smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)cc1 ZINC000004482838 304245891 /nfs/dbraw/zinc/24/58/91/304245891.db2.gz OUUMKEDTJRCAKV-UKTHLTGXSA-N -1 0 342.401 3.186 50 10 EGCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccs1 ZINC000000432541 296359388 /nfs/dbraw/zinc/35/93/88/296359388.db2.gz KXGTYNGQIMUCBR-WQLSENKSSA-N -1 0 348.836 3.233 50 10 EGCARM O=C([O-])c1ccccc1-c1ccc(C=C2SC(=S)NC2=O)o1 ZINC000000970452 304266484 /nfs/dbraw/zinc/26/64/84/304266484.db2.gz OTBNRWGTJUMXPA-KPKJPENVSA-N -1 0 331.374 3.134 50 10 EGCARM COc1ccc([C@@H]2CC(c3ccc(OC)cc3O)=NN2C(C)=O)cc1 ZINC000000538855 452618187 /nfs/dbraw/zinc/61/81/87/452618187.db2.gz HCJQIPFVSXHCST-SFHVURJKSA-N -1 0 340.379 3.107 50 10 EGCARM COc1ccc(-c2ccc(CCC(=O)[O-])n2C[C@H]2CCCO2)cc1 ZINC000004516931 452806902 /nfs/dbraw/zinc/80/69/02/452806902.db2.gz WUTHILHWWWFWPW-QGZVFWFLSA-N -1 0 329.396 3.360 50 10 EGCARM CC(=O)c1cccc(-n2c(CC(=O)[O-])cc3c2CC(C)(C)CC3=O)c1 ZINC000009422199 453253842 /nfs/dbraw/zinc/25/38/42/453253842.db2.gz FAOFLIYTWVIJMZ-UHFFFAOYSA-N -1 0 339.391 3.462 50 10 EGCARM Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)s1 ZINC000013756180 453487645 /nfs/dbraw/zinc/48/76/45/453487645.db2.gz RFGJUMMSYFUJKE-LCYFTJDESA-N -1 0 326.377 3.031 50 10 EGCARM Cn1cccc1C=C1C(=O)[N-]C(=S)N(c2cccc(Cl)c2)C1=O ZINC000017180670 279367599 /nfs/dbraw/zinc/36/75/99/279367599.db2.gz HVNPYWGQHZTHFA-LCYFTJDESA-N -1 0 345.811 3.350 50 10 EGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000013571491 304656821 /nfs/dbraw/zinc/65/68/21/304656821.db2.gz ANIHMRJCMITPSC-GXDHUFHOSA-N -1 0 326.739 3.006 50 10 EGCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000000086786 304657202 /nfs/dbraw/zinc/65/72/02/304657202.db2.gz QJQDAGSWOQCYLX-FMIVXFBMSA-N -1 0 344.729 3.146 50 10 EGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)cc1C ZINC000006858391 301622898 /nfs/dbraw/zinc/62/28/98/301622898.db2.gz KXSACIINLBKBCI-YBEGLDIGSA-N -1 0 338.338 3.109 50 10 EGCARM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000000072236 452498338 /nfs/dbraw/zinc/49/83/38/452498338.db2.gz FZEDPVSGOPKZDD-WOJGMQOQSA-N -1 0 331.375 3.428 50 10 EGCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1 ZINC000000134647 452517344 /nfs/dbraw/zinc/51/73/44/452517344.db2.gz QUQSYBLTTCLMLB-KPKJPENVSA-N -1 0 349.173 3.160 50 10 EGCARM CCCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](C(=O)[O-])C(C)C ZINC000002121641 452685503 /nfs/dbraw/zinc/68/55/03/452685503.db2.gz CBPWFNJOVAQVIC-QGZVFWFLSA-N -1 0 347.411 3.040 50 10 biogenic EGCARM CCC(CC)C1=NN2C(=NC(=O)/C(=C/c3ccc(O)cc3)C2=N)S1 ZINC000004001153 452790728 /nfs/dbraw/zinc/79/07/28/452790728.db2.gz CLFNQDNNQMDVQA-WVXZETEUSA-N -1 0 342.424 3.448 50 10 EGCARM O=C([O-])c1cc(O)ccc1NC(=O)c1ccccc1Br ZINC000005093110 452836581 /nfs/dbraw/zinc/83/65/81/452836581.db2.gz WHFFXBLUEGUSCO-UHFFFAOYSA-N -1 0 336.141 3.105 50 10 EGCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)o3)C2=O)cc1 ZINC000006784051 452988776 /nfs/dbraw/zinc/98/87/76/452988776.db2.gz XTTXRENTONFBIU-GDNBJRDFSA-N -1 0 340.335 3.493 50 10 EGCARM Cc1cc(C(=O)OC(C)(C)C)c(C)n1-c1ccc(O)c(C(=O)[O-])c1 ZINC000206825930 456018161 /nfs/dbraw/zinc/01/81/61/456018161.db2.gz KJDXUJZOCZHBDN-UHFFFAOYSA-N -1 0 331.368 3.453 50 10 EGCARM Cc1ccc(/C=C2/SC(=S)N(CCCCC(=O)[O-])C2=O)o1 ZINC000001772281 201519121 /nfs/dbraw/zinc/51/91/21/201519121.db2.gz QTNYSWBWSBYLNI-DHZHZOJOSA-N -1 0 325.411 3.044 50 10 EGCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000000966947 298215929 /nfs/dbraw/zinc/21/59/29/298215929.db2.gz UASDPBXQGSOVAT-LWYMYGMPSA-N -1 0 327.814 3.014 50 10 