 395.499 4.323 50 0 GIAARM COc1ccc(C[C@@H](CC(=O)[O-])C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000004719251 205749429 /nfs/dbraw/zinc/74/94/29/205749429.db2.gz JJMATADCSUJMCA-LBPRGKRZSA-N -1 0 382.243 4.274 50 0 GIAARM O=C([O-])CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 ZINC000002350512 205812633 /nfs/dbraw/zinc/81/26/33/205812633.db2.gz ROUDARNORWZKNE-UHFFFAOYSA-N -1 0 378.519 4.019 50 0 GIAARM Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)n(-c2ccc(F)cc2)n1 ZINC000028577173 206045852 /nfs/dbraw/zinc/04/58/52/206045852.db2.gz XODHIMDJUSDDCE-UHFFFAOYSA-N -1 0 381.432 4.274 50 0 GIAARM O=S(=O)([N-]c1nccc(Oc2ccccc2)n1)c1c(Cl)cccc1Cl ZINC000225743538 206073336 /nfs/dbraw/zinc/07/33/36/206073336.db2.gz HOTMYLLXHPRLQT-UHFFFAOYSA-N -1 0 396.255 4.377 50 0 GIAARM O=c1cc(-c2ccccc2)oc2c1c([O-])cc1c2[C@H](c2ccncc2)CC(=O)O1 ZINC000096114010 206118141 /nfs/dbraw/zinc/11/81/41/206118141.db2.gz YPOVZTPEMVQMGL-HNNXBMFYSA-N -1 0 385.375 4.002 50 0 GIAARM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(-c3ccnn3C(C)C)cs2)c1 ZINC000065112518 222101216 /nfs/dbraw/zinc/10/12/16/222101216.db2.gz VLSKRXWITZJDFA-UHFFFAOYSA-N -1 0 379.482 4.441 50 0 GIAARM CCCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccc(C)cc2F)c1 ZINC000065112603 222102132 /nfs/dbraw/zinc/10/21/32/222102132.db2.gz QZSAZSNBBIAKFG-UHFFFAOYSA-N -1 0 379.482 4.270 50 0 GIAARM C[C@@H](Oc1ccc(C(=O)/C=C\c2cccc(Br)c2)cc1)C(=O)[O-] ZINC000096765670 525923128 /nfs/dbraw/zinc/92/31/28/525923128.db2.gz AKAKPTCLHWYKMU-DUWGPSABSA-N -1 0 375.218 4.197 50 0 GIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)C(C)C)cc3s2)cc1 ZINC000015729315 570221374 /nfs/dbraw/zinc/22/13/74/570221374.db2.gz AFPXDZQDQIGSHI-UHFFFAOYSA-N -1 0 389.502 4.000 50 0 GIAARM CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000938090 570230237 /nfs/dbraw/zinc/23/02/37/570230237.db2.gz BXTNZHLEVRDHIE-AQPAIEDISA-N -1 0 399.057 4.396 50 0 GIAARM Cc1sc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccc(C)cc1 ZINC000000947349 570231118 /nfs/dbraw/zinc/23/11/18/570231118.db2.gz ZYUAQJKKGOIQEY-UHFFFAOYSA-N -1 0 378.906 4.303 50 0 GIAARM CCOc1cc(C)c(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)cc1C ZINC000001067638 570240189 /nfs/dbraw/zinc/24/01/89/570240189.db2.gz RVSWQTNNVDLVFZ-UHFFFAOYSA-N -1 0 399.896 4.174 50 0 GIAARM CCOc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000001073182 570240605 /nfs/dbraw/zinc/24/06/05/570240605.db2.gz LIOJGEHBRYPGQN-UHFFFAOYSA-N -1 0 396.468 4.138 50 0 GIAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCCC3)ccc2Cl)c1 ZINC000001075414 570240671 /nfs/dbraw/zinc/24/06/71/570240671.db2.gz SLXZUHDINBTCGC-UHFFFAOYSA-N -1 0 392.908 4.122 50 0 GIAARM COc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)c(C(=O)[O-])cc1OC ZINC000001136650 570246935 /nfs/dbraw/zinc/24/69/35/570246935.db2.gz XVVDNHWZKKTMEJ-UHFFFAOYSA-N -1 0 393.395 4.447 50 0 GIAARM O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 ZINC000001135522 570247105 /nfs/dbraw/zinc/24/71/05/570247105.db2.gz JWAILISCAOUWNQ-UHFFFAOYSA-N -1 0 384.844 4.318 50 0 GIAARM CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000001159595 570251329 /nfs/dbraw/zinc/25/13/29/570251329.db2.gz ZRPYZBGFPOCXNT-UHFFFAOYSA-N -1 0 376.865 4.288 50 0 GIAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000098073047 570263165 /nfs/dbraw/zinc/26/31/65/570263165.db2.gz HOFPKHKMPVVKPT-UHFFFAOYSA-N -1 0 378.650 4.351 50 0 GIAARM Cc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000001515421 570264641 /nfs/dbraw/zinc/26/46/41/570264641.db2.gz KMRIBBFVESYISD-UHFFFAOYSA-N -1 0 390.468 4.483 50 0 GIAARM Cc1cccc(-n2c3c(c(=O)[n-]c2=S)CN([C@H](C)c2ccccc2)CN3)c1C ZINC000020567590 570268305 /nfs/dbraw/zinc/26/83/05/570268305.db2.gz LTAFJLJNRMRXGL-MRXNPFEDSA-N -1 0 392.528 4.458 50 0 GIAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3cnn(C)c3C)cc(C(F)F)c12 ZINC000020615172 570272409 /nfs/dbraw/zinc/27/24/09/570272409.db2.gz DLNPMILMHMOHKV-UHFFFAOYSA-N -1 0 397.385 4.074 50 0 GIAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000257356885 570274171 /nfs/dbraw/zinc/27/41/71/570274171.db2.gz KXGVEGMKQFWNSR-XRAXRZFTSA-N -1 0 392.580 4.478 50 0 GIAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1 ZINC000000627646 570278051 /nfs/dbraw/zinc/27/80/51/570278051.db2.gz KQVDWPPEMYQEEN-CVEARBPZSA-N -1 0 398.846 4.198 50 0 GIAARM Cc1cc(NC(=O)C(C)C)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000015862138 570278784 /nfs/dbraw/zinc/27/87/84/570278784.db2.gz MTMMQWVQKBMYBH-UHFFFAOYSA-N -1 0 389.502 4.000 50 0 GIAARM Cc1oc(=O)c(-c2csc(Nc3ccc(F)cc3)n2)c([O-])c1Br ZINC000214076849 570279662 /nfs/dbraw/zinc/27/96/62/570279662.db2.gz UYNYGEPTKWSSBD-UHFFFAOYSA-N -1 0 397.225 4.423 50 0 GIAARM Cc1sc2nc3c(Cl)cc(C(=O)c4ccccc4[O-])cn3c(=O)c2c1C ZINC000012893169 570286621 /nfs/dbraw/zinc/28/66/21/570286621.db2.gz CMERLIBBGXPZBX-UHFFFAOYSA-N -1 0 384.844 4.116 50 0 GIAARM C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002555095 570290612 /nfs/dbraw/zinc/29/06/12/570290612.db2.gz 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/nfs/dbraw/zinc/80/58/35/205805835.db2.gz PQENNNKUMBGKGV-UHFFFAOYSA-N -1 0 382.176 4.297 50 0 GIAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1ccccc1F ZINC000225662084 206064106 /nfs/dbraw/zinc/06/41/06/206064106.db2.gz VWDKWBUVFDOZOI-KRWDZBQOSA-N -1 0 396.466 4.070 50 0 GIAARM CC(=O)N(c1nc(C=C2SC(=S)NC2=O)cs1)c1ccc(F)cc1F ZINC000096662807 206123119 /nfs/dbraw/zinc/12/31/19/206123119.db2.gz OLRGDPYIDKTIOX-LFYBBSHMSA-N -1 0 397.453 4.435 50 0 GIAARM CC(=O)O[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)[O-])[C@@H]3CC[C@]12C ZINC000247655959 206132475 /nfs/dbraw/zinc/13/24/75/206132475.db2.gz PEPHLKDOCOKBSE-YHWCWAGRSA-N -1 0 378.509 4.231 50 0 GIAARM C[C@H](c1nccs1)N(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)[O-] ZINC000299777837 206187487 /nfs/dbraw/zinc/18/74/87/206187487.db2.gz LUKGVWQOYAXSDG-OAHLLOKOSA-N -1 0 382.485 4.467 50 0 GIAARM O=C(c1ccccc1)N1CCCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000017178284 136202281 /nfs/dbraw/zinc/20/22/81/136202281.db2.gz YRUSXRXTGZIWSO-UHFFFAOYSA-N -1 0 398.509 4.142 50 0 GIAARM C[C@H](Oc1ccc(C(=O)/C=C\c2cccc(Br)c2)cc1)C(=O)[O-] ZINC000096765669 525929662 /nfs/dbraw/zinc/92/96/62/525929662.db2.gz AKAKPTCLHWYKMU-JSJZCHLLSA-N -1 0 375.218 4.197 50 0 GIAARM CCCCC(=O)Nc1ccc(N2CCN(c3cccc(C)c3)CC2)cc1C(=O)[O-] ZINC000064589749 534954774 /nfs/dbraw/zinc/95/47/74/534954774.db2.gz CMVDYXVSMQOHHO-UHFFFAOYSA-N -1 0 395.503 4.149 50 0 GIAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000000682238 570217169 /nfs/dbraw/zinc/21/71/69/570217169.db2.gz SFEFBXMCDFYCND-UHFFFAOYSA-N -1 0 383.897 4.456 50 0 GIAARM CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000938088 570230298 /nfs/dbraw/zinc/23/02/98/570230298.db2.gz BXTNZHLEVRDHIE-AUIPBDMJSA-N -1 0 399.057 4.396 50 0 GIAARM O=C([O-])CC1(CC(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)CCCCC1 ZINC000001025553 570235836 /nfs/dbraw/zinc/23/58/36/570235836.db2.gz FLOFVJIYQMIDPN-UHFFFAOYSA-N -1 0 399.516 4.410 50 0 GIAARM Cc1ccc(C[C@H](CC(=O)Nc2ccc(C)cc2Br)C(=O)[O-])cc1 ZINC000035141823 570241411 /nfs/dbraw/zinc/24/14/11/570241411.db2.gz LJERGODJUTWPNV-OAHLLOKOSA-N -1 0 390.277 4.338 50 0 GIAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1C(F)(F)F ZINC000020258484 570250636 /nfs/dbraw/zinc/25/06/36/570250636.db2.gz LEBGXNOBBZNZBV-UHFFFAOYSA-N -1 0 388.392 4.125 50 0 GIAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000001410827 570262246 /nfs/dbraw/zinc/26/22/46/570262246.db2.gz LTWMFOUSNVISAC-UHFFFAOYSA-N -1 0 392.786 4.178 50 0 GIAARM CCCSc1nnc2c(n1)O[C@H](c1ccc(C(=O)[O-])cc1)Nc1ccccc1-2 ZINC000002062111 570273121 /nfs/dbraw/zinc/27/31/21/570273121.db2.gz VOKATVZBCYLJCG-QGZVFWFLSA-N -1 0 394.456 4.242 50 0 GIAARM Cc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2csnn2)cc1 ZINC000020894194 570283763 /nfs/dbraw/zinc/28/37/63/570283763.db2.gz NPZFPJWGEGLFCJ-UHFFFAOYSA-N -1 0 378.413 4.097 50 0 GIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000021363739 570290741 /nfs/dbraw/zinc/29/07/41/570290741.db2.gz JVRSDGOOYODKRC-UHFFFAOYSA-N -1 0 389.395 4.304 50 0 GIAARM 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O=C([O-])c1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1 ZINC000000860517 570664472 /nfs/dbraw/zinc/66/44/72/570664472.db2.gz IMCAFBSIFOPXSS-UHFFFAOYSA-N -1 0 378.167 4.050 50 0 GIAARM COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1Br ZINC000001185092 570713292 /nfs/dbraw/zinc/71/32/92/570713292.db2.gz OCBOMXYWTKTJNY-UHFFFAOYSA-N -1 0 390.686 4.220 50 0 GIAARM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000003833348 570726309 /nfs/dbraw/zinc/72/63/09/570726309.db2.gz BAFAFEXUXJVYDM-UHFFFAOYSA-N -1 0 388.272 4.361 50 0 GIAARM CCCc1nnc(SCc2ccccc2Oc2ccccc2)n1CC(=O)[O-] ZINC000012907146 570726869 /nfs/dbraw/zinc/72/68/69/570726869.db2.gz GFEZQDQAMDYIFZ-UHFFFAOYSA-N -1 0 383.473 4.400 50 0 GIAARM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000013278888 570752464 /nfs/dbraw/zinc/75/24/64/570752464.db2.gz WXGSOVZPMAIDLV-UHFFFAOYSA-N -1 0 379.503 4.205 50 0 GIAARM C[C@H]1Cc2cc(-c3oc4c(c3CC(=O)[O-])c(=O)oc3ccccc43)ccc2O1 ZINC000524731614 570766283 /nfs/dbraw/zinc/76/62/83/570766283.db2.gz DTNFYSBHZYMITK-NSHDSACASA-N -1 0 376.364 4.157 50 0 GIAARM O=C([O-])Cn1c2ccccc2nc1SCCOc1ccc2ccccc2c1 ZINC000169727963 570784838 /nfs/dbraw/zinc/78/48/38/570784838.db2.gz SWMBLIICWJBQBE-UHFFFAOYSA-N -1 0 378.453 4.445 50 0 GIAARM Cc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018066577 570798106 /nfs/dbraw/zinc/79/81/06/570798106.db2.gz AWFRYIXNFIETFH-ZLNRFVROSA-N -1 0 398.462 4.355 50 0 GIAARM CCCn1c(=O)c(-c2nc(-c3ccccc3Cl)no2)c([O-])c2ccccc21 ZINC000101725333 570831173 /nfs/dbraw/zinc/83/11/73/570831173.db2.gz NMURNFHXYPVRCH-UHFFFAOYSA-N -1 0 381.819 4.488 50 0 GIAARM Cc1nc(-n2[n-]c(C)c(CCC(=O)Nc3cccc(C)c3C)c2=O)sc1C ZINC000101833305 570836837 /nfs/dbraw/zinc/83/68/37/570836837.db2.gz WQDFZXBTXMAUJE-UHFFFAOYSA-N -1 0 384.505 4.148 50 0 GIAARM O=C([O-])c1cc(Br)ccc1NC(=O)Cc1ccc2ccccc2c1 ZINC000013178536 570838402 /nfs/dbraw/zinc/83/84/02/570838402.db2.gz QFNJKWXZJBKUNM-UHFFFAOYSA-N -1 0 384.229 4.482 50 0 GIAARM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 ZINC000014256653 570839340 /nfs/dbraw/zinc/83/93/40/570839340.db2.gz UASTZPSDENBSHL-UHFFFAOYSA-N -1 0 394.663 4.234 50 0 GIAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000007428273 570842190 /nfs/dbraw/zinc/84/21/90/570842190.db2.gz QJVAVOKJUJKQHW-UHFFFAOYSA-N -1 0 393.461 4.245 50 0 GIAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000033253368 570861165 /nfs/dbraw/zinc/86/11/65/570861165.db2.gz FXXJQBXQQDRZKS-UHFFFAOYSA-N -1 0 396.896 4.075 50 0 GIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2cc(C)[nH]n2)sc1C ZINC000096341459 570896649 /nfs/dbraw/zinc/89/66/49/570896649.db2.gz WBGVQGVPFWPSRR-UHFFFAOYSA-N -1 0 397.909 4.218 50 0 GIAARM COc1cc(CC(=O)Nc2cc(Br)cc(Cl)c2[O-])ccc1C ZINC000089647077 570908300 /nfs/dbraw/zinc/90/83/00/570908300.db2.gz HMHQCTYLYVIERF-UHFFFAOYSA-N -1 0 384.657 4.306 50 0 GIAARM CC(C)OC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccccc1)C[C@H](C)CC2 ZINC000018045318 570950066 /nfs/dbraw/zinc/95/00/66/570950066.db2.gz ANMXERMCPKPWLU-CYBMUJFWSA-N -1 0 393.530 4.239 50 0 aggregator GIAARM O=S(=O)([N-]c1ccccc1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000033307147 570967227 /nfs/dbraw/zinc/96/72/27/570967227.db2.gz VTXKWYWASOAVKU-UHFFFAOYSA-N -1 0 395.415 4.344 50 0 GIAARM O=C([O-])C(F)(F)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 ZINC000725240534 570974330 /nfs/dbraw/zinc/97/43/30/570974330.db2.gz MJEDZHYAUFQZRC-SFHVURJKSA-N -1 0 387.382 4.024 50 0 GIAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1cccc(Cl)c1C ZINC000012745054 570988058 /nfs/dbraw/zinc/98/80/58/570988058.db2.gz MXEURHCTWFKYGX-UHFFFAOYSA-N -1 0 387.842 4.146 50 0 GIAARM O=C([O-])c1coc(CN2CCC(c3nc4cc(Cl)ccc4s3)CC2)n1 ZINC000570808259 823089955 /nfs/dbraw/zinc/08/99/55/823089955.db2.gz ISNXNBJHWKKEAW-UHFFFAOYSA-N -1 0 377.853 4.016 50 0 GIAARM CSc1nc(=O)c2sc3nc(CC(C)C)c4c(c3c2[n-]1)CC(C)(C)OC4 ZINC000002231897 817380546 /nfs/dbraw/zinc/38/05/46/817380546.db2.gz YUOPXCZIGAEHNW-UHFFFAOYSA-N -1 0 389.546 4.305 50 0 GIAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2c3cc(C)ccc3C(C)=CC2(C)C)cc1 ZINC000002314104 817384054 /nfs/dbraw/zinc/38/40/54/817384054.db2.gz YLNZIIOHIXKMOV-UHFFFAOYSA-N -1 0 384.501 4.404 50 0 GIAARM Cc1nn(Cc2cccc(Cl)c2)c(C)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000002805075 817402731 /nfs/dbraw/zinc/40/27/31/817402731.db2.gz POACLRAUXBPCEE-UHFFFAOYSA-N -1 0 393.871 4.142 50 0 GIAARM O=C(NC1CCCCC1)c1ccc(Cn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000002973378 817410000 /nfs/dbraw/zinc/41/00/00/817410000.db2.gz LZTPJGVODJDWFP-UHFFFAOYSA-N -1 0 393.512 4.170 50 0 GIAARM CCCn1c(=O)c2ccc(C(=O)NCc3ccccc3Cl)cc2[n-]c1=S ZINC000003043625 817414302 /nfs/dbraw/zinc/41/43/02/817414302.db2.gz WTAOIZBKEGKZGN-UHFFFAOYSA-N -1 0 387.892 4.052 50 0 GIAARM O=S(=O)([N-]c1cccc(-c2nc3cccnc3s2)c1)c1ccccc1F ZINC000004036362 817498824 /nfs/dbraw/zinc/49/88/24/817498824.db2.gz UTXKKUQVFGWIRQ-UHFFFAOYSA-N -1 0 385.445 4.298 50 0 GIAARM COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C(=O)[O-])cc2)cc1 ZINC000013087024 818201811 /nfs/dbraw/zinc/20/18/11/818201811.db2.gz FJNDONBFGMVFMC-OVCLIPMQSA-N -1 0 398.418 4.263 50 0 GIAARM 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CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)[O-])C(C)C ZINC000022001799 570301524 /nfs/dbraw/zinc/30/15/24/570301524.db2.gz BGHVPSAAFKIBID-AFMDSPMNSA-N -1 0 384.409 4.324 50 0 in-vitro GIAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(CC)cc1 ZINC000002884147 570316385 /nfs/dbraw/zinc/31/63/85/570316385.db2.gz UHCGGGGAOVMJQU-UHFFFAOYSA-N -1 0 384.295 4.211 50 0 GIAARM COCc1ccc2ccccc2c1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000221037937 570332972 /nfs/dbraw/zinc/33/29/72/570332972.db2.gz MOLXBYOKGPLRTQ-HKUYNNGSSA-N -1 0 385.460 4.164 50 0 GIAARM CCOc1ccc(-n2c(=S)[n-]nc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000003266597 570334790 /nfs/dbraw/zinc/33/47/90/570334790.db2.gz SFZQBCHHAKAFNU-UHFFFAOYSA-N -1 0 387.461 4.021 50 0 GIAARM O=S(=O)([N-]c1ccc(-c2cnc(C3CC3)o2)cc1)c1c(F)cccc1F ZINC000026548288 570341856 /nfs/dbraw/zinc/34/18/56/570341856.db2.gz ZANMMEJJTABOAW-UHFFFAOYSA-N -1 0 376.384 4.298 50 0 GIAARM COc1ccc(-c2cc(C(=O)[O-])c3nc(-c4ccccc4)[nH]c3n2)c(OC)c1 ZINC000011694699 570343230 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394.475 4.075 50 0 GIAARM O=C([O-])c1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)o2)cc1 ZINC000001085959 570953210 /nfs/dbraw/zinc/95/32/10/570953210.db2.gz RPSBKFXZTQCIMI-UHFFFAOYSA-N -1 0 392.436 4.489 50 0 GIAARM Cc1cccc2nc(-c3cccc(NC(=O)[C@H]4CCCC[C@@H]4C(=O)[O-])c3)cn21 ZINC000004745006 570959890 /nfs/dbraw/zinc/95/98/90/570959890.db2.gz SQOGXOOWDRSJJV-ROUUACIJSA-N -1 0 377.444 4.139 50 0 GIAARM Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(C)c2)c1C ZINC000033306749 570967294 /nfs/dbraw/zinc/96/72/94/570967294.db2.gz BBECHCUUYGQZBX-UHFFFAOYSA-N -1 0 375.519 4.481 50 0 GIAARM C[C@@H](Sc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3)C(=O)[O-] ZINC000002197329 570996692 /nfs/dbraw/zinc/99/66/92/570996692.db2.gz PHDJUNBRRZVRNM-LLVKDONJSA-N -1 0 392.546 4.407 50 0 GIAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1CC1 ZINC000015525479 571011172 /nfs/dbraw/zinc/01/11/72/571011172.db2.gz KPRNIUXGGQVGIJ-UHFFFAOYSA-N -1 0 385.272 4.143 50 0 GIAARM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000095067947 571049681 /nfs/dbraw/zinc/04/96/81/571049681.db2.gz PTHCLEUYYQQVQQ-UHFFFAOYSA-N -1 0 378.650 4.351 50 0 GIAARM O=C([O-])c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1 ZINC000095099973 571049843 /nfs/dbraw/zinc/04/98/43/571049843.db2.gz WPXMEOBILYVKBC-UHFFFAOYSA-N -1 0 399.450 4.042 50 0 in-vitro GIAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3c[nH]nc3C3CCCCC3)C2)c1 ZINC000095354786 571051329 /nfs/dbraw/zinc/05/13/29/571051329.db2.gz GHLNGHNHFRBNLB-SFHVURJKSA-N -1 0 381.476 4.175 50 0 GIAARM Cc1cccc(NC(=O)CCC2CCN(C(=O)c3c([O-])cccc3F)CC2)c1 ZINC000095518622 571085734 /nfs/dbraw/zinc/08/57/34/571085734.db2.gz JIJLZMZSFXECIW-UHFFFAOYSA-N -1 0 384.451 4.111 50 0 GIAARM O=C([O-])C[C@@H](CC(=O)Nc1nnc(C2CC2)s1)c1ccc(C(F)(F)F)cc1 ZINC000001031147 817374390 /nfs/dbraw/zinc/37/43/90/817374390.db2.gz XVFAFPBAPVPWOC-LLVKDONJSA-N -1 0 399.394 4.021 50 0 GIAARM Cc1ccccc1Cn1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000002781368 817399658 /nfs/dbraw/zinc/39/96/58/817399658.db2.gz ZHMRCNFGVSLQEK-UHFFFAOYSA-N -1 0 377.469 4.194 50 0 GIAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnn(Cc3cccc(Cl)c3)c2)c1 ZINC000002792246 817401157 /nfs/dbraw/zinc/40/11/57/817401157.db2.gz JSGLGNLZQLYVAZ-UHFFFAOYSA-N -1 0 375.881 4.002 50 0 GIAARM O=C(CCCCCn1c(=O)c2sccc2[n-]c1=S)NC1CCCCC1 ZINC000002925549 817406139 /nfs/dbraw/zinc/40/61/39/817406139.db2.gz NNTXDGPZMSADNO-UHFFFAOYSA-N -1 0 379.551 4.130 50 0 GIAARM C[C@@H]1CCCC[C@H]1NC(=O)CCCCCn1c(=O)c2sccc2[n-]c1=S ZINC000002925569 817406210 /nfs/dbraw/zinc/40/62/10/817406210.db2.gz FXKMGQKZAVRGEZ-ZIAGYGMSSA-N -1 0 393.578 4.376 50 0 GIAARM O=C([N-]S(=O)(=O)c1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000003151712 817418970 /nfs/dbraw/zinc/41/89/70/817418970.db2.gz YVGLSLOAIMDDGY-UHFFFAOYSA-N -1 0 379.652 4.157 50 0 GIAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C ZINC000003978357 817495976 /nfs/dbraw/zinc/49/59/76/817495976.db2.gz KXGVEGMKQFWNSR-UPUIDHLLSA-N -1 0 392.580 4.478 50 0 GIAARM COc1ccc2nc([N-]c3nnc(-c4cc(OC)cc(OC)c4)o3)sc2c1 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O=C([O-])c1cn(-c2ccc(F)cc2)c2c1NC(=O)C[C@@H]2c1ccc(Cl)cc1 ZINC000066087841 230949139 /nfs/dbraw/zinc/94/91/39/230949139.db2.gz SOWSUSKNCXPVOE-OAHLLOKOSA-N -1 0 384.794 4.442 50 0 GIAARM COc1cc(/C=C/C(=O)[O-])c(Br)cc1OCc1ccc(C)cc1 ZINC000002140866 203929235 /nfs/dbraw/zinc/92/92/35/203929235.db2.gz QQDJOWAEGDDUKJ-BQYQJAHWSA-N -1 0 377.234 4.443 50 0 GIAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1 ZINC000003348298 204000651 /nfs/dbraw/zinc/00/06/51/204000651.db2.gz QFTGNPTYVJDUNG-UHFFFAOYSA-N -1 0 382.441 4.238 50 0 GIAARM Cc1ccc(C)c(OCC(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c1 ZINC000003626524 204015485 /nfs/dbraw/zinc/01/54/85/204015485.db2.gz LXXPQKRUOVOJRH-IBGZPJMESA-N -1 0 383.488 4.312 50 0 GIAARM CCc1ccc(OCC(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000003627050 204017402 /nfs/dbraw/zinc/01/74/02/204017402.db2.gz IETGAMFAACLBCX-HXUWFJFHSA-N -1 0 383.488 4.258 50 0 GIAARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc(C)c1-c1ccc(C(C)C)cc1 ZINC000003864135 204020988 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Cc1cccc(C)c1-n1nnnc1C1(Nc2cccc(C(=O)[O-])c2)CCCCC1 ZINC000006645798 204187782 /nfs/dbraw/zinc/18/77/82/204187782.db2.gz RZKRPIIIIAWMSB-UHFFFAOYSA-N -1 0 391.475 4.249 50 0 GIAARM COc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(C)cc3)n2)ccc1O ZINC000006748998 204199786 /nfs/dbraw/zinc/19/97/86/204199786.db2.gz JPNXBFDAWMXKFP-UHFFFAOYSA-N -1 0 375.384 4.013 50 0 GIAARM CCCCOc1ccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000007168019 204235515 /nfs/dbraw/zinc/23/55/15/204235515.db2.gz QKDSHQWEGXWCTJ-DTQAZKPQSA-N -1 0 390.439 4.218 50 0 GIAARM Cc1ccccc1N1C(=O)[N-]C(=O)[C@]2(Cc3c4ccccc4ccc3N(C)C2)C1=O ZINC000008995743 204296720 /nfs/dbraw/zinc/29/67/20/204296720.db2.gz MCESTUVAFVJMEG-XMMPIXPASA-N -1 0 399.450 4.250 50 0 GIAARM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2csnn2)cc1F ZINC000009250850 204305073 /nfs/dbraw/zinc/30/50/73/204305073.db2.gz GRVBGGOIRMKVCW-UHFFFAOYSA-N -1 0 381.388 4.215 50 0 GIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CCC3 ZINC000009685705 204321134 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50 0 GIAARM O=S(=O)([N-]c1ccccc1)c1ccccc1-c1nc(-c2cccc(F)c2)no1 ZINC000033307186 570967574 /nfs/dbraw/zinc/96/75/74/570967574.db2.gz MNNIZLPTNXKGOG-UHFFFAOYSA-N -1 0 395.415 4.344 50 0 GIAARM CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc(C(=O)[O-])c[nH]1 ZINC000725240403 570974023 /nfs/dbraw/zinc/97/40/23/570974023.db2.gz CBDZMZWYYFCEAZ-GOSISDBHSA-N -1 0 391.427 4.098 50 0 GIAARM O=C([O-])C(F)(F)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 ZINC000725240533 570974308 /nfs/dbraw/zinc/97/43/08/570974308.db2.gz MJEDZHYAUFQZRC-GOSISDBHSA-N -1 0 387.382 4.024 50 0 GIAARM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000002465265 570993079 /nfs/dbraw/zinc/99/30/79/570993079.db2.gz USVMSNNZAZFNGW-UHFFFAOYSA-N -1 0 377.263 4.107 50 0 GIAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000170686542 571010512 /nfs/dbraw/zinc/01/05/12/571010512.db2.gz AUNMFJIJWWYFIY-GFCCVEGCSA-N -1 0 382.888 4.040 50 0 GIAARM O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(Br)c(F)c1 ZINC000095067961 571049638 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O=C([O-])CN1C(=O)/C(=C/c2cccc(Br)c2)Sc2ccccc21 ZINC000003029323 817412223 /nfs/dbraw/zinc/41/22/23/817412223.db2.gz KFZUJMWWGPDYFL-DHDCSXOGSA-N -1 0 390.258 4.014 50 0 GIAARM O=C([O-])c1nn(-c2ccccc2)cc1/C=C/c1nnc(-c2ccc(Cl)cc2)o1 ZINC000019810679 818605975 /nfs/dbraw/zinc/60/59/75/818605975.db2.gz UNDKYWFYRPNAKF-DHZHZOJOSA-N -1 0 392.802 4.444 50 0 GIAARM Cc1cc([C@@H](C)NC(=O)[C@H](C)n2c(=O)c3ccccc3[n-]c2=S)c(C)s1 ZINC000032401789 820934458 /nfs/dbraw/zinc/93/44/58/820934458.db2.gz CTJWKNKBUUVODX-NEPJUHHUSA-N -1 0 387.530 4.176 50 0 GIAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000037629328 821093796 /nfs/dbraw/zinc/09/37/96/821093796.db2.gz RUDATBOHQWOJDD-RTHCORENSA-N -1 0 392.580 4.478 50 0 GIAARM O=C([O-])c1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1O ZINC000000784501 203853465 /nfs/dbraw/zinc/85/34/65/203853465.db2.gz OAWLITOZLRAKJG-UHFFFAOYSA-N -1 0 380.381 4.064 50 0 GIAARM O=C(Nc1ccc(Cl)cc1)c1nc[n-]c1C(=O)Nc1ccc(Cl)cc1 ZINC000000845389 203858453 /nfs/dbraw/zinc/85/84/53/203858453.db2.gz RVAHHWBKHOEJEP-UHFFFAOYSA-N -1 0 375.215 4.221 50 0 GIAARM COC(=O)c1c(NC(=O)CCCC(=O)[O-])sc(C)c1-c1cccc(Cl)c1 ZINC000003634526 204016808 /nfs/dbraw/zinc/01/68/08/204016808.db2.gz YVUWKEAHVSFLKE-UHFFFAOYSA-N -1 0 395.864 4.357 50 0 GIAARM CC1(C)O[C@@](C)(C(O)(Cc2ccccc2)Cc2ccccc2)CC[C@H]1C(=O)[O-] ZINC000003845837 204020342 /nfs/dbraw/zinc/02/03/42/204020342.db2.gz GBHMCKICCNQKAV-NZQKXSOJSA-N -1 0 382.500 4.251 50 0 GIAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004389106 204043167 /nfs/dbraw/zinc/04/31/67/204043167.db2.gz SJVFAHZPLIXNDH-JOCHJYFZSA-N -1 0 387.435 4.221 50 0 GIAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004262145 204035522 /nfs/dbraw/zinc/03/55/22/204035522.db2.gz SJVFAHZPLIXNDH-QFIPXVFZSA-N -1 0 387.435 4.221 50 0 GIAARM N=C1S/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)N1c1nccs1 ZINC000004451443 204045490 /nfs/dbraw/zinc/04/54/90/204045490.db2.gz 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endogenous,world GIAARM CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-] ZINC000005819929 204152340 /nfs/dbraw/zinc/15/23/40/204152340.db2.gz RQOFITYRYPQNLL-ZWSAOQBFSA-N -1 0 382.541 4.111 50 0 in-vitro GIAARM CCc1ccc(-c2csc(NC(=O)CCC(=O)[O-])c2C(=O)OC(C)C)cc1 ZINC000005954404 204158837 /nfs/dbraw/zinc/15/88/37/204158837.db2.gz FUERLPCFZOZGFW-UHFFFAOYSA-N -1 0 389.473 4.346 50 0 GIAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000005604875 204143343 /nfs/dbraw/zinc/14/33/43/204143343.db2.gz ROZGAGVOKVAEEG-MRXNPFEDSA-N -1 0 392.242 4.292 50 0 GIAARM COC(=O)c1c(NC(=O)CCCC(=O)[O-])sc(C)c1-c1ccc(Cl)cc1 ZINC000006184244 204170482 /nfs/dbraw/zinc/17/04/82/204170482.db2.gz ANLVEBBEKSMNBT-UHFFFAOYSA-N -1 0 395.864 4.357 50 0 GIAARM O=C(NCc1n[n-]c(=S)n1-c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000006423122 204178377 /nfs/dbraw/zinc/17/83/77/204178377.db2.gz MTNBHXRXIINIRD-UHFFFAOYSA-N -1 0 379.272 4.167 50 0 GIAARM COc1ccc(-c2[nH]nc3nc(-c4ccccc4OC)cc(C(=O)[O-])c32)cc1 ZINC000006748977 204199571 /nfs/dbraw/zinc/19/95/71/204199571.db2.gz BSTNKZGACAJGKK-UHFFFAOYSA-N -1 0 375.384 4.007 50 0 GIAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)c1 ZINC000006887728 204220680 /nfs/dbraw/zinc/22/06/80/204220680.db2.gz YWLWQZTVUKWJEM-UHFFFAOYSA-N -1 0 386.473 4.330 50 0 GIAARM CCCCCCSc1nnc(-c2cc(Br)ccc2N)c(=O)[n-]1 ZINC000008723398 204286031 /nfs/dbraw/zinc/28/60/31/204286031.db2.gz LIOOYXXJMSCJKL-UHFFFAOYSA-N -1 0 383.315 4.261 50 0 GIAARM O=C([O-])COc1cccc(NC(=O)CSCc2cccc3ccccc32)c1 ZINC000008906907 204292438 /nfs/dbraw/zinc/29/24/38/204292438.db2.gz UJJCWIKJOZMAAT-UHFFFAOYSA-N -1 0 381.453 4.175 50 0 GIAARM COc1ccccc1[C@@H](c1sc2nc(C)nn2c1[O-])N(C)Cc1ccccc1 ZINC000036066070 204304534 /nfs/dbraw/zinc/30/45/34/204304534.db2.gz MBJLUUSOPLWCBO-SFHVURJKSA-N -1 0 394.500 4.035 50 0 GIAARM Cc1nc([N-]c2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)nc2ccccc12 ZINC000009357562 204308286 /nfs/dbraw/zinc/30/82/86/204308286.db2.gz ARZIQRABMBRULR-MRXNPFEDSA-N -1 0 381.439 4.385 50 0 GIAARM O=C([O-])C1CCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)CC1 ZINC000009481864 204312651 /nfs/dbraw/zinc/31/26/51/204312651.db2.gz VVQPCURHNMUHQO-UHFFFAOYSA-N -1 0 382.847 4.150 50 0 GIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)s1 ZINC000009686808 204321365 /nfs/dbraw/zinc/32/13/65/204321365.db2.gz UVESLISARKYHJH-UHFFFAOYSA-N -1 0 397.909 4.218 50 0 GIAARM O=C([O-])c1ccccc1C(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1 ZINC000012138547 204374267 /nfs/dbraw/zinc/37/42/67/204374267.db2.gz GVUZXHMPXKIQAE-UHFFFAOYSA-N -1 0 388.423 4.208 50 0 GIAARM O=S(=O)([N-]c1ccn(Cc2cccc3ccccc32)n1)c1cc(F)ccc1F ZINC000014236120 204529308 /nfs/dbraw/zinc/52/93/08/204529308.db2.gz PRXOVFAPCDKPDV-UHFFFAOYSA-N -1 0 399.422 4.164 50 0 GIAARM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(F)cc1F ZINC000028791170 204881463 /nfs/dbraw/zinc/88/14/63/204881463.db2.gz IEERDDFCVWNOIE-UHFFFAOYSA-N -1 0 381.400 4.197 50 0 GIAARM CCOC(=O)C[C@@H](c1ccc(SC)cc1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000072325784 205031463 /nfs/dbraw/zinc/03/14/63/205031463.db2.gz CHIBUXRLZZSEMG-INIZCTEOSA-N -1 0 383.469 4.041 50 0 GIAARM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)cc1 ZINC000045961738 205100159 /nfs/dbraw/zinc/10/01/59/205100159.db2.gz PNQOOKQWZXENFI-UHFFFAOYSA-N -1 0 392.546 4.128 50 0 GIAARM COc1ccc(C(=O)Nc2cccc(/C=C/c3ncc(C(=O)[O-])s3)c2)cc1 ZINC000058343760 205173075 /nfs/dbraw/zinc/17/30/75/205173075.db2.gz RUPGQJSHCABBRM-BJMVGYQFSA-N -1 0 380.425 4.273 50 0 GIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)cc1Cl ZINC000064920239 205200165 /nfs/dbraw/zinc/20/01/65/205200165.db2.gz MRIDQEIXXCMIMU-UHFFFAOYSA-N -1 0 395.893 4.438 50 0 GIAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920183 205200637 /nfs/dbraw/zinc/20/06/37/205200637.db2.gz ANCWINBOAZMQOW-UHFFFAOYSA-N -1 0 375.475 4.039 50 0 GIAARM CCc1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)CCCCC4)cc1 ZINC000065150566 205213455 /nfs/dbraw/zinc/21/34/55/205213455.db2.gz HKICTAVIBASFAN-UHFFFAOYSA-N -1 0 382.485 4.379 50 0 GIAARM 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GIAARM COC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004614491 570387611 /nfs/dbraw/zinc/38/76/11/570387611.db2.gz KHPLQEQAOVFHSZ-KGLIPLIRSA-N -1 0 387.457 4.031 50 0 GIAARM COC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000004614494 570387626 /nfs/dbraw/zinc/38/76/26/570387626.db2.gz KHPLQEQAOVFHSZ-UONOGXRCSA-N -1 0 387.457 4.031 50 0 GIAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)cc1 ZINC000035557290 570396274 /nfs/dbraw/zinc/39/62/74/570396274.db2.gz JDAXPUYEUMKFEG-UHFFFAOYSA-N -1 0 375.475 4.175 50 0 GIAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c1 ZINC000035557196 570396356 /nfs/dbraw/zinc/39/63/56/570396356.db2.gz OTYIVTHNGPNYST-UHFFFAOYSA-N -1 0 389.502 4.483 50 0 GIAARM O=S(=O)([N-]c1ccc(F)c(F)c1)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557270 570396513 /nfs/dbraw/zinc/39/65/13/570396513.db2.gz RYVPAPFSDXVZCV-UHFFFAOYSA-N -1 0 397.428 4.145 50 0 GIAARM O=C([O-])CCCCCNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000001795990 570425475 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CCOc1ccc2nc([N-]S(=O)(=O)c3cccc4cccnc43)sc2c1 ZINC000005234372 570523783 /nfs/dbraw/zinc/52/37/83/570523783.db2.gz SUKVNHBLWLSNSA-UHFFFAOYSA-N -1 0 385.470 4.044 50 0 GIAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(OCCOc2ccccc2)cc1 ZINC000008722873 570537917 /nfs/dbraw/zinc/53/79/17/570537917.db2.gz JHMHDSQECMVZEI-UHFFFAOYSA-N -1 0 377.396 4.095 50 0 GIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(O)cc2)CC(=O)N3)cc1 ZINC000064796827 570547251 /nfs/dbraw/zinc/54/72/51/570547251.db2.gz MDIGNXGZJKIONP-HNNXBMFYSA-N -1 0 395.436 4.302 50 0 GIAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)c1C ZINC000064920438 570591154 /nfs/dbraw/zinc/59/11/54/570591154.db2.gz AJWSDBKDCKUITF-UHFFFAOYSA-N -1 0 389.502 4.483 50 0 GIAARM Cc1cccc2cc3c([N-]S(=O)(=O)c4ccccc4)nn(CC(C)C)c3nc12 ZINC000006800798 570603287 /nfs/dbraw/zinc/60/32/87/570603287.db2.gz ORCDJUWFCFYAHJ-UHFFFAOYSA-N -1 0 394.500 4.350 50 0 GIAARM Cc1cc(C(C)(C)C)ccc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000042783104 570622527 /nfs/dbraw/zinc/62/25/27/570622527.db2.gz ZDYUHLGPGXKXBH-HOTGVXAUSA-N -1 0 377.481 4.134 50 0 GIAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012358822 570645541 /nfs/dbraw/zinc/64/55/41/570645541.db2.gz RUDATBOHQWOJDD-FEHGIAQLSA-N -1 0 392.580 4.478 50 0 GIAARM CCOC(=O)C[C@H](c1ccc(SC)cc1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000072325786 570673897 /nfs/dbraw/zinc/67/38/97/570673897.db2.gz CHIBUXRLZZSEMG-MRXNPFEDSA-N -1 0 383.469 4.041 50 0 GIAARM CCOC(=O)c1ccc(-c2c(=O)c3c(C)cc([O-])cc3oc2C(F)(F)F)o1 ZINC000005644748 570679295 /nfs/dbraw/zinc/67/92/95/570679295.db2.gz RQUGQVFZQLYYPW-UHFFFAOYSA-N -1 0 382.290 4.263 50 0 GIAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000006887676 570682189 /nfs/dbraw/zinc/68/21/89/570682189.db2.gz VDHJTWKHNLMPCD-UHFFFAOYSA-N -1 0 390.486 4.181 50 0 GIAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000006887673 570682205 /nfs/dbraw/zinc/68/22/05/570682205.db2.gz CZADAUVNEAVPKQ-UHFFFAOYSA-N -1 0 386.473 4.385 50 0 GIAARM Cc1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)C[C@@H](C)CC4)c(F)c1 ZINC000065150535 570711513 /nfs/dbraw/zinc/71/15/13/570711513.db2.gz NUQROVNMLXKSCY-JTQLQIEISA-N -1 0 386.448 4.120 50 0 GIAARM Cc1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)C[C@@H](C)CC4)cc1F ZINC000065150428 570711598 /nfs/dbraw/zinc/71/15/98/570711598.db2.gz XIEPSPGVEMVCAY-VIFPVBQESA-N -1 0 386.448 4.120 50 0 GIAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000018995414 570715118 /nfs/dbraw/zinc/71/51/18/570715118.db2.gz PJUIXFFNLJDZLQ-UHFFFAOYSA-N -1 0 399.799 4.008 50 0 GIAARM CCOC(=O)c1c(C2CC2)csc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000013249670 570751560 /nfs/dbraw/zinc/75/15/60/570751560.db2.gz WADHVIFRFDMHSS-UHFFFAOYSA-N -1 0 379.478 4.166 50 0 GIAARM CC(C)(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000025473666 570753414 /nfs/dbraw/zinc/75/34/14/570753414.db2.gz NZONSSDSGYIZNB-UHFFFAOYSA-N -1 0 384.860 4.265 50 0 GIAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000007053378 570774448 /nfs/dbraw/zinc/77/44/48/570774448.db2.gz QCMCOHXGFXSKGE-UHFFFAOYSA-N -1 0 384.295 4.184 50 0 GIAARM CC(C)C[C@H](NC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)[O-] ZINC000005859347 570797687 /nfs/dbraw/zinc/79/76/87/570797687.db2.gz PCKSMOJFYTZEIK-MHZGPWMTSA-N -1 0 399.531 4.149 50 0 GIAARM Cc1c(Cl)cccc1-n1ncc2c1NC(=O)C[C@@H]2c1ccc(C(=O)[O-])cc1 ZINC000065331399 570801699 /nfs/dbraw/zinc/80/16/99/570801699.db2.gz QIIJZKWPMAOEID-CQSZACIVSA-N -1 0 381.819 4.006 50 0 GIAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)OC)C1 ZINC000005950858 570808303 /nfs/dbraw/zinc/80/83/03/570808303.db2.gz IAUAGMCWMUGRKK-GFCCVEGCSA-N -1 0 395.521 4.269 50 0 GIAARM O=C(CCn1c(=O)c2oc3ccccc3c2[n-]c1=S)Nc1ccc(Cl)cc1 ZINC000101276945 570818463 /nfs/dbraw/zinc/81/84/63/570818463.db2.gz DQQPIURKFTZJHA-UHFFFAOYSA-N -1 0 399.859 4.487 50 0 GIAARM Cc1cc(C)cc(NC(=O)c2c([O-])c3cccnc3n(Cc3ccccc3)c2=O)c1 ZINC000101722916 570830369 /nfs/dbraw/zinc/83/03/69/570830369.db2.gz ANBHHWDPCQFMFB-UHFFFAOYSA-N -1 0 399.450 4.020 50 0 GIAARM CCn1cc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2C)cn1 ZINC000033169132 570834565 /nfs/dbraw/zinc/83/45/65/570834565.db2.gz KRKLBWDTKPAAPE-UHFFFAOYSA-N -1 0 398.513 4.289 50 0 GIAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000007428366 570842102 /nfs/dbraw/zinc/84/21/02/570842102.db2.gz PSFCOECYXHOJKK-UHFFFAOYSA-N -1 0 389.498 4.414 50 0 GIAARM CCCCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000033253847 570861769 /nfs/dbraw/zinc/86/17/69/570861769.db2.gz NKZMANPLRWWENC-UHFFFAOYSA-N -1 0 390.505 4.039 50 0 GIAARM COc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccc3ccccc3c2)[nH]n1 ZINC000170609163 570865667 /nfs/dbraw/zinc/86/56/67/570865667.db2.gz WFKWWHREZCPNIA-UHFFFAOYSA-N -1 0 379.441 4.039 50 0 GIAARM O=S(=O)([N-]c1cnc(-c2ccccc2)nc1)c1ccc(Cl)c(Cl)c1 ZINC000012583351 570880009 /nfs/dbraw/zinc/88/00/09/570880009.db2.gz WNQFWBKTSNSOTI-UHFFFAOYSA-N -1 0 380.256 4.251 50 0 GIAARM CC(C)OC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CCCC(=O)[O-] ZINC000005727279 570904651 /nfs/dbraw/zinc/90/46/51/570904651.db2.gz ZYSMMUGGIRKQKF-UHFFFAOYSA-N -1 0 393.436 4.313 50 0 GIAARM Cc1cccc(C[C@H](CC(=O)[O-])C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000004581069 570911532 /nfs/dbraw/zinc/91/15/32/570911532.db2.gz SAJAGBCAFKVXTR-CQSZACIVSA-N -1 0 381.350 4.166 50 0 GIAARM COc1ccc(Nc2nc(=NNc3ccccc3C)[n-]c(C)c2[N+](=O)[O-])cc1 ZINC000004587471 570922557 /nfs/dbraw/zinc/92/25/57/570922557.db2.gz BUEJYHCZKNLYOT-UHFFFAOYSA-N -1 0 380.408 4.193 50 0 GIAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccccc1C ZINC000263615181 570951819 /nfs/dbraw/zinc/95/18/19/570951819.db2.gz BAIBUJRJWIYOFB-UHFFFAOYSA-N -1 0 387.482 4.311 50 0 GIAARM CCSc1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2s1 ZINC000033298857 570962885 /nfs/dbraw/zinc/96/28/85/570962885.db2.gz SZBXPAMTHONIRN-UHFFFAOYSA-N -1 0 386.470 4.487 50 0 GIAARM Cc1cc(S(=O)(=O)[N-]c2cccc3cccnc32)ccc1Br ZINC000007709474 571019579 /nfs/dbraw/zinc/01/95/79/571019579.db2.gz CPDPVMARZRAUJQ-UHFFFAOYSA-N -1 0 377.263 4.107 50 0 GIAARM CCc1cc2c(cc1OCC(=O)[O-])oc(C)c(-c1nc3ccccc3s1)c2=O ZINC000001296566 817376352 /nfs/dbraw/zinc/37/63/52/817376352.db2.gz OBTLGMHEQZMZPW-UHFFFAOYSA-N -1 0 395.436 4.404 50 0 GIAARM CCn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c([O-])c2ccccc21 ZINC000002291603 817382497 /nfs/dbraw/zinc/38/24/97/817382497.db2.gz OXCWRDAYEHEJAG-UHFFFAOYSA-N -1 0 377.227 4.286 50 0 GIAARM CCCCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccs1 ZINC000002416853 817387774 /nfs/dbraw/zinc/38/77/74/817387774.db2.gz ARLOLWZLRYANFW-UHFFFAOYSA-N -1 0 390.534 4.484 50 0 GIAARM COc1cc(-c2nc3ccccc3s2)cc(Br)c1OCC(=O)[O-] ZINC000002848315 817403354 /nfs/dbraw/zinc/40/33/54/817403354.db2.gz VKGGBLHFFRIHKZ-UHFFFAOYSA-N -1 0 394.246 4.198 50 0 GIAARM O=C(CCCCn1c(=O)c2sccc2[n-]c1=S)NCCC1=CCCCC1 ZINC000002925456 817406106 /nfs/dbraw/zinc/40/61/06/817406106.db2.gz HAXIDHZCXDBUPQ-UHFFFAOYSA-N -1 0 391.562 4.298 50 0 GIAARM O=S(=O)([N-]c1nc2ccccc2nc1NC1CCCCC1)c1ccccc1 ZINC000003169536 817419800 /nfs/dbraw/zinc/41/98/00/817419800.db2.gz UUYBKAGYSYXLMP-UHFFFAOYSA-N -1 0 382.489 4.175 50 0 GIAARM CCCCCn1c(=O)c(C(=O)Nc2ccc(F)c(F)c2)c([O-])c2ccccc21 ZINC000005825069 817619978 /nfs/dbraw/zinc/61/99/78/817619978.db2.gz RILHXGLSODTHSP-UHFFFAOYSA-N -1 0 386.398 4.428 50 0 GIAARM CCCCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000007814363 817923093 /nfs/dbraw/zinc/92/30/93/817923093.db2.gz KJHOIIOENCJOIK-UHFFFAOYSA-N -1 0 376.478 4.015 50 0 GIAARM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000008132521 818005314 /nfs/dbraw/zinc/00/53/14/818005314.db2.gz GHCBGJDDWLVINA-UHFFFAOYSA-N -1 0 384.295 4.184 50 0 GIAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c(C)c1SCC(=O)Nc1ccc(F)cc1 ZINC000027490428 820253159 /nfs/dbraw/zinc/25/31/59/820253159.db2.gz GSEFJCNDMQVEQP-UHFFFAOYSA-N -1 0 399.447 4.057 50 0 GIAARM COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)c2cccs2)cn1 ZINC000041616031 821214792 /nfs/dbraw/zinc/21/47/92/821214792.db2.gz KILJDCSTGZDXAZ-UHFFFAOYSA-N -1 0 376.459 4.053 50 0 GIAARM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)s3)ccc2[nH]1 ZINC000182497472 822267973 /nfs/dbraw/zinc/26/79/73/822267973.db2.gz VOCYBHCAZWXEMH-UHFFFAOYSA-N -1 0 390.530 4.250 50 0 GIAARM Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)c1Cl ZINC000179981596 822590092 /nfs/dbraw/zinc/59/00/92/822590092.db2.gz YYYOJKFUGWFRMS-HNNXBMFYSA-N -1 0 391.880 4.177 50 0 GIAARM CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(C(=O)[O-])cc3)n2)s1 ZINC000002878858 206249416 /nfs/dbraw/zinc/24/94/16/206249416.db2.gz JOAXMWDTALNZFE-UHFFFAOYSA-N -1 0 388.474 4.365 50 0 in-vitro GIAARM COc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1OC ZINC000000999574 206291303 /nfs/dbraw/zinc/29/13/03/206291303.db2.gz FELCZJPVKOMVNP-UHFFFAOYSA-N -1 0 388.217 4.380 50 0 GIAARM COc1ccccc1COc1ccc2c(C)c(CCC(=O)[O-])c(=O)oc2c1C ZINC000004044030 206293927 /nfs/dbraw/zinc/29/39/27/206293927.db2.gz RUBSNRMGHFYHBF-UHFFFAOYSA-N -1 0 382.412 4.015 50 0 GIAARM COc1ccc2cc(/C=C(/C(=O)[O-])c3nc4ccccc4[nH]3)c(Cl)nc2c1 ZINC000033463065 206303245 /nfs/dbraw/zinc/30/32/45/206303245.db2.gz VGFVZVQLAFFWPI-NTEUORMPSA-N -1 0 379.803 4.398 50 0 GIAARM CC1(C)SC[C@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002550637 206305345 /nfs/dbraw/zinc/30/53/45/206305345.db2.gz UPFXVBZXMLAMDX-GOSISDBHSA-N -1 0 383.469 4.174 50 0 GIAARM C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000000983126 206338636 /nfs/dbraw/zinc/33/86/36/206338636.db2.gz KTHATVSRPIZXSB-OAHLLOKOSA-N -1 0 398.459 4.118 50 0 GIAARM COc1ccc(Oc2ncccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001043427 206344080 /nfs/dbraw/zinc/34/40/80/206344080.db2.gz SNJWBUSGGWXLEX-UHFFFAOYSA-N -1 0 390.848 4.337 50 0 GIAARM O=S(=O)([N-]c1ccc(Oc2ccc(F)cc2)nc1)c1cccc2cccnc21 ZINC000001046870 206345928 /nfs/dbraw/zinc/34/59/28/206345928.db2.gz ZLXFNRUZSLTMFK-UHFFFAOYSA-N -1 0 395.415 4.362 50 0 GIAARM Cc1ccc(C[C@@H](C(=O)[O-])[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000001080307 206350993 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Cc1ccn2cc(-c3ccc([N-]S(=O)(=O)c4ccccc4Cl)cc3)nc2n1 ZINC000023997129 207285355 /nfs/dbraw/zinc/28/53/55/207285355.db2.gz AWZDCNWMVQJPEO-UHFFFAOYSA-N -1 0 398.875 4.159 50 0 GIAARM CCCCOc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1Cl ZINC000027823885 207331626 /nfs/dbraw/zinc/33/16/26/207331626.db2.gz TYOHPIAGHGUJRD-UHFFFAOYSA-N -1 0 375.277 4.368 50 0 GIAARM CC(C)n1ncc2cc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)cnc21 ZINC000032097960 207392107 /nfs/dbraw/zinc/39/21/07/207392107.db2.gz ZAEBHFNFYHHGEZ-UHFFFAOYSA-N -1 0 385.276 4.120 50 0 GIAARM CCCCc1ccc(NC(=O)c2c([O-])c3c(C)c(C(C)=O)sc3[nH]c2=O)cc1 ZINC000065150542 207839148 /nfs/dbraw/zinc/83/91/48/207839148.db2.gz FPLBGGKHHHRZBU-UHFFFAOYSA-N -1 0 398.484 4.401 50 0 GIAARM O=C([O-])c1cn(-c2ccc(F)cc2)c2c1NC(=O)C[C@H]2c1ccc(Cl)cc1 ZINC000066087839 207878480 /nfs/dbraw/zinc/87/84/80/207878480.db2.gz SOWSUSKNCXPVOE-HNNXBMFYSA-N -1 0 384.794 4.442 50 0 GIAARM Cc1nc2ccc(C(=O)N3CCC[C@@H](c4cccc(C(=O)[O-])c4)C3)cc2s1 ZINC000095352345 208159274 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Cc1nc(-n2[n-]c(C)c(CCC(=O)Nc3c(C)cccc3C)c2=O)sc1C ZINC000101833267 208398787 /nfs/dbraw/zinc/39/87/87/208398787.db2.gz LOQBSUQOQVIWMH-UHFFFAOYSA-N -1 0 384.505 4.148 50 0 GIAARM Cc1nc(-n2[n-]c(C)c(CC(=O)Nc3cccc(Cl)c3C)c2=O)sc1C ZINC000101831619 208399604 /nfs/dbraw/zinc/39/96/04/208399604.db2.gz RJFPGFFEIXQJIR-UHFFFAOYSA-N -1 0 390.896 4.103 50 0 GIAARM Cc1ccc(C)c([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c1 ZINC000016099562 208796201 /nfs/dbraw/zinc/79/62/01/208796201.db2.gz UCQAKLZCTVQTRY-UHFFFAOYSA-N -1 0 376.222 4.145 50 0 GIAARM C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)[O-] ZINC000013579290 208784308 /nfs/dbraw/zinc/78/43/08/208784308.db2.gz SNXBFZSDOQEGRE-PTNGSMBKSA-N -1 0 398.484 4.004 50 0 GIAARM Cc1nc2sc([C@@H](c3ccccc3F)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022627417 208850279 /nfs/dbraw/zinc/85/02/79/208850279.db2.gz HBVYUWPVYHHOAG-GOSISDBHSA-N -1 0 394.475 4.092 50 0 GIAARM CCOc1cc(/C=C\C(=O)c2ccc(SCC(=O)[O-])c(F)c2)ccc1OC ZINC000096765734 520638231 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4.413 50 0 GIAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1F ZINC000002583181 570291539 /nfs/dbraw/zinc/29/15/39/570291539.db2.gz HFDAWMNMWMAJCX-NRFANRHFSA-N -1 0 391.398 4.490 50 0 GIAARM Cc1ccc(-c2csc(NC(=O)CCCC(=O)[O-])c2C(=O)OC(C)C)cc1 ZINC000002754188 570298388 /nfs/dbraw/zinc/29/83/88/570298388.db2.gz VEWNTIDRHTVUPM-UHFFFAOYSA-N -1 0 389.473 4.482 50 0 GIAARM O=C([O-])c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000002998003 570324864 /nfs/dbraw/zinc/32/48/64/570324864.db2.gz LIOUZDRQQCNBOY-UHFFFAOYSA-N -1 0 388.448 4.376 50 0 GIAARM CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000006313741 570376523 /nfs/dbraw/zinc/37/65/23/570376523.db2.gz QZCIQRZZUXUUSD-UHFFFAOYSA-N -1 0 395.484 4.246 50 0 GIAARM CC(C)CCn1c2ccccc2c([O-])c(C(=O)N[C@@H](C)c2ccccc2)c1=O ZINC000100509591 570376959 /nfs/dbraw/zinc/37/69/59/570376959.db2.gz HKOQWHZMXYQFRZ-INIZCTEOSA-N -1 0 378.472 4.244 50 0 GIAARM CCOc1cc(C(=O)[O-])cc(Br)c1OC(=O)c1ccc(Cl)cc1 ZINC000220973231 570390999 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GIAARM CC[C@@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(OC(C)C)cc1 ZINC000005431129 570438894 /nfs/dbraw/zinc/43/88/94/570438894.db2.gz DHJFGHCLOQAWEX-SJKOYZFVSA-N -1 0 375.494 4.122 50 0 GIAARM Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)c(Cl)c1 ZINC000011905630 570446138 /nfs/dbraw/zinc/44/61/38/570446138.db2.gz FZSUJNYTXQZVRR-UHFFFAOYSA-N -1 0 399.903 4.438 50 0 GIAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2c(c1)ncn2CCc1ccccc1 ZINC000006664037 570486763 /nfs/dbraw/zinc/48/67/63/570486763.db2.gz KDRBGKKNXLYSCN-UHFFFAOYSA-N -1 0 379.460 4.109 50 0 GIAARM Cc1ccc(-n2c(=S)[n-]nc2[C@H](C)Cn2cc(Br)cn2)c(C)c1 ZINC000006626969 570509882 /nfs/dbraw/zinc/50/98/82/570509882.db2.gz XDDVJINRMJDBPE-GFCCVEGCSA-N -1 0 392.326 4.309 50 0 GIAARM COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000064670047 570514984 /nfs/dbraw/zinc/51/49/84/570514984.db2.gz FEIOJPBKHCFQLR-UHFFFAOYSA-N -1 0 378.450 4.067 50 0 GIAARM Cc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000002767863 570515252 /nfs/dbraw/zinc/51/52/52/570515252.db2.gz DCWJHSYAUKDKNN-UHFFFAOYSA-N -1 0 396.299 4.347 50 0 GIAARM O=C([O-])[C@@H](CC(=O)Nc1ccc(Br)cc1Cl)c1ccccc1 ZINC000008745276 570540006 /nfs/dbraw/zinc/54/00/06/570540006.db2.gz MEVQJPDYDHDIGC-LBPRGKRZSA-N -1 0 382.641 4.300 50 0 GIAARM CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCC(C)CC3)c([O-])n2n1 ZINC000022853377 570556861 /nfs/dbraw/zinc/55/68/61/570556861.db2.gz DMQHLPGLPDQNQU-MRXNPFEDSA-N -1 0 392.475 4.158 50 0 GIAARM CCc1nc2sc([C@H](c3ccccc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022855041 570557429 /nfs/dbraw/zinc/55/74/29/570557429.db2.gz FDSZWOQYRPXRQA-IBGZPJMESA-N -1 0 390.512 4.207 50 0 GIAARM CCc1ccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3C)ccc2OC)cc1 ZINC000064837368 570558971 /nfs/dbraw/zinc/55/89/71/570558971.db2.gz WZFNILMGAFQYLX-UHFFFAOYSA-N -1 0 386.473 4.330 50 0 GIAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(C)cc3)n2)c1 ZINC000006748964 570567231 /nfs/dbraw/zinc/56/72/31/570567231.db2.gz RAQOJGCIVOYJOD-UHFFFAOYSA-N -1 0 389.411 4.316 50 0 GIAARM CCCCCNC(=O)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000013496836 570579611 /nfs/dbraw/zinc/57/96/11/570579611.db2.gz MCBNMQCJRYPSEE-UHFFFAOYSA-N -1 0 387.549 4.172 50 0 GIAARM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)cc1 ZINC000064920186 570591180 /nfs/dbraw/zinc/59/11/80/570591180.db2.gz DBIYDVHZGOQXGL-UHFFFAOYSA-N -1 0 375.475 4.039 50 0 GIAARM O=C([O-])c1ccccc1NC(=O)c1cccnc1-c1nc2ccccc2s1 ZINC000005482776 570610994 /nfs/dbraw/zinc/61/09/94/570610994.db2.gz VFMOQXWVHKITDP-UHFFFAOYSA-N -1 0 375.409 4.309 50 0 GIAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C(C)(C)C)cc2Cl)C[C@H]1C(=O)[O-] ZINC000042783134 570622680 /nfs/dbraw/zinc/62/26/80/570622680.db2.gz MBGQAMBJZQCCJQ-ZFWWWQNUSA-N -1 0 397.899 4.479 50 0 GIAARM CCCCC(=O)NC([N-]c1ccc(Cl)cn1)(C(F)(F)F)C(F)(F)F ZINC000012419548 570657641 /nfs/dbraw/zinc/65/76/41/570657641.db2.gz RZITYWKRPWBSJN-UHFFFAOYSA-N -1 0 377.716 4.274 50 0 GIAARM COC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)CCCC(=O)[O-] ZINC000005578542 570660430 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Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146713 570277040 /nfs/dbraw/zinc/27/70/40/570277040.db2.gz IMFZADPSILEOQW-UHFFFAOYSA-N -1 0 384.432 4.187 50 0 GIAARM O=C(Nc1ccccc1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006147211 570277097 /nfs/dbraw/zinc/27/70/97/570277097.db2.gz QWKNNBHFOUPJBT-UHFFFAOYSA-N -1 0 385.420 4.271 50 0 GIAARM CCCOc1cccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])c1 ZINC000002909573 570317909 /nfs/dbraw/zinc/31/79/09/570317909.db2.gz IGSWUJGMQSZNMP-UHFFFAOYSA-N -1 0 378.222 4.188 50 0 GIAARM CCCOC(=O)c1c([N-]S(=O)(=O)c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000004289743 570365709 /nfs/dbraw/zinc/36/57/09/570365709.db2.gz BTEJHEDYCLGZHX-CYBMUJFWSA-N -1 0 393.530 4.241 50 0 GIAARM O=C([O-])CSc1c2ccc(C(=O)N3CCCCCC3)cc2nc2c1CCCC2 ZINC000004940194 570376172 /nfs/dbraw/zinc/37/61/72/570376172.db2.gz JTIRGTALYIKGQW-UHFFFAOYSA-N -1 0 398.528 4.307 50 0 GIAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)c(C)s2)no1 ZINC000035539125 570391149 /nfs/dbraw/zinc/39/11/49/570391149.db2.gz 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C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000003914809 570353302 /nfs/dbraw/zinc/35/33/02/570353302.db2.gz RUDATBOHQWOJDD-UZVSRGJWSA-N -1 0 392.580 4.478 50 0 endogenous,fda GIAARM O=C([O-])c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000004019106 570354485 /nfs/dbraw/zinc/35/44/85/570354485.db2.gz DNXRRMFEQFSMIU-DTWKUNHWSA-N -1 0 390.159 4.004 50 0 GIAARM O=C([O-])c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000004019108 570354628 /nfs/dbraw/zinc/35/46/28/570354628.db2.gz DNXRRMFEQFSMIU-IUCAKERBSA-N -1 0 390.159 4.004 50 0 GIAARM O=c1cc(C2CCN(C(=S)Nc3ccccc3)CC2)[n-]n1-c1ccccc1 ZINC000004914637 570363942 /nfs/dbraw/zinc/36/39/42/570363942.db2.gz WXISSHCMLMPFNT-UHFFFAOYSA-N -1 0 378.501 4.154 50 0 GIAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000035511113 570388346 /nfs/dbraw/zinc/38/83/46/570388346.db2.gz MUWQXNOHVBXDPO-UHFFFAOYSA-N -1 0 392.864 4.421 50 0 GIAARM O=C([O-])[C@H](Cc1ccccc1)n1c[n+]([O-])c(-c2ccccc2)c1-c1ccccc1 ZINC000005031230 570400978 /nfs/dbraw/zinc/40/09/78/570400978.db2.gz VEZWFULGMGFIKX-NRFANRHFSA-N -1 0 384.435 4.324 50 0 GIAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000033253922 570403542 /nfs/dbraw/zinc/40/35/42/570403542.db2.gz WDBUWKCDXWXGDI-UHFFFAOYSA-N -1 0 390.505 4.120 50 0 GIAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000237957843 570415515 /nfs/dbraw/zinc/41/55/15/570415515.db2.gz VMKIMHFOZVXPMN-AWEZNQCLSA-N -1 0 390.867 4.031 50 0 GIAARM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)C1 ZINC000237960155 570416406 /nfs/dbraw/zinc/41/64/06/570416406.db2.gz JYIRXMHDVGVVFN-NSHDSACASA-N -1 0 398.937 4.171 50 0 GIAARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000005121340 570420546 /nfs/dbraw/zinc/42/05/46/570420546.db2.gz LHBUNVBXCMDDDA-UHFFFAOYSA-N -1 0 388.670 4.106 50 0 GIAARM Cc1c(OCc2c(F)cccc2Cl)ccc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000005012690 570423777 /nfs/dbraw/zinc/42/37/77/570423777.db2.gz DOEHAAIJLJGLCH-UHFFFAOYSA-N -1 0 390.794 4.408 50 0 GIAARM O=c1oc2ccccc2c2c1[C@@H](c1c(=O)oc3ccccc3c1[O-])c1ncccc1-2 ZINC000006475194 570444672 /nfs/dbraw/zinc/44/46/72/570444672.db2.gz UHEWCMIBQZIOHD-SFHVURJKSA-N -1 0 395.370 4.161 50 0 GIAARM O=C([O-])c1ccc(-c2ccc(C=NNC(=O)Nc3ccccc3)o2)cc1Cl ZINC000252591350 570453606 /nfs/dbraw/zinc/45/36/06/570453606.db2.gz BAFSZDDUBBALAG-UHFFFAOYSA-N -1 0 383.791 4.454 50 0 GIAARM Cc1[nH]c2ccccc2c1/C=C1\SC(=Nc2cccc(C(=O)[O-])c2)N(C)C1=O ZINC000252642911 570455324 /nfs/dbraw/zinc/45/53/24/570455324.db2.gz ZQVSRYBFJWHYRG-DDOGFQLYSA-N -1 0 391.452 4.408 50 0 GIAARM O=C([O-])C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Cc1cccc(Cl)c1 ZINC000118616157 570488652 /nfs/dbraw/zinc/48/86/52/570488652.db2.gz QOSIJVVNNGXEKE-INIZCTEOSA-N -1 0 399.796 4.104 50 0 in-vitro GIAARM Cc1cc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(C(C)C)cc2)CC(=O)N3)no1 ZINC000061719570 570502200 /nfs/dbraw/zinc/50/22/00/570502200.db2.gz WDPDNMWEJHZKCB-OAHLLOKOSA-N -1 0 379.416 4.069 50 0 GIAARM Cc1cccc(-n2c(=S)[n-]nc2[C@@H](C)Cn2cc(Br)cn2)c1C ZINC000006628206 570510322 /nfs/dbraw/zinc/51/03/22/570510322.db2.gz MCLVQZAROPFPLZ-NSHDSACASA-N -1 0 392.326 4.309 50 0 GIAARM CSc1ccc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000064757646 570537112 /nfs/dbraw/zinc/53/71/12/570537112.db2.gz XQSTTWWNEXNLJY-UHFFFAOYSA-N -1 0 389.477 4.487 50 0 GIAARM COC(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])c1 ZINC000009190510 570551686 /nfs/dbraw/zinc/55/16/86/570551686.db2.gz PSJWQHZUJBBMAH-UHFFFAOYSA-N -1 0 375.380 4.091 50 0 GIAARM O=C([O-])c1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000009189856 570551737 /nfs/dbraw/zinc/55/17/37/570551737.db2.gz HQSSAHRRVSYGGT-UHFFFAOYSA-N -1 0 378.359 4.029 50 0 GIAARM CN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(F)cc1 ZINC000064820386 570555436 /nfs/dbraw/zinc/55/54/36/570555436.db2.gz WEVZJFWJPVNEAU-UHFFFAOYSA-N -1 0 378.403 4.413 50 0 GIAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000064837345 570560242 /nfs/dbraw/zinc/56/02/42/570560242.db2.gz NQNGYMVSXVDTOL-UHFFFAOYSA-N -1 0 392.864 4.421 50 0 GIAARM CC(C)Sc1nc2c3c(sc2c(SCC(=O)[O-])n1)CC(C)(C)OC3 ZINC000006759287 570574409 /nfs/dbraw/zinc/57/44/09/570574409.db2.gz OCGFYGUXFBNBMP-UHFFFAOYSA-N -1 0 384.548 4.220 50 0 GIAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1F ZINC000038528704 570580536 /nfs/dbraw/zinc/58/05/36/570580536.db2.gz HFDAWMNMWMAJCX-OAQYLSRUSA-N -1 0 391.398 4.490 50 0 GIAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920158 570591197 /nfs/dbraw/zinc/59/11/97/570591197.db2.gz PJBYKUDEDIZYPZ-UHFFFAOYSA-N -1 0 395.893 4.438 50 0 GIAARM Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000064947313 570604019 /nfs/dbraw/zinc/60/40/19/570604019.db2.gz IXBRZMNMRSTYLV-UHFFFAOYSA-N -1 0 379.844 4.082 50 0 GIAARM O=C([O-])c1ccc(NC(=O)c2cccnc2-c2nc3ccccc3s2)cc1 ZINC000005482931 570610856 /nfs/dbraw/zinc/61/08/56/570610856.db2.gz GSTLLVMLMYRVDP-UHFFFAOYSA-N -1 0 375.409 4.309 50 0 GIAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000033007195 570620001 /nfs/dbraw/zinc/62/00/01/570620001.db2.gz XENINGWFVSXAJW-UHFFFAOYSA-N -1 0 396.896 4.075 50 0 GIAARM Cc1oc2c(cc(NS(=O)(=O)c3ccccc3)c3ccccc23)c1C(=O)[O-] ZINC000005516199 570623660 /nfs/dbraw/zinc/62/36/60/570623660.db2.gz SYYUGSRXHAMVJC-UHFFFAOYSA-N -1 0 381.409 4.393 50 0 GIAARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)c1 ZINC000065004116 570644516 /nfs/dbraw/zinc/64/45/16/570644516.db2.gz MPURGIOUNXFEKL-UHFFFAOYSA-N -1 0 388.470 4.284 50 0 GIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2onc(C)c2C)s1 ZINC000065031355 570652109 /nfs/dbraw/zinc/65/21/09/570652109.db2.gz BNGDPGQXTDVXAR-UHFFFAOYSA-N -1 0 398.893 4.483 50 0 GIAARM CCOC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072325676 570673374 /nfs/dbraw/zinc/67/33/74/570673374.db2.gz XVYAHVODXQFSTO-SFHVURJKSA-N -1 0 395.455 4.106 50 0 GIAARM O=C([O-])Cc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)s1 ZINC000685945111 570675813 /nfs/dbraw/zinc/67/58/13/570675813.db2.gz VUJCZQZDNAMVGY-UHFFFAOYSA-N -1 0 393.464 4.414 50 0 GIAARM Cc1ccc([N-]C(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)[nH+]c1 ZINC000013764850 570675776 /nfs/dbraw/zinc/67/57/76/570675776.db2.gz OJKRRTLNKKVVGO-UHFFFAOYSA-N -1 0 377.288 4.053 50 0 GIAARM C[C@H]([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C(F)(F)F ZINC000012649475 570695170 /nfs/dbraw/zinc/69/51/70/570695170.db2.gz MEKIPVHGUGHMCC-DIFFPNOSSA-N -1 0 393.361 4.177 50 0 GIAARM O=S(=O)([N-]c1cccc(Cl)c1)c1cc(-c2nnc(C3CC3)o2)cs1 ZINC000065098689 570696147 /nfs/dbraw/zinc/69/61/47/570696147.db2.gz ZWTLOXJCNJPRDP-UHFFFAOYSA-N -1 0 381.866 4.130 50 0 GIAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(-c2ccnn2C(C)C)cs1 ZINC000065112507 570701865 /nfs/dbraw/zinc/70/18/65/570701865.db2.gz ULGSKCRZHOVCEE-UHFFFAOYSA-N -1 0 379.482 4.441 50 0 GIAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000001029963 570711609 /nfs/dbraw/zinc/71/16/09/570711609.db2.gz YREAOWPOXFZRSA-UHFFFAOYSA-N -1 0 388.139 4.418 50 0 GIAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2N)c1=O ZINC000585158758 570714049 /nfs/dbraw/zinc/71/40/49/570714049.db2.gz ZQCYVTJZASUORB-UHFFFAOYSA-N -1 0 379.460 4.122 50 0 GIAARM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccc(Br)s1 ZINC000002857932 570721496 /nfs/dbraw/zinc/72/14/96/570721496.db2.gz XWQXXNMSXFYERD-UHFFFAOYSA-N -1 0 386.214 4.330 50 0 GIAARM CCn1nc([N-]S(=O)(=O)c2ccc(C)cc2)c2cc3cccc(C)c3nc21 ZINC000004383816 570725162 /nfs/dbraw/zinc/72/51/62/570725162.db2.gz CTYYFUOWIBMXMU-UHFFFAOYSA-N -1 0 380.473 4.022 50 0 GIAARM COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000004649231 570728652 /nfs/dbraw/zinc/72/86/52/570728652.db2.gz NWLSFIQMVJAOID-UHFFFAOYSA-N -1 0 384.613 4.062 50 0 GIAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCCC3)o2)o1 ZINC000065246471 570747674 /nfs/dbraw/zinc/74/76/74/570747674.db2.gz MRCOCRNXMNELKY-UHFFFAOYSA-N -1 0 391.424 4.236 50 0 GIAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc1 ZINC000064845298 570756614 /nfs/dbraw/zinc/75/66/14/570756614.db2.gz KUNMPSIDZQXQBQ-UHFFFAOYSA-N -1 0 390.486 4.332 50 0 GIAARM O=C([O-])CCN(CC(F)(F)F)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000309573050 570792399 /nfs/dbraw/zinc/79/23/99/570792399.db2.gz CFKJVALKUVYMJE-UHFFFAOYSA-N -1 0 393.361 4.275 50 0 GIAARM Cc1cccc(-c2ccc(C(=O)[O-])c(N3Cc4cnc(CC(C)C)nc4C3)n2)c1 ZINC000067973998 570798985 /nfs/dbraw/zinc/79/89/85/570798985.db2.gz XDWDZDVJIBVENV-UHFFFAOYSA-N -1 0 388.471 4.264 50 0 GIAARM CCCSc1n[n-]c2nc3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3 ZINC000101157594 570815017 /nfs/dbraw/zinc/81/50/17/570815017.db2.gz IBCDKXWQXSLSDK-UHFFFAOYSA-N -1 0 380.517 4.345 50 0 GIAARM CCn1c(=O)c(-c2nc(-c3ccc(F)c(Cl)c3)no2)c([O-])c2ccccc21 ZINC000101725426 570831337 /nfs/dbraw/zinc/83/13/37/570831337.db2.gz ZXHSKSUABFIBAR-UHFFFAOYSA-N -1 0 385.782 4.237 50 0 GIAARM Cc1[n-]n(-c2ccccc2)c2ncc(C(=O)Nc3ccc(F)c(Cl)c3)c(=O)c1-2 ZINC000007424058 570841062 /nfs/dbraw/zinc/84/10/62/570841062.db2.gz KGWUZNRAFAMZPE-UHFFFAOYSA-N -1 0 396.809 4.067 50 0 GIAARM Cc1nn2c([n-]1)nc(=O)c1c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC000102632142 570855079 /nfs/dbraw/zinc/85/50/79/570855079.db2.gz VHRRSQKICPZTLT-HNNXBMFYSA-N -1 0 393.422 4.128 50 0 GIAARM O=C(Nc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1)C1CC1 ZINC000012604830 570888119 /nfs/dbraw/zinc/88/81/19/570888119.db2.gz JBGGTPLUBORKFH-UHFFFAOYSA-N -1 0 385.272 4.143 50 0 GIAARM CC[C@@]1(C)CCCN(C(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)C1 ZINC000192966719 570896476 /nfs/dbraw/zinc/89/64/76/570896476.db2.gz FNFWRUSMZQBXRH-QHCPKHFHSA-N -1 0 397.519 4.159 50 0 GIAARM CC(C)(C)NC(=O)c1ccccc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000104766938 570905072 /nfs/dbraw/zinc/90/50/72/570905072.db2.gz BMBQKYHDEIVVSC-OUKQBFOZSA-N -1 0 392.908 4.281 50 0 GIAARM Cc1cccc(C[C@@H](CC(=O)[O-])C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000004581067 570911446 /nfs/dbraw/zinc/91/14/46/570911446.db2.gz SAJAGBCAFKVXTR-AWEZNQCLSA-N -1 0 381.350 4.166 50 0 GIAARM