EGCARM Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000000521419 301479728 /nfs/dbraw/zinc/47/97/28/301479728.db2.gz YIRWECYWRIVZMF-WJDWOHSUSA-N -1 0 334.375 3.278 50 10 EGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccsc3)C2=O)cc1Cl ZINC000004703256 452815534 /nfs/dbraw/zinc/81/55/34/452815534.db2.gz PIDHFVKRRKTWHC-SDQBBNPISA-N -1 0 346.795 3.376 50 10 EGCARM O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=Cc1cccs1 ZINC000017027625 453626488 /nfs/dbraw/zinc/62/64/88/453626488.db2.gz UHFQJVBFNDHGCA-UVTDQMKNSA-N -1 0 344.367 3.432 50 10 EGCARM Cn1cccc1C=C1C(=O)[N-]C(=S)N(c2cccc(Cl)c2)C1=O ZINC000001261317 279367781 /nfs/dbraw/zinc/36/77/81/279367781.db2.gz HVNPYWGQHZTHFA-UKTHLTGXSA-N -1 0 345.811 3.350 50 10 EGCARM COc1cccc(N2C(=O)C(=Cc3ccc(C)o3)C(=O)[N-]C2=S)c1 ZINC000000100656 452505820 /nfs/dbraw/zinc/50/58/20/452505820.db2.gz RQKVAEYLXMNUOB-NTEUORMPSA-N -1 0 342.376 3.268 50 10 EGCARM CCOc1ccccc1/C=C1\C(=O)[N-]N(c2cccc(Cl)c2)C1=O ZINC000000356232 452570309 /nfs/dbraw/zinc/57/03/09/452570309.db2.gz ZCFDUTNUSDZTEX-XNTDXEJSSA-N -1 0 342.782 3.200 50 10 EGCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccs1 ZINC000000432540 452591397 /nfs/dbraw/zinc/59/13/97/452591397.db2.gz KXGTYNGQIMUCBR-XYOKQWHBSA-N -1 0 348.836 3.233 50 10 EGCARM CN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)SC1=S ZINC000003044361 452739869 /nfs/dbraw/zinc/73/98/69/452739869.db2.gz RQVQFTISUPZPGU-JYRVWZFOSA-N -1 0 345.401 3.476 50 10 EGCARM CCCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](CCC)C(=O)[O-] ZINC000011866887 453334757 /nfs/dbraw/zinc/33/47/57/453334757.db2.gz BIZSJKMJQGGFJH-HNNXBMFYSA-N -1 0 347.411 3.184 50 10 EGCARM CC(C)CN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC1=S ZINC000012382256 453359901 /nfs/dbraw/zinc/35/99/01/453359901.db2.gz CAJSAWMFPCQONH-SDQBBNPISA-N -1 0 338.410 3.158 50 10 EGCARM Cc1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)s1 ZINC000013635328 453476941 /nfs/dbraw/zinc/47/69/41/453476941.db2.gz WPWXNNZJNPSNSN-JYRVWZFOSA-N -1 0 332.812 3.480 50 10 EGCARM CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cccc(C(=O)[O-])c1 ZINC000015134082 453558739 /nfs/dbraw/zinc/55/87/39/453558739.db2.gz COIGNWCPPHUXBG-BOPFTXTBSA-N -1 0 335.363 3.412 50 10 EGCARM CCC(=O)N[C@@H](c1ccco1)c1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000000452766 1291020175 /nfs/dbraw/zinc/02/01/75/1291020175.db2.gz AUWZTNRVNIEWOZ-KRWDZBQOSA-N -1 0 339.347 3.452 50 10 EGCARM CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc([N+](=O)[O-])ccc1[O-] ZINC000004248211 210150771 /nfs/dbraw/zinc/15/07/71/210150771.db2.gz QSJJHHWOQNOFAN-CYBMUJFWSA-N -1 0 331.353 3.060 50 10 EGCARM O=c1c(C=Nc2ccccn2)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000100609734 203995474 /nfs/dbraw/zinc/99/54/74/203995474.db2.gz OFJQOXZGRZDFKO-ZRDIBKRKSA-N -1 0 332.285 3.343 50 10 EGCARM O=C([O-])CN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S ZINC000000966992 205573513 /nfs/dbraw/zinc/57/35/13/205573513.db2.gz DXADFRHPQBUESF-MDWZMJQESA-N -1 0 329.402 3.126 50 10 EGCARM Cn1cccc1/C=C1\SC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000013769121 453488641 /nfs/dbraw/zinc/48/86/41/453488641.db2.gz OIALTMSAJCBCKD-LCYFTJDESA-N -1 0 344.417 3.129 50 10 EGCARM O=C1c2ccccc2C(=O)C1=C([O-])c1ccc(Br)cc1 ZINC000105428674 454639395 /nfs/dbraw/zinc/63/93/95/454639395.db2.gz ZRENLAMBSWICJE-UHFFFAOYSA-N -1 0 329.149 3.327 50 10 EGCARM CC(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000015769200 1291160115 /nfs/dbraw/zinc/16/01/15/1291160115.db2.gz RHEGZCRTDABJJQ-LDADJPATSA-N -1 0 348.402 3.472 50 10 EGCARM O=S(=O)([N-]c1ccc(F)cc1)c1c2nsnc2ccc1Cl ZINC000032579222 202227604 /nfs/dbraw/zinc/22/76/04/202227604.db2.gz AEPQGYAJRBAISE-UHFFFAOYSA-N -1 0 343.792 3.285 50 10 EGCARM Cc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)o1 ZINC000000270392 292040087 /nfs/dbraw/zinc/04/00/87/292040087.db2.gz UIICAWPUTNYKGD-MDWZMJQESA-N -1 0 330.340 3.399 50 10 EGCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1 ZINC000000194521 304679363 /nfs/dbraw/zinc/67/93/63/304679363.db2.gz PAYSDIVTEWDIFN-WQLSENKSSA-N -1 0 333.174 3.455 50 10 EGCARM Cc1ccccc1/C=C1/SC(=S)N([C@H](C(=O)[O-])C(C)C)C1=O ZINC000001188740 302076087 /nfs/dbraw/zinc/07/60/87/302076087.db2.gz AAUGGRRBBRLVDR-RPHSKFLZSA-N -1 0 335.450 3.305 50 10 EGCARM O=C([O-])c1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000002833773 304231740 /nfs/dbraw/zinc/23/17/40/304231740.db2.gz NUVMJVTVRVSLOZ-JYRVWZFOSA-N -1 0 345.401 3.379 50 10 EGCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)cc1 ZINC000001777268 304245768 /nfs/dbraw/zinc/24/57/68/304245768.db2.gz OUUMKEDTJRCAKV-LCYFTJDESA-N -1 0 342.401 3.186 50 10 EGCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3)C2=O)cc1 ZINC000000444925 280607743 /nfs/dbraw/zinc/60/77/43/280607743.db2.gz OOVWHWMJLZSJKB-SFQUDFHCSA-N -1 0 334.375 3.476 50 10 EGCARM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000000451222 452595786 /nfs/dbraw/zinc/59/57/86/452595786.db2.gz VPCPPVCRLFYLMP-VGOFMYFVSA-N -1 0 349.312 3.293 50 10 EGCARM CC(=S)/C=C1\Sc2ccccc2N1CCCS(=O)(=O)[O-] ZINC000013476553 453466549 /nfs/dbraw/zinc/46/65/49/453466549.db2.gz HDJUUIBHEDZSMB-LCYFTJDESA-N -1 0 329.468 3.108 50 10 EGCARM CCCC[C@@H]([NH2+]Cc1c([O-])ccc2c(CCC)cc(=O)oc21)C(=O)[O-] ZINC000035686314 202307778 /nfs/dbraw/zinc/30/77/78/202307778.db2.gz SWCREEAZBGSOCD-OAHLLOKOSA-N -1 0 347.411 3.184 50 10 EGCARM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Cl)ccc1O ZINC000004997317 201632944 /nfs/dbraw/zinc/63/29/44/201632944.db2.gz FDHWBIOMJMFEHN-JYRVWZFOSA-N -1 0 349.173 3.160 50 10 EGCARM O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=Cc1cccs1 ZINC000004477878 284856027 /nfs/dbraw/zinc/85/60/27/284856027.db2.gz UHFQJVBFNDHGCA-GXDHUFHOSA-N -1 0 344.367 3.432 50 10 EGCARM CC(=O)c1ccc(-n2c(CC(=O)[O-])cc3c2CC(C)(C)CC3=O)cc1 ZINC000008991623 278244437 /nfs/dbraw/zinc/24/44/37/278244437.db2.gz JBRDLIMAPDCNSX-UHFFFAOYSA-N -1 0 339.391 3.462 50 10 EGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccsc3)C2=O)c1 ZINC000000448896 301225429 /nfs/dbraw/zinc/22/54/29/301225429.db2.gz PJAVRTVUFILJHE-RIYZIHGNSA-N -1 0 326.377 3.031 50 10 EGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccsc1 ZINC000000448994 452595800 /nfs/dbraw/zinc/59/58/00/452595800.db2.gz PKJBQRIZEBHIPM-KPKJPENVSA-N -1 0 332.768 3.068 50 10 EGCARM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1cccc2nonc21 ZINC000014225375 453521799 /nfs/dbraw/zinc/52/17/99/453521799.db2.gz ICZNDFSQPXLOBK-UHFFFAOYSA-N -1 0 343.286 3.042 50 10 EGCARM CCc1nnc(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)s1 ZINC000223247825 456055311 /nfs/dbraw/zinc/05/53/11/456055311.db2.gz HEXTULJRCNTIQQ-WQLSENKSSA-N -1 0 347.831 3.472 50 10 EGCARM COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000000296634 452556674 /nfs/dbraw/zinc/55/66/74/452556674.db2.gz GYWPUBYIINRTFX-OQLLNIDSSA-N -1 0 342.782 3.118 50 10 EGCARM O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)cc1 ZINC000000974967 452639427 /nfs/dbraw/zinc/63/94/27/452639427.db2.gz XXOSNTFGLAKMFZ-KPKJPENVSA-N -1 0 331.374 3.134 50 10 EGCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000001879097 452681449 /nfs/dbraw/zinc/68/14/49/452681449.db2.gz