Cc1cc(OCCSc2nc3ccccc3n2CC(=O)[O-])ccc1Cl ZINC000012062267 570958116 /nfs/dbraw/zinc/95/81/16/570958116.db2.gz FGSWMMRHNQEBQB-UHFFFAOYSA-N -1 0 376.865 4.254 50 0 GIAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000001636275 570986476 /nfs/dbraw/zinc/98/64/76/570986476.db2.gz RUDATBOHQWOJDD-IBPSFJFBSA-N -1 0 392.580 4.478 50 0 GIAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccnc2Oc2cccc(C)c2C)c1 ZINC000084219280 571009987 /nfs/dbraw/zinc/00/99/87/571009987.db2.gz KHCQQIAQOCOOGB-UHFFFAOYSA-N -1 0 396.468 4.494 50 0 GIAARM Cc1nn(-c2cccc(F)c2)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046057726 571017842 /nfs/dbraw/zinc/01/78/42/571017842.db2.gz BXBPTTPDSVUKIK-MRXNPFEDSA-N -1 0 389.386 4.375 50 0 GIAARM COc1ccc(OCc2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2)cc1 ZINC000000754684 817373558 /nfs/dbraw/zinc/37/35/58/817373558.db2.gz COEITFNDRGRKQN-UHFFFAOYSA-N -1 0 377.396 4.225 50 0 GIAARM CCCCCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000002323015 817384359 /nfs/dbraw/zinc/38/43/59/817384359.db2.gz FTMWESTXFGTZHS-UHFFFAOYSA-N -1 0 398.890 4.481 50 0 GIAARM CCn1cc(Cl)c(-c2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)n1 ZINC000002731250 817398882 /nfs/dbraw/zinc/39/88/82/817398882.db2.gz YNFXLEGYIZBXOF-UHFFFAOYSA-N -1 0 385.884 4.063 50 0 GIAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000003325673 817436924 /nfs/dbraw/zinc/43/69/24/817436924.db2.gz LBDZWCACOTUTKO-UHFFFAOYSA-N -1 0 396.306 4.137 50 0 GIAARM COC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Cl ZINC000008092204 817998953 /nfs/dbraw/zinc/99/89/53/817998953.db2.gz DIDAXWYSYXBSBB-UHFFFAOYSA-N -1 0 394.663 4.234 50 0 GIAARM [O-]c1c([C@H](c2ccco2)N2CCC(Cc3ccccc3)CC2)sc2ncnn12 ZINC000022610046 818832511 /nfs/dbraw/zinc/83/25/11/818832511.db2.gz YMELEISHTHTXSF-SFHVURJKSA-N -1 0 394.500 4.134 50 0 GIAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3c(ccc(Cl)c3C)s2)cc1 ZINC000027698781 820277269 /nfs/dbraw/zinc/27/72/69/820277269.db2.gz UQDCTYNDTMQNCR-UHFFFAOYSA-N -1 0 395.893 4.017 50 0 GIAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2NC(=O)c2ccco2)s1 ZINC000032098315 820898012 /nfs/dbraw/zinc/89/80/12/820898012.db2.gz HKJIKCJIMZFOMH-UHFFFAOYSA-N -1 0 396.877 4.356 50 0 GIAARM Cc1c(C(=O)[O-])sc2[nH]c(C=Cc3cccc(Cl)c3Cl)nc(=O)c12 ZINC000033499645 821056919 /nfs/dbraw/zinc/05/69/19/821056919.db2.gz JWTBLUOZKIBVLV-WAYWQWQTSA-N -1 0 381.240 4.468 50 0 GIAARM COc1ccccc1[C@@H]1CC(=O)Nc2c(C(=O)[O-])cn(-c3ccc(F)cc3)c21 ZINC000040266458 821154391 /nfs/dbraw/zinc/15/43/91/821154391.db2.gz PGTZVJTWNKQKHF-HNNXBMFYSA-N -1 0 380.375 4.447 50 0 GIAARM CCC[C@@H]1CCCN(C(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)C1 ZINC000191620668 823716039 /nfs/dbraw/zinc/71/60/39/823716039.db2.gz GNEPOSJRJAPGCY-GOSISDBHSA-N -1 0 397.519 4.159 50 0 GIAARM C[Si](C)(C)CCCC1C(=O)N=C(SCC(=O)c2ccccc2)N=C1[O-] ZINC000169794752 823917105 /nfs/dbraw/zinc/91/71/05/823917105.db2.gz OAZKXRPZUOBWOY-UHFFFAOYSA-N -1 0 376.554 4.134 50 0 GIAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253529467 206284353 /nfs/dbraw/zinc/28/43/53/206284353.db2.gz DGABKXLVXPYZII-FLGGUWGRSA-N -1 0 392.580 4.478 50 0 GIAARM COc1ccc(-c2coc3c2cc2c(C)c(CC(=O)[O-])c(=O)oc2c3C)cc1 ZINC000002091233 206291838 /nfs/dbraw/zinc/29/18/38/206291838.db2.gz RLURSWVYKIBSLE-UHFFFAOYSA-N -1 0 378.380 4.459 50 0 GIAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c1 ZINC000004179856 206293166 /nfs/dbraw/zinc/29/31/66/206293166.db2.gz XEWVAOAIFNTVEG-UHFFFAOYSA-N -1 0 388.217 4.380 50 0 GIAARM COc1cc(OC)c(OC)cc1/C=C(/CC(=O)[O-])c1nc2ccccc2s1 ZINC000096767460 206302087 /nfs/dbraw/zinc/30/20/87/206302087.db2.gz FVPCYMNIIXFNDX-JYRVWZFOSA-N -1 0 385.441 4.337 50 0 GIAARM CCOc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1ccccc1Cl ZINC000000807756 206323090 /nfs/dbraw/zinc/32/30/90/206323090.db2.gz CSMLGTQGZUZHCO-QAPCUYQASA-N -1 0 393.892 4.106 50 0 GIAARM O=C([O-])CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000000834889 206326143 /nfs/dbraw/zinc/32/61/43/206326143.db2.gz QFKPRWFXMVMVSF-UHFFFAOYSA-N -1 0 380.256 4.418 50 0 GIAARM CCCCN1Cc2cc(C(=O)c3cc(Cl)cc(Cl)c3[O-])cnc2NC1=O ZINC000009644636 206333969 /nfs/dbraw/zinc/33/39/69/206333969.db2.gz IKQOEYQPIMYABJ-UHFFFAOYSA-N -1 0 394.258 4.473 50 0 GIAARM Cc1cc(=O)oc2cc([N-]S(=O)(=O)c3ccc(-c4ccccn4)s3)ccc12 ZINC000001033390 206342897 /nfs/dbraw/zinc/34/28/97/206342897.db2.gz WLCBFINVXPFZNG-UHFFFAOYSA-N -1 0 398.465 4.026 50 0 GIAARM COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CCCC(=O)[O-] ZINC000001139782 206358831 /nfs/dbraw/zinc/35/88/31/206358831.db2.gz AOKGPWISCLGFPH-UHFFFAOYSA-N -1 0 375.446 4.012 50 0 GIAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000001157933 206361234 /nfs/dbraw/zinc/36/12/34/206361234.db2.gz JQQOYHLMQIIFNE-UHFFFAOYSA-N -1 0 376.437 4.179 50 0 GIAARM O=C([O-])[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OCc1ccccc1 ZINC000002389775 206413932 /nfs/dbraw/zinc/41/39/32/206413932.db2.gz ZZIBVIHXEMIHEQ-OAQYLSRUSA-N -1 0 375.424 4.276 50 0 GIAARM Cc1cccc(Oc2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)cc2)c1 ZINC000002861917 206442623 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O=S(=O)([N-]c1ccccc1CCc1nc2ccccc2[nH]1)c1ccccc1F ZINC000021357256 207229957 /nfs/dbraw/zinc/22/99/57/207229957.db2.gz IGNGKAICDNBKSS-UHFFFAOYSA-N -1 0 395.459 4.288 50 0 GIAARM Cc1cc(=O)c(C(=O)[O-])c2n1-c1ccccc1S[C@@H](c1ccc(F)cc1)C2 ZINC000022023375 207244935 /nfs/dbraw/zinc/24/49/35/207244935.db2.gz MBEDMOIQKPCTNI-LJQANCHMSA-N -1 0 381.428 4.373 50 0 GIAARM O=c1[n-]c(SCc2cc(-c3ccccc3)on2)nnc1-c1ccc(F)c(F)c1 ZINC000024747944 207294511 /nfs/dbraw/zinc/29/45/11/207294511.db2.gz YXNXHJODEHAIDV-UHFFFAOYSA-N -1 0 398.394 4.470 50 0 GIAARM O=C([N-]n1c(=O)c2ccccc2nc1C1CCCCC1)c1c(F)cccc1F ZINC000027528414 207327383 /nfs/dbraw/zinc/32/73/83/207327383.db2.gz ISAYMRXLVXQHEW-UHFFFAOYSA-N -1 0 383.398 4.106 50 0 GIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(-c3ccno3)s2)c1 ZINC000065031176 207828381 /nfs/dbraw/zinc/82/83/81/207828381.db2.gz HVKFOKGDXOKCTL-UHFFFAOYSA-N -1 0 394.474 4.001 50 0 GIAARM CCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000065112433 207833826 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GIAARM O=C([O-])CN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000004731422 570398835 /nfs/dbraw/zinc/39/88/35/570398835.db2.gz KDDBPCKYRYGKHD-QHCPKHFHSA-N -1 0 382.419 4.465 50 0 GIAARM O=C([O-])[C@@H](Cc1ccccc1)n1c[n+]([O-])c(-c2ccccc2)c1-c1ccccc1 ZINC000005031235 570401092 /nfs/dbraw/zinc/40/10/92/570401092.db2.gz VEZWFULGMGFIKX-OAQYLSRUSA-N -1 0 384.435 4.324 50 0 GIAARM O=C([O-])[C@H]1CCN(C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)C1 ZINC000238104838 570425590 /nfs/dbraw/zinc/42/55/90/570425590.db2.gz GLBNGEILKGBZPF-LURJTMIESA-N -1 0 378.664 4.408 50 0 GIAARM O=C([O-])[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccccc1 ZINC000072265540 570430307 /nfs/dbraw/zinc/43/03/07/570430307.db2.gz IBAIQZODUZLBDA-SFHVURJKSA-N -1 0 388.452 4.247 50 0 GIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000003581315 570472521 /nfs/dbraw/zinc/47/25/21/570472521.db2.gz CCUCSLCQCVHFIH-UHFFFAOYSA-N -1 0 390.686 4.220 50 0 GIAARM Cc1nn(CCc2n[n-]c(=S)n2-c2ccc(C)cc2)c(C)c1Br ZINC000006390866 570478762 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209259093 /nfs/dbraw/zinc/25/90/93/209259093.db2.gz LZDDNSGQSNAPAU-UHFFFAOYSA-N -1 0 394.924 4.286 50 0 GIAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2Cl)cc1 ZINC000000640413 209254220 /nfs/dbraw/zinc/25/42/20/209254220.db2.gz LLKQKCCRFFDUFP-UHFFFAOYSA-N -1 0 392.908 4.075 50 0 GIAARM Cc1cccc(-n2c(CC3N=NC(=S)N3c3cccc(C)c3)n[n-]c2=S)c1 ZINC000000624751 209251734 /nfs/dbraw/zinc/25/17/34/209251734.db2.gz ALJBYRKCIRHETO-UHFFFAOYSA-N -1 0 394.529 4.007 50 0 GIAARM CN(Cc1cscn1)Cc1cc(-c2ccc(F)cc2)ccc1OCC(=O)[O-] ZINC000299768482 212032739 /nfs/dbraw/zinc/03/27/39/212032739.db2.gz OWVKIJJNXRNRLD-UHFFFAOYSA-N -1 0 386.448 4.045 50 0 GIAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(Br)c(Br)c1 ZINC000000641846 209166305 /nfs/dbraw/zinc/16/63/05/209166305.db2.gz TWSIMMVTEANXKS-UHFFFAOYSA-N -1 0 399.038 4.162 50 0 GIAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)c1 ZINC000006146679 211626188 /nfs/dbraw/zinc/62/61/88/211626188.db2.gz FBFNJZQPYAIIHC-UHFFFAOYSA-N -1 0 386.517 4.167 50 0 GIAARM 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570546756 /nfs/dbraw/zinc/54/67/56/570546756.db2.gz KXLIKRFIHIQWBX-CQSZACIVSA-N -1 0 383.400 4.432 50 0 GIAARM O=C([O-])[C@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 ZINC000009136790 570550281 /nfs/dbraw/zinc/55/02/81/570550281.db2.gz YQLAWVGHSFFDCG-AWEZNQCLSA-N -1 0 382.847 4.150 50 0 GIAARM CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCCCC3)c([O-])n2n1 ZINC000022853031 570556496 /nfs/dbraw/zinc/55/64/96/570556496.db2.gz CVNUCEWFFZCYNR-HNNXBMFYSA-N -1 0 376.913 4.288 50 0 GIAARM Cc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c(C(=O)[O-])c1 ZINC000009581528 570559834 /nfs/dbraw/zinc/55/98/34/570559834.db2.gz HQIMPWHGFFRACQ-UHFFFAOYSA-N -1 0 380.425 4.259 50 0 GIAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)c1 ZINC000064845500 570565700 /nfs/dbraw/zinc/56/57/00/570565700.db2.gz DSAGXRZTSAIMIP-UHFFFAOYSA-N -1 0 390.486 4.332 50 0 GIAARM COc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(C)cc3)n2)c(OC)c1 ZINC000006748960 570567243 /nfs/dbraw/zinc/56/72/43/570567243.db2.gz OPHTXAVOLSVCEJ-UHFFFAOYSA-N -1 0 389.411 4.316 50 0 GIAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920236 570590924 /nfs/dbraw/zinc/59/09/24/570590924.db2.gz ODKXQRXWMUOOGA-UHFFFAOYSA-N -1 0 395.893 4.438 50 0 GIAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000064979517 570623913 /nfs/dbraw/zinc/62/39/13/570623913.db2.gz UZFJLSKMQKRGSR-UHFFFAOYSA-N -1 0 378.837 4.113 50 0 GIAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)cc1 ZINC000065004004 570644578 /nfs/dbraw/zinc/64/45/78/570644578.db2.gz UBWUEROPMYZZLS-UHFFFAOYSA-N -1 0 376.459 4.090 50 0 GIAARM Cc1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)C(=O)[N-]C2=S)cc1 ZINC000005600298 570666963 /nfs/dbraw/zinc/66/69/63/570666963.db2.gz MTXHRRDNQNGTCN-UKTHLTGXSA-N -1 0 391.279 4.133 50 0 GIAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006880674 570671097 /nfs/dbraw/zinc/67/10/97/570671097.db2.gz QMNNGOVGDBTWOT-VXGBXAGGSA-N -1 0 381.272 4.330 50 0 GIAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1ccc(F)cc1 ZINC000239762535 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COc1ccc([C@@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000003883257 570352942 /nfs/dbraw/zinc/35/29/42/570352942.db2.gz WOHZWTZTQYRNHE-LEWJYISDSA-N -1 0 379.456 4.393 50 0 GIAARM CC(C)CCNC(=O)c1ccc2c(c1)nc1c(c2SCC(=O)[O-])CCCC1 ZINC000004885252 570354950 /nfs/dbraw/zinc/35/49/50/570354950.db2.gz XMHKYVPBQFXGDE-UHFFFAOYSA-N -1 0 386.517 4.066 50 0 GIAARM O=S(=O)([N-]c1ccccc1-c1cn2c(n1)CCCC2)c1ccccc1Cl ZINC000575618432 570363434 /nfs/dbraw/zinc/36/34/34/570363434.db2.gz BIYSQPIZSLTHMT-UHFFFAOYSA-N -1 0 387.892 4.341 50 0 GIAARM Cn1c2ccccc2nc1-c1cccc(NC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000064051937 570374857 /nfs/dbraw/zinc/37/48/57/570374857.db2.gz DRGUEHJFRNJXAO-UHFFFAOYSA-N -1 0 379.366 4.476 50 0 GIAARM CCc1nnsc1C(=O)[N-]c1c2ccccc2oc1C(=O)Nc1ccccc1 ZINC000004941911 570377246 /nfs/dbraw/zinc/37/72/46/570377246.db2.gz LMCSGWGUQIYAFX-UHFFFAOYSA-N -1 0 392.440 4.351 50 0 GIAARM O=C([O-])C[C@H](CC(=O)Nc1nnc(C2CC2)s1)c1ccc(C(F)(F)F)cc1 ZINC000004481318 570377746 /nfs/dbraw/zinc/37/77/46/570377746.db2.gz XVFAFPBAPVPWOC-NSHDSACASA-N -1 0 399.394 4.021 50 0 GIAARM O=C([O-])CSc1nnc(-c2ccccc2Br)n1C1CCCCC1 ZINC000004558351 570384799 /nfs/dbraw/zinc/38/47/99/570384799.db2.gz ZJLMVVXKDHYAJJ-UHFFFAOYSA-N -1 0 396.310 4.390 50 0 GIAARM O=C([O-])c1cc(NCc2ccc(Cl)c(Cl)c2)ccc1N1CCOCC1 ZINC000004705133 570396159 /nfs/dbraw/zinc/39/61/59/570396159.db2.gz QAIUPRWIUZENKT-UHFFFAOYSA-N -1 0 381.259 4.140 50 0 GIAARM COc1ccc(OC)c(-c2nc(Nc3ccccc3F)sc2CC(=O)[O-])c1 ZINC000005023170 570400386 /nfs/dbraw/zinc/40/03/86/570400386.db2.gz OXOBCJRBKXIDPF-UHFFFAOYSA-N -1 0 388.420 4.337 50 0 GIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1C(N)=O ZINC000004809538 570407074 /nfs/dbraw/zinc/40/70/74/570407074.db2.gz UWDCZFYGXFULOG-UHFFFAOYSA-N -1 0 398.509 4.046 50 0 GIAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000238065576 570423033 /nfs/dbraw/zinc/42/30/33/570423033.db2.gz ZWPPKRKNQRWWNT-ZWKOTPCHSA-N -1 0 383.875 4.089 50 0 GIAARM Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccc(C)cc4n3)c2)cc1 ZINC000006485589 570449002 /nfs/dbraw/zinc/44/90/02/570449002.db2.gz BDKJXLZMTAIWCT-UHFFFAOYSA-N -1 0 377.469 4.419 50 0 GIAARM Cc1cc(C)n(Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)n1 ZINC000006502351 570459754 /nfs/dbraw/zinc/45/97/54/570459754.db2.gz NLHYZORZAXOUHF-UHFFFAOYSA-N -1 0 381.910 4.064 50 0 GIAARM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](Cc2ccc(F)cc2)[C@@H]1C(=O)[O-] ZINC000601013337 570520202 /nfs/dbraw/zinc/52/02/02/570520202.db2.gz CSMVBQYRWYCPQX-RBUKOAKNSA-N -1 0 385.435 4.356 50 0 GIAARM CCC[C@H](C)NC(=O)[C@H](Cc1ccccc1)n1c(=O)c2ccccc2[n-]c1=S ZINC000005266805 570533896 /nfs/dbraw/zinc/53/38/96/570533896.db2.gz WCECZACNIOFGAX-KXBFYZLASA-N -1 0 395.528 4.148 50 0 GIAARM Cc1ccc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(F)cc2)cc1F ZINC000064757644 570537218 /nfs/dbraw/zinc/53/72/18/570537218.db2.gz HSAWMEZGNKRQNC-UHFFFAOYSA-N -1 0 375.400 4.213 50 0 GIAARM CCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000583645763 570537378 /nfs/dbraw/zinc/53/73/78/570537378.db2.gz DTLUAXULMSOHNM-UHFFFAOYSA-N -1 0 376.865 4.396 50 0 GIAARM CN1c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)c3cccc(c23)C1=O ZINC000008715847 570538054 /nfs/dbraw/zinc/53/80/54/570538054.db2.gz YPHXPGJEVIKBLQ-UHFFFAOYSA-N -1 0 388.448 4.384 50 0 GIAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cc(C(C)C)c(O)c(C(C)C)c2)cc1 ZINC000003292294 570539485 /nfs/dbraw/zinc/53/94/85/570539485.db2.gz