NWAYTNUYCCYKRC-YBEGLDIGSA-N -1 0 337.379 3.334 50 10 EGCARM CCCCN1C(=O)[N-]C(=O)C(=Cc2cn(CC)c3ccccc23)C1=O ZINC000002372198 452694349 /nfs/dbraw/zinc/69/43/49/452694349.db2.gz CRYBDENLHSNWOW-RVDMUPIBSA-N -1 0 339.395 3.128 50 10 EGCARM O=[N+]([O-])c1ccc([O-])c(CN2CCN(c3ccccc3Cl)CC2)c1 ZINC000004980522 452829597 /nfs/dbraw/zinc/82/95/97/452829597.db2.gz YTDPQVUOOVVVNI-UHFFFAOYSA-N -1 0 347.802 3.276 50 10 EGCARM CCc1cccc2c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c[nH]c21 ZINC000013942047 453493066 /nfs/dbraw/zinc/49/30/66/453493066.db2.gz GBEPXLGIPYCENK-SDQBBNPISA-N -1 0 346.433 3.016 50 10 EGCARM CCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](CC(C)C)C(=O)[O-] ZINC000004039855 210105619 /nfs/dbraw/zinc/10/56/19/210105619.db2.gz IQZDVXSHBFSQBL-OAHLLOKOSA-N -1 0 347.411 3.040 50 10 biogenic EGCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=Cc1ccc(O)cc1 ZINC000009059099 135647472 /nfs/dbraw/zinc/64/74/72/135647472.db2.gz KYFOYHGUQYIOFT-XFXZXTDPSA-N -1 0 326.283 3.038 50 10 EGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)cc1C ZINC000000450247 301622918 /nfs/dbraw/zinc/62/29/18/301622918.db2.gz KXSACIINLBKBCI-MHWRWJLKSA-N -1 0 338.338 3.109 50 10 EGCARM CCOc1ccc(N2C(=O)C(=Cc3ccco3)C(=O)[N-]C2=S)cc1 ZINC000000229378 452542920 /nfs/dbraw/zinc/54/29/20/452542920.db2.gz RECXNVIDPLENGY-GXDHUFHOSA-N -1 0 342.376 3.350 50 10 EGCARM Cc1oc(C(=O)[O-])cc1COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000002482289 452700453 /nfs/dbraw/zinc/70/04/53/452700453.db2.gz BRRJIEYERFLKTI-UHFFFAOYSA-N -1 0 340.331 3.460 50 10 biogenic EGCARM C=C(c1ccc(C)c(C)c1)C1SC(=S)N(CCC(=O)[O-])C1=O ZINC000002700356 452714520 /nfs/dbraw/zinc/71/45/20/452714520.db2.gz AZZNBYKDQQUSRP-KAMYIIQDSA-N -1 0 335.450 3.369 50 10 EGCARM Cc1nc(N)sc1-c1csc(Nc2ccc(O)c(C(=O)[O-])c2)n1 ZINC000002860517 452729889 /nfs/dbraw/zinc/72/98/89/452729889.db2.gz IEGVIRSLQSDXLE-UHFFFAOYSA-N -1 0 348.409 3.305 50 10 EGCARM Cc1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000005543136 452882530 /nfs/dbraw/zinc/88/25/30/452882530.db2.gz NKDUEKMILMQTRX-DHDCSXOGSA-N -1 0 326.783 3.418 50 10 EGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000013777592 453488599 /nfs/dbraw/zinc/48/85/99/453488599.db2.gz JXBLCRKRNDYWHK-JLHYYAGUSA-N -1 0 340.310 3.341 50 10 EGCARM O=c1[nH]nc2[n-]c3c(c(-c4ccc([N+](=O)[O-])o4)c1-2)C(=O)c1ccccc1-3 ZINC000018196258 453647654 /nfs/dbraw/zinc/64/76/54/453647654.db2.gz HQENNOQCIIWUTR-UHFFFAOYSA-N -1 0 348.274 3.043 50 10 EGCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/C=C/c2ccco2)SC1=S ZINC000004356984 210178815 /nfs/dbraw/zinc/17/88/15/210178815.db2.gz VXDQDIVHBFUZKI-WYSOHPGQSA-N -1 0 337.422 3.146 50 10 EGCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cccs1 ZINC000009059094 284855003 /nfs/dbraw/zinc/85/50/03/284855003.db2.gz GYIGZACWAPWURC-JYRVWZFOSA-N -1 0 330.340 3.390 50 10 EGCARM CCc1ccc(N2C=C(C(=O)[O-])S(=O)(=O)c3cc(F)ccc32)cc1 ZINC000067340722 288539954 /nfs/dbraw/zinc/53/99/54/288539954.db2.gz VPQBECIZVDBOFW-UHFFFAOYSA-N -1 0 347.367 3.240 50 10 EGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cccc(F)c3)C2=O)c1 ZINC000000449060 301225252 /nfs/dbraw/zinc/22/52/52/301225252.db2.gz BBUPIIXWPANYHS-MHWRWJLKSA-N -1 0 338.338 3.109 50 10 EGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000000179627 452528662 /nfs/dbraw/zinc/52/86/62/452528662.db2.gz NNGIIPOGKFNWEH-XNTDXEJSSA-N -1 0 340.766 3.315 50 10 EGCARM O=C1NC(=S)S/C1=C\C(Cl)=C\c1ccc([N+](=O)[O-])cc1 ZINC000001093048 452644537 /nfs/dbraw/zinc/64/45/37/452644537.db2.gz BDSAFOVDXBFDHY-UQZKWGPRSA-N -1 0 326.786 3.206 50 10 EGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000002255668 452689773 /nfs/dbraw/zinc/68/97/73/452689773.db2.gz SGGCZVMEOZFAQS-XNTDXEJSSA-N -1 0 331.331 3.039 50 10 EGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cl)C2=O)cc1 ZINC000004704561 452815327 /nfs/dbraw/zinc/81/53/27/452815327.db2.gz SLMUOXAFRDNXOD-GXDHUFHOSA-N -1 0 340.766 3.315 50 10 EGCARM Cc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000014011063 453498452 /nfs/dbraw/zinc/49/84/52/453498452.db2.gz MCGUHWNXFONWKF-GZTJUZNOSA-N -1 0 334.375 3.278 50 10 EGCARM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1cccc2nonc21 ZINC000014255046 453526322 /nfs/dbraw/zinc/52/63/22/453526322.db2.gz JLSSMNOXUBMKAG-UHFFFAOYSA-N -1 0 344.179 3.330 50 10 EGCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1nc2ccccc2n1C ZINC000100464023 454466187 /nfs/dbraw/zinc/46/61/87/454466187.db2.gz HYKHDMTTXOOOJT-BZROSYFNSA-N -1 0 332.367 3.448 50 10 EGCARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000101346697 454470115 /nfs/dbraw/zinc/47/01/15/454470115.db2.gz NEMBDLSBQZACPI-UVTDQMKNSA-N -1 0 340.314 3.452 50 10 EGCARM CCOC(=O)Cn1c(CCC(=O)[O-])ccc1-c1ccc(Cl)cc1 ZINC000000470641 452601998 /nfs/dbraw/zinc/60/19/98/452601998.db2.gz BZKZFMMSXHQECA-UHFFFAOYSA-N -1 0 335.787 3.389 50 10 EGCARM Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000013785601 453487919 /nfs/dbraw/zinc/48/79/19/453487919.db2.gz MBIXXZHUJVLWHK-ZSOIEALJSA-N -1 0 329.787 3.441 50 10 EGCARM Cc1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000015659229 1291155188 /nfs/dbraw/zinc/15/51/88/1291155188.db2.gz PZWTUGLZICMLCN-LFIBNONCSA-N -1 0 345.358 3.143 50 10 EGCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)c1 ZINC000001849299 209798589 /nfs/dbraw/zinc/79/85/89/209798589.db2.gz DLELYCJOLSUSSN-LCYFTJDESA-N -1 0 342.401 3.186 50 10 EGCARM O=C1[N-]C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)N1 ZINC000008974182 211024371 /nfs/dbraw/zinc/02/43/71/211024371.db2.gz FPGWJDJJATWIGG-UHFFFAOYSA-N -1 0 345.358 3.279 50 10 biogenic EGCARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000008742734 453230774 /nfs/dbraw/zinc/23/07/74/453230774.db2.gz TZJGBNZNFZYKJQ-UHFFFAOYSA-N -1 0 343.770 3.337 50 10 EGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccco3)C2=O)cc1 ZINC000009334881 453248387 /nfs/dbraw/zinc/24/83/87/453248387.db2.gz NYQNGPHWQJJDTO-RPGBBNPCSA-N -1 0 338.319 3.351 50 10 EGCARM COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000013774106 453487777 /nfs/dbraw/zinc/48/77/77/453487777.db2.gz URQKCKQDZPBOMW-ZRDIBKRKSA-N -1 0 340.310 3.341 50 10 EGCARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1 ZINC000015930673 453589763 /nfs/dbraw/zinc/58/97/63/453589763.db2.gz TXWKQGYAZQJCPO-YBEGLDIGSA-N -1 0 340.314 3.452 50 10 EGCARM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)C1=CC=Cc1ccco1 ZINC000017043054 453625965 /nfs/dbraw/zinc/62/59/65/453625965.db2.gz ADIAHUJSBVIDEF-NTOUICHMSA-N -1 0 326.283 3.482 50 10 EGCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3cc(Cl)ccc3O)C2=O)cc1C ZINC000004460729 210195600 /nfs/dbraw/zinc/19/56/00/210195600.db2.gz CCYNQATWMVMIPY-DHDCSXOGSA-N -1 0 342.782 3.124 50 10 EGCARM Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000004117508 210123726 /nfs/dbraw/zinc/12/37/26/210123726.db2.gz HUPZMPORJIMUGA-ZSOIEALJSA-N -1 0 342.376 3.116 50 10 EGCARM CN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)SC1=S ZINC000004655851 289790390 /nfs/dbraw/zinc/79/03/90/289790390.db2.gz NALJHIBBHFGEQC-MDWZMJQESA-N -1 0 345.401 3.476 50 10 EGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1 ZINC000000100702 452505966 /nfs/dbraw/zinc/50/59/66/452505966.db2.gz DENKAGNNYVMEJL-XYOKQWHBSA-N -1 0 341.279 3.003 50 10 EGCARM CC(=C\c1ccccc1)/C=C1\SC(=S)N([C@H](C)C(=O)[O-])C1=O ZINC000002532882 452704382 /nfs/dbraw/zinc/70/43/82/452704382.db2.gz VPOZDTXBXSBCDW-PJUDCECBSA-N -1 0 333.434 3.307 50 10 EGCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(F)cc3)C2=O)cc1Cl ZINC000004502140 452806971 /nfs/dbraw/zinc/80/69/71/452806971.db2.gz DNSDAHRIXOHAQY-ZSOIEALJSA-N -1 0 330.746 3.249 50 10 EGCARM CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cc([N+](=O)[O-])ccc1[O-] ZINC000004248212 210150863 /nfs/dbraw/zinc/15/08/63/210150863.db2.gz WUJQCBQAKUHWKM-ZDUSSCGKSA-N -1 0 345.380 3.450 50 10 EGCARM O=C([O-])CN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S ZINC000000966941 304066488 /nfs/dbraw/zinc/06/64/88/304066488.db2.gz MCMUUPOKFPCOKG-RUDMXATFSA-N -1 0 348.232 3.279 50 10 EGCARM C=C(c1ccc(Cl)cc1)C1SC(=S)N(CCC(=O)[O-])C1=O ZINC000002510380 452701655 /nfs/dbraw/zinc/70/16/55/452701655.db2.gz CSGAKQZSIYALLZ-XYOKQWHBSA-N -1 0 341.841 3.406 50 10 EGCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001236380 280186690 /nfs/dbraw/zinc/18/66/90/280186690.db2.gz MRVNIMNARZNNMR-ABRRARGCSA-N -1 0 327.452 3.059 50 10 EGCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S ZINC000000966982 298215709 /nfs/dbraw/zinc/21/57/09/298215709.db2.gz ODZDWXHAWODHQZ-LWYMYGMPSA-N -1 0 327.814 3.014 50 10 EGCARM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000000356229 452569947 /nfs/dbraw/zinc/56/99/47/452569947.db2.gz AZEDIJRJAPSNFS-NTEUORMPSA-N -1 0 333.174 3.455 50 10 EGCARM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000014257184 453527925 /nfs/dbraw/zinc/52/79/25/453527925.db2.gz WMKBMGUCLLIACT-UHFFFAOYSA-N -1 0 331.397 3.455 50 10 EGCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000000966921 209695547 /nfs/dbraw/zinc/69/55/47/209695547.db2.gz CDYUPXAPPDEIKP-OQFOIZHKSA-N -1 0 348.232 3.279 50 10 EGCARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000000344835 452568653 /nfs/dbraw/zinc/56/86/53/452568653.db2.gz LDJUKZFDLRSGIK-NVNXTCNLSA-N -1 0 337.766 3.283 50 10 EGCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000000974447 452639143 /nfs/dbraw/zinc/63/91/43/452639143.db2.gz TWRCCMVAWAFZFA-HQQGHWSLSA-N -1 0 339.413 3.280 50 10 EGCARM COc1ccc(N2C(=O)C(=Cc3cccs3)C(=O)[N-]C2=S)cc1 ZINC000001247089 452648955 /nfs/dbraw/zinc/64/89/55/452648955.db2.gz CHHLHFPUVAGRDH-UKTHLTGXSA-N -1 0 344.417 3.428 50 10 EGCARM CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccco2)SC1=S ZINC000004745666 452816928 /nfs/dbraw/zinc/81/69/28/452816928.db2.gz OBXUPGFMBXWKFX-MXBGMFSPSA-N -1 0 325.411 3.124 50 10 EGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)cc1Cl ZINC000006173956 452925351 /nfs/dbraw/zinc/92/53/51/452925351.db2.gz QGIQCZMETRYSSY-WQLSENKSSA-N -1 0 346.795 3.376 50 10 EGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)s1 ZINC000015798855 453585876 /nfs/dbraw/zinc/58/58/76/453585876.db2.gz DLFPKTZDAZRWMY-MDWZMJQESA-N -1 0 346.795 3.376 50 10 EGCARM Cc1ccc(/C=C2/SC(=S)N([C@@H](CC(C)C)C(=O)[O-])C2=O)o1 ZINC000004291539 210162745 /nfs/dbraw/zinc/16/27/45/210162745.db2.gz JNIMKNGJTLPZDR-WBOGTDJTSA-N -1 0 339.438 3.289 50 10 EGCARM CCCCCCN1C(=O)[N-]C(=O)C(=Cc2nc3ccccc3[nH]2)C1=O ZINC000008970985 211024352 /nfs/dbraw/zinc/02/43/52/211024352.db2.gz SRPLRTFVDCRCPT-QXMHVHEDSA-N -1 0 340.383 3.445 50 10 EGCARM Cc1ccc(N2C(=O)/C(=C/c3ccccc3C)C(=O)[N-]C2=S)cc1 ZINC000000447560 292126696 /nfs/dbraw/zinc/12/66/96/292126696.db2.gz NQROKIKZGKZYIB-LFIBNONCSA-N -1 0 336.416 3.135 50 10 EGCARM Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)s1 