HLWVQCNFBRQBBL-UHFFFAOYSA-N -1 0 390.505 4.458 50 0 GIAARM CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCCCC3)c([O-])n2n1 ZINC000022853034 570556640 /nfs/dbraw/zinc/55/66/40/570556640.db2.gz CVNUCEWFFZCYNR-OAHLLOKOSA-N -1 0 376.913 4.288 50 0 GIAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)cc1 ZINC000064844922 570564749 /nfs/dbraw/zinc/56/47/49/570564749.db2.gz NVUUHDWQBVJVFZ-UHFFFAOYSA-N -1 0 376.459 4.023 50 0 GIAARM COc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)cc1 ZINC000064845686 570565713 /nfs/dbraw/zinc/56/57/13/570565713.db2.gz AKSILGCDOHGOPZ-UHFFFAOYSA-N -1 0 392.502 4.446 50 0 GIAARM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccccc1Br ZINC000037385747 570572030 /nfs/dbraw/zinc/57/20/30/570572030.db2.gz IIVQYDRLYFOGMX-UHFFFAOYSA-N -1 0 380.185 4.269 50 0 GIAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920613 570591626 /nfs/dbraw/zinc/59/16/26/570591626.db2.gz UUKCBMFTIJOQSR-UHFFFAOYSA-N -1 0 393.465 4.314 50 0 GIAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000064979448 570623145 /nfs/dbraw/zinc/62/31/45/570623145.db2.gz IGZAOLTXZWAEJE-UHFFFAOYSA-N -1 0 392.864 4.421 50 0 GIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2cc(C)no2)cc1C ZINC000064979683 570624038 /nfs/dbraw/zinc/62/40/38/570624038.db2.gz YDSJGFQIWRYZPG-UHFFFAOYSA-N -1 0 392.864 4.421 50 0 GIAARM CN(c1ccc(CNC(=O)CCc2ccccc2C(=O)[O-])cc1)C1CCCCC1 ZINC000170592285 570665713 /nfs/dbraw/zinc/66/57/13/570665713.db2.gz CXJYWTPKFZILBN-UHFFFAOYSA-N -1 0 394.515 4.403 50 0 GIAARM Cc1cccn2cc(-c3cccc(NC(=O)[C@H]4CCCC[C@@H]4C(=O)[O-])c3)nc12 ZINC000004625560 570702684 /nfs/dbraw/zinc/70/26/84/570702684.db2.gz DBFXTKIJURGQIL-ROUUACIJSA-N -1 0 377.444 4.139 50 0 GIAARM Cc1ccc(C)c(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)CCCCC4)c1 ZINC000065150551 570711544 /nfs/dbraw/zinc/71/15/44/570711544.db2.gz OUVVFDCOCVWYNG-UHFFFAOYSA-N -1 0 382.485 4.433 50 0 GIAARM C[C@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4cccc(Cl)c4)c([O-])c23)C1 ZINC000065150436 570711596 /nfs/dbraw/zinc/71/15/96/570711596.db2.gz CAVAJTHPSYMUOA-VIFPVBQESA-N -1 0 388.876 4.326 50 0 GIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2nccn2C)c(Cl)c1 ZINC000058392344 570730687 /nfs/dbraw/zinc/73/06/87/570730687.db2.gz ZHLWHHCWQDIOLJ-UHFFFAOYSA-N -1 0 393.921 4.334 50 0 GIAARM O=C(Nc1ccccc1)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000065215636 570734321 /nfs/dbraw/zinc/73/43/21/570734321.db2.gz SZAXHELWSHPTSP-UHFFFAOYSA-N -1 0 376.437 4.069 50 0 GIAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(Br)s1 ZINC000012428827 570806779 /nfs/dbraw/zinc/80/67/79/570806779.db2.gz KQGZLXOIKBVFJQ-UHFFFAOYSA-N -1 0 386.214 4.330 50 0 GIAARM CCCn1c(=O)c(-c2nc(-c3cccc(Cl)c3)no2)c([O-])c2ccccc21 ZINC000101725325 570831277 /nfs/dbraw/zinc/83/12/77/570831277.db2.gz ZLVKHKOQQGEEGY-UHFFFAOYSA-N -1 0 381.819 4.488 50 0 GIAARM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccccc1Br ZINC000007428450 570843055 /nfs/dbraw/zinc/84/30/55/570843055.db2.gz POSWVLAZVOXIOD-UHFFFAOYSA-N -1 0 390.686 4.220 50 0 GIAARM Cc1nn2c([n-]1)nc(=O)c1c2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC000102632145 570855075 /nfs/dbraw/zinc/85/50/75/570855075.db2.gz VHRRSQKICPZTLT-OAHLLOKOSA-N -1 0 393.422 4.128 50 0 GIAARM O=S(=O)([N-]c1ccc(Br)c(C(F)(F)F)c1)c1cccs1 ZINC000003319520 570889087 /nfs/dbraw/zinc/88/90/87/570889087.db2.gz PZAZSVXHXCTSHH-UHFFFAOYSA-N -1 0 386.214 4.330 50 0 GIAARM O=S(=O)([N-]c1cccc(Cn2cccn2)c1)c1cc(Cl)ccc1Cl ZINC000014232453 570904092 /nfs/dbraw/zinc/90/40/92/570904092.db2.gz BARKRLMCRAFXFW-UHFFFAOYSA-N -1 0 382.272 4.039 50 0 GIAARM Cc1cc(C)n(C2CN(Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2)n1 ZINC000534590018 570906193 /nfs/dbraw/zinc/90/61/93/570906193.db2.gz DJBSCKMSTSAKBP-UHFFFAOYSA-N -1 0 385.851 4.168 50 0 GIAARM Cc1ncc(-c2ccc(NC(=O)c3ccc4c(c3)[n-]c(=S)[nH]c4=O)cc2)o1 ZINC000047079811 570939766 /nfs/dbraw/zinc/93/97/66/570939766.db2.gz MJUDVSDSQKEZAY-UHFFFAOYSA-N -1 0 378.413 4.214 50 0 GIAARM CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc(C(=O)[O-])c[nH]1 ZINC000725240404 570973946 /nfs/dbraw/zinc/97/39/46/570973946.db2.gz CBDZMZWYYFCEAZ-SFHVURJKSA-N -1 0 391.427 4.098 50 0 GIAARM COc1ccccc1[C@H]1CC(=O)Nc2c(C(=O)[O-])cn(-c3cccc(F)c3)c21 ZINC000044901647 570981918 /nfs/dbraw/zinc/98/19/18/570981918.db2.gz NFIYWDLOYMGDSD-OAHLLOKOSA-N -1 0 380.375 4.447 50 0 GIAARM CCc1noc(-c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2Cl)n1 ZINC000170657148 571000476 /nfs/dbraw/zinc/00/04/76/571000476.db2.gz RBVKHSKAJDHOQF-UHFFFAOYSA-N -1 0 398.271 4.407 50 0 GIAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC2)cs1 ZINC000045961599 571005964 /nfs/dbraw/zinc/00/59/64/571005964.db2.gz PRWDODYESLMMDG-UHFFFAOYSA-N -1 0 398.937 4.137 50 0 GIAARM O=C(Nc1cccc(COC[C@H]2CCCCO2)c1)c1c([O-])cc(F)cc1F ZINC000084374456 571015919 /nfs/dbraw/zinc/01/59/19/571015919.db2.gz FCEOEHRZGSVMSE-MRXNPFEDSA-N -1 0 377.387 4.008 50 0 GIAARM O=C(N=C([O-])Nc1ccccc1SC(F)(F)F)C(Cl)(Cl)Cl ZINC000001226882 817375546 /nfs/dbraw/zinc/37/55/46/817375546.db2.gz MGSYULKSNWOQCC-UHFFFAOYSA-N -1 0 381.590 4.317 50 0 GIAARM O=S(=O)([N-]c1nnc(-c2ccc(Cl)cc2)o1)c1ccc2ccccc2c1 ZINC000003384015 817445317 /nfs/dbraw/zinc/44/53/17/817445317.db2.gz NBDUXMNXOBLZNR-UHFFFAOYSA-N -1 0 385.832 4.344 50 0 GIAARM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000004256379 817514319 /nfs/dbraw/zinc/51/43/19/817514319.db2.gz BWLZXYIDYDTMRJ-DIQJQSEOSA-N -1 0 382.287 4.393 50 0 GIAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)cc1 ZINC000007052093 817747511 /nfs/dbraw/zinc/74/75/11/817747511.db2.gz NDHPZUIOEJGCPM-UHFFFAOYSA-N -1 0 387.288 4.369 50 0 GIAARM O=C([O-])c1ccc(/C=C(/C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)cc1 ZINC000012551712 818167053 /nfs/dbraw/zinc/16/70/53/818167053.db2.gz GPLFFRBJYIJUDI-XMHGGMMESA-N -1 0 397.434 4.118 50 0 GIAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1Oc1ccccc1 ZINC000022021328 818764819 /nfs/dbraw/zinc/76/48/19/818764819.db2.gz GXPUKXYXCWWTFC-UHFFFAOYSA-N -1 0 389.454 4.128 50 0 GIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000027489633 820252734 /nfs/dbraw/zinc/25/27/34/820252734.db2.gz GFAUAHHHROLWKR-ZIAGYGMSSA-N -1 0 396.274 4.068 50 0 GIAARM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2[N-]S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000032632059 820980826 /nfs/dbraw/zinc/98/08/26/820980826.db2.gz ILPSRNORGCYSTH-CONOYDDESA-N -1 0 398.528 4.217 50 0 GIAARM Cc1ccc(C(=O)Nc2ccccc2S(=O)(=O)[N-]c2ccccc2)cc1F ZINC000040030734 821126966 /nfs/dbraw/zinc/12/69/66/821126966.db2.gz ZSRWZDDXNRFMCY-UHFFFAOYSA-N -1 0 384.432 4.187 50 0 GIAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)c(OC)c1 ZINC000040309318 821157832 /nfs/dbraw/zinc/15/78/32/821157832.db2.gz ZBIDISVUFDDCLU-MRXNPFEDSA-N -1 0 392.411 4.316 50 0 GIAARM CCn1cc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(C)cc4s3)cc2)cn1 ZINC000017081557 210203694 /nfs/dbraw/zinc/20/36/94/210203694.db2.gz IOTAGZNCPQVQLD-UHFFFAOYSA-N -1 0 398.513 4.289 50 0 GIAARM O=c1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)[n-]nc1Cc1ccccc1 ZINC000016806923 210196831 /nfs/dbraw/zinc/19/68/31/210196831.db2.gz LTQIZEBCQKBSMM-UHFFFAOYSA-N -1 0 380.757 4.172 50 0 GIAARM O=c1c2ccc(Cl)c(F)c2[n-]cc1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000015829425 210173035 /nfs/dbraw/zinc/17/30/35/210173035.db2.gz CKBCIHZTYUZTEX-UHFFFAOYSA-N -1 0 390.194 4.358 50 0 GIAARM CCC(C)(C)c1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc1 ZINC000014632503 210123523 /nfs/dbraw/zinc/12/35/23/210123523.db2.gz CAKZZHFMFXMJJW-IRXDYDNUSA-N -1 0 377.481 4.216 50 0 GIAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000014256154 210113927 /nfs/dbraw/zinc/11/39/27/210113927.db2.gz HOTSYEHDCDLELE-UHFFFAOYSA-N -1 0 379.844 4.082 50 0 GIAARM O=C([O-])c1cc(-c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)nc2ccccc21 ZINC000013856240 210094275 /nfs/dbraw/zinc/09/42/75/210094275.db2.gz FOXATBPISVEWCC-ROUUACIJSA-N -1 0 398.418 4.056 50 0 GIAARM CCCOc1ccc(CC2C(=O)N=C(SCc3ccccc3)N=C2[O-])cc1C ZINC000013765399 210089965 /nfs/dbraw/zinc/08/99/65/210089965.db2.gz GSESBDUOZCUJMD-UHFFFAOYSA-N -1 0 396.512 4.456 50 0 GIAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)Nc1cccc2ncccc21 ZINC000013550443 210067544 /nfs/dbraw/zinc/06/75/44/210067544.db2.gz LMEFDCXVLWCHLD-UHFFFAOYSA-N -1 0 394.814 4.190 50 0 GIAARM CCCOc1ccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000012946281 210033859 /nfs/dbraw/zinc/03/38/59/210033859.db2.gz IGYUWSPQKLAWEV-YBEGLDIGSA-N -1 0 384.819 4.147 50 0 GIAARM Cc1ccc(-c2nnc(SCc3cccc(F)c3F)n2CCC(=O)[O-])cc1 ZINC000012978183 210037034 /nfs/dbraw/zinc/03/70/34/210037034.db2.gz AHKNPIMYEFSVJS-UHFFFAOYSA-N -1 0 389.427 4.299 50 0 GIAARM O=C(Nc1ccccc1)Nc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000012756071 210003116 /nfs/dbraw/zinc/00/31/16/210003116.db2.gz ZHANKQOXQDWYEI-UHFFFAOYSA-N -1 0 385.420 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O=C([O-])c1cccc2cccc([S@](=O)c3cccc4cccc(CO)c43)c21 ZINC000004300984 570366411 /nfs/dbraw/zinc/36/64/11/570366411.db2.gz PBINPKPPPSCPLQ-MHZLTWQESA-N -1 0 376.433 4.350 50 0 GIAARM O=C([O-])c1cc(-c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)nc2ccccc21 ZINC000004554342 570384111 /nfs/dbraw/zinc/38/41/11/570384111.db2.gz FOXATBPISVEWCC-QZTJIDSGSA-N -1 0 398.418 4.056 50 0 GIAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 ZINC000004573401 570385343 /nfs/dbraw/zinc/38/53/43/570385343.db2.gz XDBUJJZDYLSKDH-LBPRGKRZSA-N -1 0 380.227 4.010 50 0 GIAARM Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000035539373 570391450 /nfs/dbraw/zinc/39/14/50/570391450.db2.gz GTBRROXCLSFVQA-UHFFFAOYSA-N -1 0 395.893 4.438 50 0 GIAARM O=C([O-])c1cc(NCc2cccc(Cl)c2Cl)ccc1N1CCOCC1 ZINC000004705132 570396113 /nfs/dbraw/zinc/39/61/13/570396113.db2.gz ISZHOBFBOANDDT-UHFFFAOYSA-N -1 0 381.259 4.140 50 0 GIAARM CC1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000004809512 570407110 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CCCCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000012521147 570827825 /nfs/dbraw/zinc/82/78/25/570827825.db2.gz UUCMEEBYJYHGII-UHFFFAOYSA-N -1 0 392.496 4.197 50 0 GIAARM CCn1c2ccccc2c([O-])c(-c2nc(-c3ccc(SC)cc3)no2)c1=O ZINC000101725553 570831780 /nfs/dbraw/zinc/83/17/80/570831780.db2.gz UTQXYCXTXFBNOF-UHFFFAOYSA-N -1 0 379.441 4.166 50 0 GIAARM CCc1cccc([N-]S(=O)(=O)c2c(C(=O)OC)sc3cccc(F)c32)c1 ZINC000007428272 570842074 /nfs/dbraw/zinc/84/20/74/570842074.db2.gz FPKWSVLOKIAVPV-UHFFFAOYSA-N -1 0 393.461 4.190 50 0 GIAARM Cc1ccccc1CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000037133242 570843094 /nfs/dbraw/zinc/84/30/94/570843094.db2.gz WCWXGAGKAKABAF-UHFFFAOYSA-N -1 0 386.498 4.039 50 0 GIAARM Cc1ccc(C)c(OCC(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c1 ZINC000003626526 570879131 /nfs/dbraw/zinc/87/91/31/570879131.db2.gz LXXPQKRUOVOJRH-LJQANCHMSA-N -1 0 383.488 4.312 50 0 GIAARM CC(C)c1ccccc1OCC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000003626594 570879133 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4.055 50 0 GIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCCC(C)C)cc1 ZINC000017248872 221381875 /nfs/dbraw/zinc/38/18/75/221381875.db2.gz PJFKNNBWLYWXBC-UHFFFAOYSA-N -1 0 384.505 4.197 50 0 GIAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(F)cc1)c1ccccc1 ZINC000017252083 221382512 /nfs/dbraw/zinc/38/25/12/221382512.db2.gz DKLUNECDBSSHQR-UHFFFAOYSA-N -1 0 394.431 4.313 50 0 GIAARM CCOc1cccc(-c2cc(C(=O)[O-])c3nc(-c4ccccc4)[nH]c3n2)c1O ZINC000017315764 221383468 /nfs/dbraw/zinc/38/34/68/221383468.db2.gz OTHIVCAOXCOFPK-UHFFFAOYSA-N -1 0 375.384 4.094 50 0 GIAARM CCc1c(C)sc2[n-]c(=S)n(CCc3ccc(OC)c(OC)c3)c(=O)c21 ZINC000017079770 221378486 /nfs/dbraw/zinc/37/84/86/221378486.db2.gz WMUGRQKIIUTHTG-UHFFFAOYSA-N -1 0 390.530 4.251 50 0 GIAARM COc1cccc2ccc(N3CCC[C@@](Cc4ccccc4)(C(=O)[O-])C3)nc21 ZINC000071764979 136166497 /nfs/dbraw/zinc/16/64/97/136166497.db2.gz UENGYOKGSXKHSB-QHCPKHFHSA-N -1 0 376.456 4.157 50 0 GIAARM CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(CC)s3)ccc21 ZINC000008840753 136195704 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377.190 4.149 50 0 GIAARM Cc1onc(-c2ccccc2)c1C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000004685903 570830633 /nfs/dbraw/zinc/83/06/33/570830633.db2.gz LXTSQQBNGHHIRX-MRXNPFEDSA-N -1 0 384.819 4.249 50 0 GIAARM Cc1nc(-n2[n-]c(C)c(CC(=O)Nc3ccc(C)c(Cl)c3)c2=O)sc1C ZINC000101831607 570836803 /nfs/dbraw/zinc/83/68/03/570836803.db2.gz VYWSLAOILBOGML-UHFFFAOYSA-N -1 0 390.896 4.103 50 0 GIAARM Cc1ccc(Oc2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000012541991 570842508 /nfs/dbraw/zinc/84/25/08/570842508.db2.gz ZUHHRIPBWLHMEI-UHFFFAOYSA-N -1 0 396.424 4.023 50 0 GIAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000033253574 570861200 /nfs/dbraw/zinc/86/12/00/570861200.db2.gz BLFKHHQXJBHTSM-UHFFFAOYSA-N -1 0 390.505 4.120 50 0 GIAARM Cc1cc(S(=O)(=O)[N-]c2nc3c(ccc(Cl)c3F)s2)cnc1Cl ZINC000097034313 570887446 /nfs/dbraw/zinc/88/74/46/570887446.db2.gz OYRXTPVKRPCWNE-UHFFFAOYSA-N -1 0 392.264 4.246 50 0 GIAARM Cc1csc2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)cn12 ZINC000004249128 570896580 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Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)c(C)c1 ZINC000045961627 571006592 /nfs/dbraw/zinc/00/65/92/571006592.db2.gz ICIDLXCACKPZDS-UHFFFAOYSA-N -1 0 392.546 4.100 50 0 GIAARM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2Cl)cc(Cl)c1Cl ZINC000084344427 571013902 /nfs/dbraw/zinc/01/39/02/571013902.db2.gz ULPRGKMVZSCMHB-UHFFFAOYSA-N -1 0 398.626 4.285 50 0 GIAARM CCOC(=O)[C@](CC)(CCC(=O)[O-])c1csc(Nc2ccc(C)cc2)n1 ZINC000002335017 817384946 /nfs/dbraw/zinc/38/49/46/817384946.db2.gz JKTARFLEFLYTKQ-LJQANCHMSA-N -1 0 376.478 4.271 50 0 GIAARM O=S(=O)([N-]c1ccn(Cc2cccc(F)c2)n1)c1ccc2ccccc2c1 ZINC000002790319 817400347 /nfs/dbraw/zinc/40/03/47/817400347.db2.gz LOTHRISSAQZFNN-UHFFFAOYSA-N -1 0 381.432 4.025 50 0 GIAARM Cc1ccc(CNC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000002970337 817409314 /nfs/dbraw/zinc/40/93/14/817409314.db2.gz SSADKPBGDDQGMZ-UHFFFAOYSA-N -1 0 395.528 4.244 50 0 GIAARM CCCCc1ccc(NC(=S)n2cc(C(=O)c3ccccc3[O-])cn2)cc1 ZINC000003335771 817438896 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220579455 /nfs/dbraw/zinc/57/94/55/220579455.db2.gz NHSZGJSVSDGURH-UHFFFAOYSA-N -1 0 384.284 4.492 50 0 GIAARM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000004665328 220744322 /nfs/dbraw/zinc/74/43/22/220744322.db2.gz QDOVPTCWXNXKNF-UHFFFAOYSA-N -1 0 389.473 4.421 50 0 GIAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2cccc3ccccc32)cc1Cl ZINC000004675250 220746231 /nfs/dbraw/zinc/74/62/31/220746231.db2.gz QPAOIWZZEXSWJA-UHFFFAOYSA-N -1 0 384.844 4.318 50 0 GIAARM Cc1cccc(Oc2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000006623289 220945753 /nfs/dbraw/zinc/94/57/53/220945753.db2.gz QPJVODNHHLQLKZ-UHFFFAOYSA-N -1 0 394.452 4.083 50 0 GIAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Oc3ccccc3)cc2)cc1 ZINC000007602796 221002623 /nfs/dbraw/zinc/00/26/23/221002623.db2.gz CAOKIENEPNAYIC-UHFFFAOYSA-N -1 0 397.452 4.067 50 0 GIAARM O=C(c1cc(Cl)c2nc3ccsc3c(=O)n2c1)c1cc(Cl)ccc1[O-] ZINC000008394153 221039833 /nfs/dbraw/zinc/03/98/33/221039833.db2.gz IHRQMGNWVUAMMJ-UHFFFAOYSA-N -1 0 391.235 4.153 50 0 GIAARM CC(C)CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc21 ZINC000008840821 221059880 /nfs/dbraw/zinc/05/98/80/221059880.db2.gz DUSHPVISRGNIDG-UHFFFAOYSA-N -1 0 392.908 4.076 50 0 GIAARM CCCCn1nc([N-]S(=O)(=O)c2ccccc2)c2cc3ccc(C)cc3nc21 ZINC000008968532 221065857 /nfs/dbraw/zinc/06/58/57/221065857.db2.gz ZBWRDUIEXXCCNT-UHFFFAOYSA-N -1 0 394.500 4.494 50 0 GIAARM CCOC(=O)c1sc(C(F)(F)F)cc1-c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000009341579 221078363 /nfs/dbraw/zinc/07/83/63/221078363.db2.gz DXXNJGUDNYVELR-UHFFFAOYSA-N -1 0 396.390 4.398 50 0 GIAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccccc1C ZINC000009646467 221088088 /nfs/dbraw/zinc/08/80/88/221088088.db2.gz BPRTYTRHXQUBHY-UHFFFAOYSA-N -1 0 393.461 4.326 50 0 GIAARM CC1CCC(NC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000012557658 221206572 /nfs/dbraw/zinc/20/65/72/221206572.db2.gz HUWIHSYKOPXJMR-UHFFFAOYSA-N -1 0 387.549 4.314 50 0 GIAARM Cc1ccc(S(=O)(=O)Cc2nc(=O)c3sc(-c4ccccc4)cc3[n-]2)cc1 ZINC000012880017 221241412 /nfs/dbraw/zinc/24/14/12/221241412.db2.gz JALUESHKVDVKRQ-UHFFFAOYSA-N -1 0 396.493 4.346 50 0 GIAARM CC(C)c1ccccc1NS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000013345769 221266109 /nfs/dbraw/zinc/26/61/09/221266109.db2.gz RJBTVEXZVMIYJC-UHFFFAOYSA-N -1 0 398.278 4.072 50 0 GIAARM CCOc1c(Br)cc(Cl)cc1[N-]S(=O)(=O)c1cccs1 ZINC000013007992 221256987 /nfs/dbraw/zinc/25/69/87/221256987.db2.gz ZGZZIRTWICKXOF-UHFFFAOYSA-N -1 0 396.715 4.364 50 0 GIAARM CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000013042025 221259635 /nfs/dbraw/zinc/25/96/35/221259635.db2.gz PISNVYKVFSUOAG-UHFFFAOYSA-N -1 0 378.803 4.226 50 0 GIAARM O=C([N-]n1cnc2scc(-c3ccccc3)c2c1=O)c1ccc(Cl)cc1F ZINC000014253040 221308467 /nfs/dbraw/zinc/30/84/67/221308467.db2.gz JXQZLRPPRFDXCW-UHFFFAOYSA-N -1 0 399.834 4.301 50 0 GIAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1ccc(O)cc1 ZINC000015082773 221332696 /nfs/dbraw/zinc/33/26/96/221332696.db2.gz QWAVIGQOYGUMPU-CQSZACIVSA-N -1 0 383.400 4.432 50 0 GIAARM O=C([O-])c1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000015008467 221326689 /nfs/dbraw/zinc/32/66/89/221326689.db2.gz OBCOBYJOCFJFAQ-OVCLIPMQSA-N -1 0 391.807 4.414 50 0 GIAARM CCCC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000015729314 221341805 /nfs/dbraw/zinc/34/18/05/221341805.db2.gz KDXPTDQAVASASJ-UHFFFAOYSA-N -1 0 389.502 4.144 50 0 GIAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccccc1Br ZINC000016101412 221357214 /nfs/dbraw/zinc/35/72/14/221357214.db2.gz ZMGHMIYPJQKHNY-UHFFFAOYSA-N -1 0 380.185 4.269 50 0 GIAARM Cc1cc(C(=O)OC(C)C)c(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])s1 ZINC000017077595 221377557 /nfs/dbraw/zinc/37/75/57/221377557.db2.gz DYBXNAWJLPFXMQ-KBPBESRZSA-N -1 0 379.478 4.007 50 0 GIAARM Cc1cc(C(=O)OC(C)C)c(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])s1 ZINC000017077594 221377778 /nfs/dbraw/zinc/37/77/78/221377778.db2.gz DYBXNAWJLPFXMQ-KGLIPLIRSA-N -1 0 379.478 4.007 50 0 GIAARM O=C(NC1CCCCCC1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000017917388 221385163 /nfs/dbraw/zinc/38/51/63/221385163.db2.gz XAMNCOMEQUGLGT-UHFFFAOYSA-N -1 0 378.519 4.002 50 0 GIAARM CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCCCC3)c([O-])n2n1 ZINC000022853038 221571334 /nfs/dbraw/zinc/57/13/34/221571334.db2.gz NJVCXFZZUTZEGR-OAHLLOKOSA-N -1 0 376.913 4.288 50 0 GIAARM Cc1nc2sc([C@H](c3ccccc3F)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022627413 221566067 /nfs/dbraw/zinc/56/60/67/221566067.db2.gz HBVYUWPVYHHOAG-SFHVURJKSA-N -1 0 394.475 4.092 50 0 GIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cccs2)CC(=O)N3)c(OC)c1 ZINC000044889810 221955313 /nfs/dbraw/zinc/95/53/13/221955313.db2.gz OWSNNSWAWQNTEA-LBPRGKRZSA-N -1 0 398.440 4.378 50 0 GIAARM O=c1c(-c2nc(-c3ccc(Br)cc3)no2)c[n-]c2ccc(F)cc21 ZINC000057354799 222032434 /nfs/dbraw/zinc/03/24/34/222032434.db2.gz LGSGRUQAIJIDEM-UHFFFAOYSA-N -1 0 386.180 4.147 50 0 GIAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1cc(-c2nnc(C3CC3)o2)cs1 ZINC000065098690 222100857 /nfs/dbraw/zinc/10/08/57/222100857.db2.gz JRVWAZKFZSAZGY-UHFFFAOYSA-N -1 0 381.866 4.130 50 0 GIAARM CCCn1nccc1-c1csc(S(=O)(=O)[N-]c2cc(C)ccc2F)c1 ZINC000065112604 222101745 /nfs/dbraw/zinc/10/17/45/222101745.db2.gz REJSVBMPECDDNL-UHFFFAOYSA-N -1 0 379.482 4.270 50 0 GIAARM Cc1cccc([C@H]2CCN(c3ccc(NC(=O)C4CCC4)c(C(=O)[O-])c3)C2)c1 ZINC000064589157 222075468 /nfs/dbraw/zinc/07/54/68/222075468.db2.gz YLUYHJRPULFVMV-SFHVURJKSA-N -1 0 378.472 4.426 50 0 GIAARM O=S(=O)([N-]c1ccc(F)cc1)c1cccnc1Nc1cccc(Cl)c1 ZINC000064757634 222080389 /nfs/dbraw/zinc/08/03/89/222080389.db2.gz RNPZRHNCHRGKAJ-UHFFFAOYSA-N -1 0 377.828 4.419 50 0 GIAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000064837392 222083478 /nfs/dbraw/zinc/08/34/78/222083478.db2.gz KMCMNFPOOMBJON-UHFFFAOYSA-N -1 0 386.473 4.385 50 0 GIAARM COc1cccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)c1 ZINC000064845311 222085448 /nfs/dbraw/zinc/08/54/48/222085448.db2.gz BXIABIJYFLORQC-UHFFFAOYSA-N -1 0 378.475 4.138 50 0 GIAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2nnc(C3CCCC3)o2)o1 ZINC000065246474 222115303 /nfs/dbraw/zinc/11/53/03/222115303.db2.gz WRPGQTRTOUBITP-UHFFFAOYSA-N -1 0 393.852 4.441 50 0 GIAARM CCc1nn2c(nccc2-c2c([O-])cc(C)oc2=O)c1-c1ccc(Cl)cc1 ZINC000067630366 222151710 /nfs/dbraw/zinc/15/17/10/222151710.db2.gz VHYNYQFLNXJWIH-UHFFFAOYSA-N -1 0 381.819 4.246 50 0 GIAARM CCOc1ccc(-c2ccnc(N[C@@H](C)c3ncccc3C)n2)cc1C(=O)[O-] ZINC000077353932 222279053 /nfs/dbraw/zinc/27/90/53/222279053.db2.gz YCXHHTWRMIJLSF-AWEZNQCLSA-N -1 0 378.432 4.117 50 0 GIAARM CCCCCCn1c2ccccc2c([O-])c(-c2nc3ccccc3c(=O)[nH]2)c1=O ZINC000100504356 222459734 /nfs/dbraw/zinc/45/97/34/222459734.db2.gz LQTSLACJKILUIQ-UHFFFAOYSA-N -1 0 389.455 4.191 50 0 GIAARM CCCCCCn1c(=O)c(C(=O)Nc2nc(C)cs2)c([O-])c2ccccc21 ZINC000100534608 222459976 /nfs/dbraw/zinc/45/99/76/222459976.db2.gz RRAHSACVZVCTQT-UHFFFAOYSA-N -1 0 385.489 4.305 50 0 GIAARM CC(C)c1cc(Cl)ccc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000042783120 528043498 /nfs/dbraw/zinc/04/34/98/528043498.db2.gz UZRBEHPNMMCPJD-ZFWWWQNUSA-N -1 0 383.872 4.305 50 0 GIAARM COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000681614 570217036 /nfs/dbraw/zinc/21/70/36/570217036.db2.gz PWMJTQUXNMHNMJ-GJZGRUSLSA-N -1 0 399.468 4.116 50 0 GIAARM COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000681612 570217196 /nfs/dbraw/zinc/21/71/96/570217196.db2.gz PWMJTQUXNMHNMJ-LSDHHAIUSA-N -1 0 399.468 4.116 50 0 GIAARM Cc1nc2sc([C@H](c3cccc(C)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022627424 570228771 /nfs/dbraw/zinc/22/87/71/570228771.db2.gz BZGPMVHSPKYGMS-IBGZPJMESA-N -1 0 390.512 4.261 50 0 GIAARM Cc1ccccc1-n1c2c(c(=O)[n-]c1=S)CN([C@@H](C)c1ccccc1)CN2 ZINC000020567682 570268341 /nfs/dbraw/zinc/26/83/41/570268341.db2.gz CDFRPFVHEBHCFL-HNNXBMFYSA-N -1 0 378.501 4.150 50 0 GIAARM Cc1cc(C(F)(F)F)nc2nn3c(nc(-c4ccc(F)cc4)cc3C(=O)[O-])c21 ZINC000020615726 570272446 /nfs/dbraw/zinc/27/24/46/570272446.db2.gz ZLTORIFJOHJJLG-UHFFFAOYSA-N -1 0 390.296 4.109 50 0 GIAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2OC)c1=O ZINC000100476364 570272626 /nfs/dbraw/zinc/27/26/26/570272626.db2.gz WAUSDMBLUFMVCM-UHFFFAOYSA-N -1 0 380.444 4.158 50 0 GIAARM Cc1ccc(C)c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000006146668 570276917 /nfs/dbraw/zinc/27/69/17/570276917.db2.gz JCSLJMVMYQKWQD-UHFFFAOYSA-N -1 0 398.459 4.496 50 0 GIAARM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Br)cnn21 ZINC000020615927 570280877 /nfs/dbraw/zinc/28/08/77/570280877.db2.gz AWVOBLCOMPUGMW-UHFFFAOYSA-N -1 0 387.020 4.164 50 0 GIAARM CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)[O-])C(C)C ZINC000022001788 570301616 /nfs/dbraw/zinc/30/16/16/570301616.db2.gz BGHVPSAAFKIBID-SIBVEZHUSA-N -1 0 384.409 4.324 50 0 in-vitro GIAARM CC(C)(C)c1ccc(OCCCOc2ccc(/C=C3\NC(=O)[N-]C3=O)cc2)cc1 ZINC000002878508 570315170 /nfs/dbraw/zinc/31/51/70/570315170.db2.gz IBNNYCSPULUBET-HKWRFOASSA-N -1 0 394.471 4.012 50 0 GIAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCCC2)cs1 ZINC000035405465 570351774 /nfs/dbraw/zinc/35/17/74/570351774.db2.gz KPPAPQNHLBESND-UHFFFAOYSA-N -1 0 392.546 4.182 50 0 GIAARM CC1(C)O[C@@](C)(C(O)(Cc2ccccc2)Cc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000003845838 570351848 /nfs/dbraw/zinc/35/18/48/570351848.db2.gz GBHMCKICCNQKAV-NFBKMPQASA-N -1 0 382.500 4.251 50 0 GIAARM Cc1cc(Br)ccc1NC(=O)Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC000004876250 570353451 /nfs/dbraw/zinc/35/34/51/570353451.db2.gz KXOBLEQCBBKODD-UHFFFAOYSA-N -1 0 387.233 4.118 50 0 GIAARM COc1cccc(-c2cc(C(=O)Nc3cc(Br)ccc3O)no2)c1 ZINC000004880783 570353949 /nfs/dbraw/zinc/35/39/49/570353949.db2.gz UQQULHBCXDPUBB-UHFFFAOYSA-N -1 0 389.205 4.071 50 0 GIAARM O=C([O-])[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000004020934 570354902 /nfs/dbraw/zinc/35/49/02/570354902.db2.gz SVEPNBWJPFFLEZ-DIQJQSEOSA-N -1 0 382.287 4.393 50 0 GIAARM O=C([O-])c1cc(NCc2c(Cl)cccc2Cl)ccc1N1CCOCC1 ZINC000004705123 570396107 /nfs/dbraw/zinc/39/61/07/570396107.db2.gz YPRQOUZKCLVUAM-UHFFFAOYSA-N -1 0 381.259 4.140 50 0 GIAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557135 570396083 /nfs/dbraw/zinc/39/60/83/570396083.db2.gz RFVHBIFMOQNKMQ-UHFFFAOYSA-N -1 0 389.502 4.483 50 0 GIAARM O=C([O-])c1cc(NCc2ccc(Cl)cc2Cl)ccc1N1CCOCC1 ZINC000004705122 570396144 /nfs/dbraw/zinc/39/61/44/570396144.db2.gz AOUWFIYFGSINRD-UHFFFAOYSA-N -1 0 381.259 4.140 50 0 GIAARM O=C([O-])C[C@H](NCc1ccco1)C(=O)OC1CCCCCCCCCCC1 ZINC000005025084 570399039 /nfs/dbraw/zinc/39/90/39/570399039.db2.gz MZIKXQDTTMHXNO-IBGZPJMESA-N -1 0 379.497 4.429 50 0 GIAARM O=c1nc(CN2CCCC[C@H]2c2nc3ccccc3s2)[n-]c2ccsc21 ZINC000024987969 570402032 /nfs/dbraw/zinc/40/20/32/570402032.db2.gz KWEIIPXAANASEN-AWEZNQCLSA-N -1 0 382.514 4.322 50 0 GIAARM CCN(C(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000004810135 570407321 /nfs/dbraw/zinc/40/73/21/570407321.db2.gz LWVCOXQKQPNWTA-PMACEKPBSA-N -1 0 394.471 4.183 50 0 GIAARM O=C([O-])c1cc(O)ccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000004828679 570409119 /nfs/dbraw/zinc/40/91/19/570409119.db2.gz GAXMQSQJDUTQDQ-UHFFFAOYSA-N -1 0 386.256 4.269 50 0 GIAARM COc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1Cl ZINC000004833644 570409669 /nfs/dbraw/zinc/40/96/69/570409669.db2.gz NHNIZLXWKRAYPQ-UHFFFAOYSA-N -1 0 384.613 4.062 50 0 GIAARM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1F ZINC000004850549 570411910 /nfs/dbraw/zinc/41/19/10/570411910.db2.gz AQKUJHPCNLPEII-UHFFFAOYSA-N -1 0 388.395 4.018 50 0 GIAARM COC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000005145064 570426466 /nfs/dbraw/zinc/42/64/66/570426466.db2.gz UQTWBMHUBNZEHX-UHFFFAOYSA-N -1 0 388.489 4.411 50 0 GIAARM O=S(=O)([N-]c1ccccc1-c1n[nH]c(C2CC2)n1)c1ccc2c(c1)CCCC2 ZINC000026541421 570426934 /nfs/dbraw/zinc/42/69/34/570426934.db2.gz YSPCGZNXHKLJGZ-UHFFFAOYSA-N -1 0 394.500 4.029 50 0 GIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2C)cc1 ZINC000005249543 570432690 /nfs/dbraw/zinc/43/26/90/570432690.db2.gz SVBIBOMXQKKOGT-UHFFFAOYSA-N -1 0 380.469 4.357 50 0 GIAARM O=C([O-])c1cccc(CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000111219323 570464258 /nfs/dbraw/zinc/46/42/58/570464258.db2.gz FGTVECXGDDJJFW-UHFFFAOYSA-N -1 0 387.435 4.466 50 0 GIAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006270163 570475412 /nfs/dbraw/zinc/47/54/12/570475412.db2.gz DFPOSXWTELBMJW-UHFFFAOYSA-N -1 0 396.468 4.057 50 0 GIAARM O=C([N-]n1c(=O)c2ccccc2nc1-c1cccc(Cl)c1)c1ccccc1F ZINC000005199161 570500512 /nfs/dbraw/zinc/50/05/12/570500512.db2.gz XWGSVGVSGRNVRS-UHFFFAOYSA-N -1 0 393.805 4.240 50 0 GIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2cccc(O)c2)CC(=O)N3)cc1 ZINC000061719676 570502475 /nfs/dbraw/zinc/50/24/75/570502475.db2.gz ASKIHWFTVVEKBO-HNNXBMFYSA-N -1 0 395.436 4.302 50 0 GIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cccc(O)c2)CC(=O)N3)cc1 ZINC000061719677 570502622 /nfs/dbraw/zinc/50/26/22/570502622.db2.gz ASKIHWFTVVEKBO-OAHLLOKOSA-N -1 0 395.436 4.302 50 0 GIAARM CCOc1cc(CNc2ccc(C(=O)[O-])cc2)cc(Br)c1OC ZINC000035287206 570551268 /nfs/dbraw/zinc/55/12/68/570551268.db2.gz DHOKGFGBNDECBJ-UHFFFAOYSA-N -1 0 380.238 4.167 50 0 GIAARM O=C([O-])[C@@H](Oc1ccc(Br)cc1Br)c1ccccc1 ZINC000036961420 570570669 /nfs/dbraw/zinc/57/06/69/570570669.db2.gz MNRRQLBRSIPGNL-ZDUSSCGKSA-N -1 0 386.039 4.416 50 0 GIAARM Cc1c(Cl)cccc1NC(=O)[C@@]1(CC(=O)[O-])CC(/C=C/c2ccccc2)=NO1 ZINC000006756457 570573623 /nfs/dbraw/zinc/57/36/23/570573623.db2.gz LPOXLCFXXZCTKM-ZJVMWOEPSA-N -1 0 398.846 4.290 50 0 GIAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000253537520 570574163 /nfs/dbraw/zinc/57/41/63/570574163.db2.gz KXGVEGMKQFWNSR-DOONLLFISA-N -1 0 392.580 4.478 50 0 GIAARM CC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000038528917 570580355 /nfs/dbraw/zinc/58/03/55/570580355.db2.gz VECJPTXHAYWGKO-MOPGFXCFSA-N -1 0 383.469 4.174 50 0 GIAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](Nc1nccs1)c1ccccc1F ZINC000136489788 570601281 /nfs/dbraw/zinc/60/12/81/570601281.db2.gz AGLPKPYPUYNLIS-ROUUACIJSA-N -1 0 380.448 4.474 50 0 GIAARM CCCC[C@@H](OC1CSCCSCCCSCCSC1)C(=O)[O-] ZINC000042784420 570622690 /nfs/dbraw/zinc/62/26/90/570622690.db2.gz ZIRYKADCKCUEGL-OAHLLOKOSA-N -1 0 398.681 4.352 50 0 GIAARM O=C(CC(c1ccccc1)c1ccccc1)OCc1nc(=O)c2sccc2[n-]1 ZINC000005172029 570659907 /nfs/dbraw/zinc/65/99/07/570659907.db2.gz FOHBRFUNFOBOBP-UHFFFAOYSA-N -1 0 390.464 4.250 50 0 GIAARM Cc1ccn2c(c1)nc(-c1cccs1)c2[N-]S(=O)(=O)c1cccs1 ZINC000006971225 570724691 /nfs/dbraw/zinc/72/46/91/570724691.db2.gz IEWSAIBTLYQZGB-UHFFFAOYSA-N -1 0 375.500 4.234 50 0 GIAARM C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccccc1C(F)(F)F)c3[O-] ZINC000200468775 570726407 /nfs/dbraw/zinc/72/64/07/570726407.db2.gz DNBXLDNZAJURDH-SNVBAGLBSA-N -1 0 388.345 4.095 50 0 GIAARM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000004807859 570729202 /nfs/dbraw/zinc/72/92/02/570729202.db2.gz HQROYQFQYQGLCA-VIFPVBQESA-N -1 0 398.640 4.207 50 0 GIAARM Cc1csc([N-]C(NC(=O)c2ccccc2C)(C(F)(F)F)C(F)(F)F)n1 ZINC000000978344 570742480 /nfs/dbraw/zinc/74/24/80/570742480.db2.gz YGAVYNDEBMUIJR-UHFFFAOYSA-N -1 0 397.344 4.423 50 0 GIAARM O=S(=O)([N-]c1cccc(Br)c1)c1ccccc1C(F)(F)F ZINC000007052599 570773672 /nfs/dbraw/zinc/77/36/72/570773672.db2.gz VRVDPGZQSMZHAI-UHFFFAOYSA-N -1 0 380.185 4.269 50 0 GIAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C1 ZINC000238021819 570777262 /nfs/dbraw/zinc/77/72/62/570777262.db2.gz VVBFESVFOOYNEQ-GFCCVEGCSA-N -1 0 378.881 4.181 50 0 GIAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000085490349 570805707 /nfs/dbraw/zinc/80/57/07/570805707.db2.gz RUDATBOHQWOJDD-VGQVXDEOSA-N -1 0 392.580 4.478 50 0 GIAARM Cc1ccccc1NC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000004503167 570817321 /nfs/dbraw/zinc/81/73/21/570817321.db2.gz OZZIZVQBWSYSKM-ROUUACIJSA-N -1 0 380.444 4.077 50 0 GIAARM C[C@@H](Oc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC2CCCC2)cc1 ZINC000004689792 570835316 /nfs/dbraw/zinc/83/53/16/570835316.db2.gz OJBUUVORXOOKLB-IIBYNOLFSA-N -1 0 397.471 4.108 50 0 GIAARM Cc1ccsc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000037149832 570843760 /nfs/dbraw/zinc/84/37/60/570843760.db2.gz OZQDGNVYDOFAKM-UHFFFAOYSA-N -1 0 378.500 4.171 50 0 GIAARM O=C1C[C@@H](c2cccs2)CC2=Nc3nonc3N[C@@H](c3cccc(O)c3)C12 ZINC000102752579 570862247 /nfs/dbraw/zinc/86/22/47/570862247.db2.gz VDAFZCSEAJJCCR-GTNSWQLSSA-N -1 0 380.429 4.466 50 0 GIAARM CC(C)CC[C@@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000024463339 570872673 /nfs/dbraw/zinc/87/26/73/570872673.db2.gz JGGKYEZIIWQRRM-OAHLLOKOSA-N -1 0 394.562 4.032 50 0 GIAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccccc2Cl)cc1 ZINC000003626825 570879109 /nfs/dbraw/zinc/87/91/09/570879109.db2.gz PDAIUDCBJLILDN-KRWDZBQOSA-N -1 0 389.879 4.349 50 0 GIAARM CC(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CCC(=O)[O-] ZINC000005727273 570904606 /nfs/dbraw/zinc/90/46/06/570904606.db2.gz QASJOYBSUBJXHK-UHFFFAOYSA-N -1 0 395.864 4.437 50 0 GIAARM Cc1nc2sc([C@H](c3ccc(C)cc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000023156913 570919863 /nfs/dbraw/zinc/91/98/63/570919863.db2.gz FEDUEFXHXQWKBM-IBGZPJMESA-N -1 0 390.512 4.261 50 0 GIAARM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccc(OC(F)F)cc1 ZINC000047078362 570939642 /nfs/dbraw/zinc/93/96/42/570939642.db2.gz DWTPEMULRCYNDC-VIFPVBQESA-N -1 0 391.399 4.090 50 0 GIAARM O=C(CCn1c(=O)c2sc3ccccc3c2[n-]c1=S)NC1CCCCC1 ZINC000004793236 570993154 /nfs/dbraw/zinc/99/31/54/570993154.db2.gz SAMYSAWWLJEYDM-UHFFFAOYSA-N -1 0 387.530 4.113 50 0 GIAARM Cc1nc2sc3c(c2c2nc(-c4ccccc4C(=O)[O-])nn21)C[C@H](C)CC3 ZINC000002200185 570997081 /nfs/dbraw/zinc/99/70/81/570997081.db2.gz IFFQZUBISZELLW-SNVBAGLBSA-N -1 0 378.457 4.137 50 0 GIAARM CC(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)cc1 ZINC000045961643 571006505 /nfs/dbraw/zinc/00/65/05/571006505.db2.gz ADZFYWFWXMRAEW-UHFFFAOYSA-N -1 0 392.546 4.298 50 0 GIAARM Cc1cccc(COc2cccc(CC(=O)Nc3cccc(CC(=O)[O-])c3)c2)c1 ZINC000170675912 571008603 /nfs/dbraw/zinc/00/86/03/571008603.db2.gz RKNGBLWFQCEYGN-UHFFFAOYSA-N -1 0 389.451 4.382 50 0 GIAARM CC(C)n1c(=O)sc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc21 ZINC000046017575 571011828 /nfs/dbraw/zinc/01/18/28/571011828.db2.gz QKCBBHHZIVDTNU-UHFFFAOYSA-N -1 0 388.923 4.160 50 0 GIAARM C[C@H](Sc1ccccc1C(=O)[O-])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000012779044 571031845 /nfs/dbraw/zinc/03/18/45/571031845.db2.gz QOTPDMFTRFJMKG-INIZCTEOSA-N -1 0 383.513 4.347 50 0 GIAARM COc1ccc2c(C)c(C(=O)N3CCC[C@H](c4ccc(C(=O)[O-])cc4)C3)oc2c1 ZINC000095363811 571056944 /nfs/dbraw/zinc/05/69/44/571056944.db2.gz ADZXLFYKDUXHAW-KRWDZBQOSA-N -1 0 393.439 4.468 50 0 GIAARM C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)[n-]c(=S)n(C1CCCC1)c2=O ZINC000002971715 817409352 /nfs/dbraw/zinc/40/93/52/817409352.db2.gz LVIVTDWEWPNHJZ-CXAGYDPISA-N -1 0 385.533 4.109 50 0 GIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1F ZINC000003330206 817437415 /nfs/dbraw/zinc/43/74/15/817437415.db2.gz BUGGJZRLUOUYHE-UHFFFAOYSA-N -1 0 378.650 4.351 50 0 GIAARM O=C([O-])c1cc(-c2ccc3c(c2)OCCO3)nc2ccc(Br)cc21 ZINC000004163244 817507614 /nfs/dbraw/zinc/50/76/14/817507614.db2.gz NFXGNGAPYVIFHA-UHFFFAOYSA-N -1 0 386.201 4.134 50 0 GIAARM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1ncnc2sc3c(c21)CCC3 ZINC000006623256 817712074 /nfs/dbraw/zinc/71/20/74/817712074.db2.gz NZRZQMOZXQENSP-CMDGGOBGSA-N -1 0 391.905 4.246 50 0 GIAARM O=S(=O)([N-]c1cccc(/C=C/c2ccccn2)c1)c1ccc(F)c(F)c1F ZINC000007054619 817747986 /nfs/dbraw/zinc/74/79/86/817747986.db2.gz NTTUQBBQDFUZPF-BQYQJAHWSA-N -1 0 390.386 4.470 50 0 GIAARM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1 ZINC000032369577 820927194 /nfs/dbraw/zinc/92/71/94/820927194.db2.gz FQLBYCNHHUKFQU-UHFFFAOYSA-N -1 0 386.498 4.216 50 0 GIAARM Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)Nc1ccccc1CC(=O)[O-] ZINC000170675943 823934670 /nfs/dbraw/zinc/93/46/70/823934670.db2.gz UNJYQSSFDWHSLB-VAWYXSNFSA-N -1 0 395.846 4.113 50 0 GIAARM COc1ccc([C@@H]2SCC(=O)Nc3c2cnn3-c2ccc(C(=O)[O-])cc2)cc1 ZINC000095480088 230996464 /nfs/dbraw/zinc/99/64/64/230996464.db2.gz FVXGRYWQRIBFDU-SFHVURJKSA-N -1 0 395.440 4.003 50 0 GIAARM O=C(Nc1ccc(F)cc1)c1cc(Br)cc(Br)c1[O-] ZINC000001606579 212250574 /nfs/dbraw/zinc/25/05/74/212250574.db2.gz WXOUZNPPDSWDGY-UHFFFAOYSA-N -1 0 389.018 4.309 50 0 GIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(-c2cn3ccccc3n2)cc1 ZINC000010274171 212244665 /nfs/dbraw/zinc/24/46/65/212244665.db2.gz SYOJJQOIPVZXJQ-UHFFFAOYSA-N -1 0 393.468 4.119 50 0 GIAARM Cc1nn(-c2ccc(C)cc2)c2[n-]cc(C(=O)Nc3cccc(Cl)c3)c(=O)c12 ZINC000010166809 212237456 /nfs/dbraw/zinc/23/74/56/212237456.db2.gz VYHPMOKHUVZGRW-UHFFFAOYSA-N -1 0 392.846 4.236 50 0 GIAARM Cc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)C(F)(F)F)c1 ZINC000001388573 212241572 /nfs/dbraw/zinc/24/15/72/212241572.db2.gz AQNSDIMSFNACIE-UHFFFAOYSA-N -1 0 397.422 4.271 50 0 GIAARM O=C([N-]S(=O)(=O)c1ccccc1Cl)Nc1ccccc1SC(F)F ZINC000001227055 212230872 /nfs/dbraw/zinc/23/08/72/212230872.db2.gz HDEJAIYVEOHRQK-UHFFFAOYSA-N -1 0 392.836 4.165 50 0 GIAARM O=C([O-])c1ccc(NC(=O)c2ccccc2F)c(NC(=O)c2ccccc2F)c1 ZINC000001216158 212229969 /nfs/dbraw/zinc/22/99/69/212229969.db2.gz IZTHKCZRXIJUIA-UHFFFAOYSA-N -1 0 396.349 4.168 50 0 GIAARM O=C(NC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000001072701 212213694 /nfs/dbraw/zinc/21/36/94/212213694.db2.gz XBGRCMBQUHJZJL-UHFFFAOYSA-N -1 0 392.908 4.203 50 0 GIAARM CCOC(=O)c1cnc2c(OC)cccc2c1Nc1cc(C(=O)[O-])ccc1C ZINC000000953665 212200030 /nfs/dbraw/zinc/20/00/30/212200030.db2.gz MCZGQKWKABIYPM-UHFFFAOYSA-N -1 0 380.400 4.170 50 0 GIAARM Cn1cc([C@H](CC(=O)c2ccc(Br)cc2)C(=O)[O-])c2ccccc21 ZINC000003199611 220608184 /nfs/dbraw/zinc/60/81/84/220608184.db2.gz YKGCBRVGVHSURA-HNNXBMFYSA-N -1 0 386.245 4.382 50 0 GIAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000006887714 220975044 /nfs/dbraw/zinc/97/50/44/220975044.db2.gz BWPHOOOMMXVYOF-UHFFFAOYSA-N -1 0 386.473 4.385 50 0 GIAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000007005096 220982600 /nfs/dbraw/zinc/98/26/00/220982600.db2.gz QVSXZTNXKLOUGA-UHFFFAOYSA-N -1 0 392.864 4.421 50 0 GIAARM COC(=O)c1ccc(/C=C(\SCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000007813633 221013578 /nfs/dbraw/zinc/01/35/78/221013578.db2.gz CKTZBXMVSMWLJB-YBEGLDIGSA-N -1 0 385.466 4.399 50 0 GIAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000007616003 221002970 /nfs/dbraw/zinc/00/29/70/221002970.db2.gz LPVNDPGKPXISBH-UHFFFAOYSA-N -1 0 397.424 4.075 50 0 GIAARM Cc1ccccc1S(=O)(=O)[N-]c1ncnc2sc(-c3ccccc3)cc21 ZINC000008132336 221027929 /nfs/dbraw/zinc/02/79/29/221027929.db2.gz WJXJNIJTWAJVRT-UHFFFAOYSA-N -1 0 381.482 4.468 50 0 GIAARM CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1Cl)C(=O)CCC(=O)[O-] ZINC000008861907 221060890 /nfs/dbraw/zinc/06/08/90/221060890.db2.gz CIRZOVNOHASADM-UHFFFAOYSA-N -1 0 397.862 4.016 50 0 GIAARM COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C(=O)[O-])cc2)c1 ZINC000008446601 221042323 /nfs/dbraw/zinc/04/23/23/221042323.db2.gz ZZOJKBVNKSLMJV-NTEUORMPSA-N -1 0 398.418 4.263 50 0 GIAARM CCCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000008714754 221051810 /nfs/dbraw/zinc/05/18/10/221051810.db2.gz BHVNIXFPTBZLPS-UHFFFAOYSA-N -1 0 375.277 4.286 50 0 GIAARM COc1ccc(Cc2nnc(Nc3ccc4ccccc4c3)[n-]c2=O)cc1OC ZINC000008741438 221054106 /nfs/dbraw/zinc/05/41/06/221054106.db2.gz QVMAAXWXMSQUDU-UHFFFAOYSA-N -1 0 388.427 4.082 50 0 GIAARM O=C([N-]c1c2ccccc2oc1C(=O)c1ccc(Cl)cc1)c1csnn1 ZINC000009250837 221075651 /nfs/dbraw/zinc/07/56/51/221075651.db2.gz UYQVACHMBOHVAI-UHFFFAOYSA-N -1 0 383.816 4.421 50 0 GIAARM CCn1nc([N-]S(=O)(=O)c2ccc(C)cc2)c2cc3ccc(C)cc3nc21 ZINC000009348884 221078167 /nfs/dbraw/zinc/07/81/67/221078167.db2.gz JHWDLUSWHQVVMH-UHFFFAOYSA-N -1 0 380.473 4.022 50 0 GIAARM O=C(Nc1ccc(Cl)cc1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000009477405 221083144 /nfs/dbraw/zinc/08/31/44/221083144.db2.gz UJLLFQYEHDFOCD-UHFFFAOYSA-N -1 0 392.889 4.455 50 0 GIAARM O=C([O-])C1CCC(CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1 ZINC000009053779 221068645 /nfs/dbraw/zinc/06/86/45/221068645.db2.gz ROSVTHFURAMZMI-UHFFFAOYSA-N -1 0 378.428 4.116 50 0 GIAARM Nc1c2ccc(-c3ccccc3)nc2sc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000012249673 221173622 /nfs/dbraw/zinc/17/36/22/221173622.db2.gz XEFQFAUHSPCHBY-UHFFFAOYSA-N -1 0 389.436 4.496 50 0 GIAARM COc1ccccc1-c1cc(C(F)(F)F)c2c(C3CC3)nn(CC(=O)[O-])c2n1 ZINC000012395268 221188842 /nfs/dbraw/zinc/18/88/42/221188842.db2.gz VYFSGDUECAWLFX-UHFFFAOYSA-N -1 0 391.349 4.088 50 0 GIAARM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1OC(F)F ZINC000012740607 221222175 /nfs/dbraw/zinc/22/21/75/221222175.db2.gz LTZSYOYEPACVJA-UHFFFAOYSA-N -1 0 377.796 4.059 50 0 GIAARM Cc1cc(NC(=O)[C@@H](SCc2ccc(C(=O)[O-])cc2)c2ccccc2)no1 ZINC000012775105 221230417 /nfs/dbraw/zinc/23/04/17/221230417.db2.gz BCILUIZUZQUQQG-SFHVURJKSA-N -1 0 382.441 4.294 50 0 GIAARM COc1cc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1OCCC(C)C ZINC000012992812 221254678 /nfs/dbraw/zinc/25/46/78/221254678.db2.gz PCZSPAJFSWJRJW-IZZDOVSWSA-N -1 0 383.444 4.470 50 0 GIAARM O=C([O-])c1ccc2c(=O)[nH]c(CSc3c(Cl)cccc3Cl)nc2c1 ZINC000013319692 221264975 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50 0 GIAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000064837390 222082999 /nfs/dbraw/zinc/08/29/99/222082999.db2.gz ZUZOJMNJIVAIAR-UHFFFAOYSA-N -1 0 386.473 4.385 50 0 GIAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000064837403 222083238 /nfs/dbraw/zinc/08/32/38/222083238.db2.gz NJWZLKIYXDBEFU-UHFFFAOYSA-N -1 0 386.473 4.385 50 0 GIAARM CCc1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)c1 ZINC000064920283 222088368 /nfs/dbraw/zinc/08/83/68/222088368.db2.gz FUQPZEAHRSEJGP-UHFFFAOYSA-N -1 0 375.475 4.039 50 0 GIAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000064979460 222092195 /nfs/dbraw/zinc/09/21/95/222092195.db2.gz VZVMJEOETUMDEU-UHFFFAOYSA-N -1 0 390.486 4.181 50 0 GIAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@H](c1ccsc1)SCC(=O)N2 ZINC000079481333 222304604 /nfs/dbraw/zinc/30/46/04/222304604.db2.gz PTSLEZRQZMJDJA-INIZCTEOSA-N -1 0 385.470 4.365 50 0 GIAARM CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1OCC ZINC000004602344 560198717 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O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 ZINC000002379424 570284896 /nfs/dbraw/zinc/28/48/96/570284896.db2.gz UUEGPRZUDVECNF-NRFANRHFSA-N -1 0 391.398 4.490 50 0 GIAARM CC1(C)SCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)[O-] ZINC000002583077 570291534 /nfs/dbraw/zinc/29/15/34/570291534.db2.gz AHWBFHCBDIMJQV-SFHVURJKSA-N -1 0 383.469 4.174 50 0 GIAARM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583294 570291538 /nfs/dbraw/zinc/29/15/38/570291538.db2.gz RAQPAPMBITVVOX-HLNGLMCHSA-N -1 0 377.440 4.024 50 0 GIAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccnc1 ZINC000002585878 570291590 /nfs/dbraw/zinc/29/15/90/570291590.db2.gz IZXATJNDHWFETN-NRFANRHFSA-N -1 0 388.423 4.136 50 0 GIAARM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc(Br)cc1 ZINC000002734273 570296463 /nfs/dbraw/zinc/29/64/63/570296463.db2.gz BVUGQMOQTZHXKR-UHFFFAOYSA-N -1 0 380.185 4.269 50 0 GIAARM Cc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)cc1F ZINC000023172685 570347727 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