ZINC000013773991 301479420 /nfs/dbraw/zinc/47/94/20/301479420.db2.gz UQRSWKXHTMYYJP-JYRVWZFOSA-N -1 0 346.795 3.376 50 10 EGCARM Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000001092443 452645498 /nfs/dbraw/zinc/64/54/98/452645498.db2.gz NEGHUUSPBWXHOY-MHWRWJLKSA-N -1 0 341.436 3.484 50 10 EGCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)o3)C2=O)cc1 ZINC000001241592 452648641 /nfs/dbraw/zinc/64/86/41/452648641.db2.gz XTTXRENTONFBIU-XNTDXEJSSA-N -1 0 340.335 3.493 50 10 EGCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000001870846 452680930 /nfs/dbraw/zinc/68/09/30/452680930.db2.gz IKSSQUDPQCNNNX-PKNBQFBNSA-N -1 0 325.411 3.126 50 10 EGCARM CC(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000005508707 452877785 /nfs/dbraw/zinc/87/77/85/452877785.db2.gz FTLADEQPUNESHX-UHFFFAOYSA-N -1 0 335.381 3.015 50 10 EGCARM O=C([O-])c1cc(N2C(=O)/C(=C\c3ccco3)SC2=S)ccc1O ZINC000004356920 210178674 /nfs/dbraw/zinc/17/86/74/210178674.db2.gz POCZJMHZDYVIMR-KPKJPENVSA-N -1 0 347.373 3.089 50 10 EGCARM CCc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)NC3=O)c2C)cc1 ZINC000008997408 211030051 /nfs/dbraw/zinc/03/00/51/211030051.db2.gz VRDCGIBYALCRFY-UHFFFAOYSA-N -1 0 337.379 3.246 50 10 EGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)c1 ZINC000008913810 211016746 /nfs/dbraw/zinc/01/67/46/211016746.db2.gz SZRYJQCKVOJONX-XYOKQWHBSA-N -1 0 341.279 3.003 50 10 EGCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\C=C\c1ccccc1 ZINC000016309490 284865622 /nfs/dbraw/zinc/86/56/22/284865622.db2.gz RAGJGJAXSOVRAX-SBFJKYRKSA-N -1 0 334.400 3.074 50 10 EGCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(F)c3)C2=O)cc1 ZINC000004704222 288539283 /nfs/dbraw/zinc/53/92/83/288539283.db2.gz UHGZKRQYAJSXLV-WJDWOHSUSA-N -1 0 338.338 3.055 50 10 EGCARM CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000000073691 452498127 /nfs/dbraw/zinc/49/81/27/452498127.db2.gz RLATVRWIMQNEFC-UHFFFAOYSA-N -1 0 349.408 3.189 50 10 EGCARM CCc1ccc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1 ZINC000000304078 452558562 /nfs/dbraw/zinc/55/85/62/452558562.db2.gz GGQLVMLCOWGFLH-MHWRWJLKSA-N -1 0 326.783 3.364 50 10 EGCARM Cc1ccsc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(F)c2)C1=O ZINC000000573847 452627868 /nfs/dbraw/zinc/62/78/68/452627868.db2.gz UIONZSKNKGJARM-XYOKQWHBSA-N -1 0 346.408 3.027 50 10 EGCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1 ZINC000002967468 452739190 /nfs/dbraw/zinc/73/91/90/452739190.db2.gz ZNYBPOMVPNFNES-ZRDIBKRKSA-N -1 0 326.739 3.006 50 10 EGCARM CCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2[O-])SC1=S ZINC000003152417 452746706 /nfs/dbraw/zinc/74/67/06/452746706.db2.gz UNSMONWJLBZONB-FLIBITNWSA-N -1 0 338.410 3.302 50 10 EGCARM CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1cccc(C(=O)[O-])c1 ZINC000015930684 453589698 /nfs/dbraw/zinc/58/96/98/453589698.db2.gz DXNOKQRWUGTDMH-YBEGLDIGSA-N -1 0 339.326 3.242 50 10 EGCARM Cc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000001187972 301480010 /nfs/dbraw/zinc/48/00/10/301480010.db2.gz DSYUHLFGNFCTBN-LLBKUYECSA-N -1 0 335.450 3.305 50 10 EGCARM Cc1ccccc1/C=C1\SC(=S)N([C@H](C(=O)[O-])C(C)C)C1=O ZINC000001188742 302076226 /nfs/dbraw/zinc/07/62/26/302076226.db2.gz AAUGGRRBBRLVDR-FSBNRTBOSA-N -1 0 335.450 3.305 50 10 EGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CC=Cc2ccccc2)C1=O ZINC000000192693 302104003 /nfs/dbraw/zinc/10/40/03/302104003.db2.gz IJDWGUKHHJFWNA-DNRGFCISSA-N -1 0 332.359 3.218 50 10 EGCARM CCOc1cccc(N2C(=O)C(=Cc3ccco3)C(=O)[N-]C2=S)c1 ZINC000000114640 452510547 /nfs/dbraw/zinc/51/05/47/452510547.db2.gz MLDNPPVULZTXCG-GXDHUFHOSA-N -1 0 342.376 3.350 50 10 EGCARM Cc1ccc(C(=O)[O-])cc1-c1ccc(C=C2SC(=S)NC2=O)o1 ZINC000001107156 452645992 /nfs/dbraw/zinc/64/59/92/452645992.db2.gz JAHOUDQARBXBMK-QPEQYQDCSA-N -1 0 345.401 3.442 50 10 EGCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=CC=Cc2ccco2)C1=O ZINC000009014297 453239934 /nfs/dbraw/zinc/23/99/34/453239934.db2.gz SHTVFFSGJJLIFG-GVVZRPPFSA-N -1 0 338.319 3.351 50 10 EGCARM Cc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000014010790 453497745 /nfs/dbraw/zinc/49/77/45/453497745.db2.gz NFWCCIXYFOLUBW-GDNBJRDFSA-N -1 0 340.766 3.315 50 10 EGCARM O=C([O-])CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000016310465 453600024 /nfs/dbraw/zinc/60/00/24/453600024.db2.gz QQSOHHXEKGNSCC-VEJZVKIUSA-N -1 0 333.434 3.309 50 10 EGCARM Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2ccco2)S1 ZINC000054164360 214221128 /nfs/dbraw/zinc/22/11/28/214221128.db2.gz IPEVPLUMTRTIGZ-MDWZMJQESA-N -1 0 328.349 3.369 50 10 EGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000004704552 301480099 /nfs/dbraw/zinc/48/00/99/301480099.db2.gz XJJMXLNHAVZAIZ-GZTJUZNOSA-N -1 0 334.375 3.278 50 10 EGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4ccccc4[nH]3)C2=O)cc1 ZINC000000478367 452603770 /nfs/dbraw/zinc/60/37/70/452603770.db2.gz OKVLARLGMKELSE-LFIBNONCSA-N -1 0 345.358 3.143 50 10 EGCARM Cc1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000001187969 452647066 /nfs/dbraw/zinc/64/70/66/452647066.db2.gz DSYUHLFGNFCTBN-FSBNRTBOSA-N -1 0 335.450 3.305 50 10 EGCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000001282608 452651170 /nfs/dbraw/zinc/65/11/70/452651170.db2.gz AWYAJFOUCXQWFN-BPLGCGBFSA-N -1 0 346.433 3.232 50 10 EGCARM O=C([O-])CN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S ZINC000018008817 453641226 /nfs/dbraw/zinc/64/12/26/453641226.db2.gz DEVMXEUEEMYLLB-SQXCDDPUSA-N -1 0 339.825 3.095 50 10 EGCARM Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1ccccc1[N+](=O)[O-] ZINC000100563686 219101958 /nfs/dbraw/zinc/10/19/58/219101958.db2.gz FMUNRBGNDIUVJJ-HNNXBMFYSA-N -1 0 327.365 3.478 50 10 EGCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/C=C/c2ccco2)SC1=S ZINC000004356977 210178582 /nfs/dbraw/zinc/17/85/82/210178582.db2.gz HNQROABKCCEDEW-VZUMNITHSA-N -1 0 337.422 3.290 50 10 EGCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000001770108 280186944 /nfs/dbraw/zinc/18/69/44/280186944.db2.gz FVLKKHRUPRHFJS-SEVUFMINSA-N -1 0 339.413 3.136 50 10 EGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000013039782 301480014 /nfs/dbraw/zinc/48/00/14/301480014.db2.gz YIRWECYWRIVZMF-LFIBNONCSA-N -1 0 334.375 3.278 50 10 EGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc([N+](=O)[O-])o2)C1=O ZINC000000084205 302103715 /nfs/dbraw/zinc/10/37/15/302103715.db2.gz NKCUHGFOPNRWOP-DHZHZOJOSA-N -1 0 341.279 3.003 50 10 EGCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)c1 ZINC000002446749 452697201 /nfs/dbraw/zinc/69/72/01/452697201.db2.gz IPYQKUSAYRQBNG-JYRVWZFOSA-N -1 0 342.401 3.186 50 10 EGCARM Cc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1C[C@@H](C)O[C@H](C)C1 ZINC000019791731 453659962 /nfs/dbraw/zinc/65/99/62/453659962.db2.gz SAJYOPWDHYJDOJ-GHMZBOCLSA-N -1 0 337.803 3.070 50 10 EGCARM O=C([O-])C1=C([N+](=O)[O-])C(=O)C=CC1=NNc1ccc([N+](=O)[O-])cc1 ZINC000670430011 548214925 /nfs/dbraw/zinc/21/49/25/548214925.db2.gz YSRCXQKNMICOSB-CCEZHUSRSA-N -1 0 332.228 3.322 50 10 EGCARM COC(=O)c1ccc(NC=C2C(C)=NN(c3ccccc3)C2=O)cc1 ZINC000100281613 219096018 /nfs/dbraw/zinc/09/60/18/219096018.db2.gz LRAAXHGBZDXPBZ-ATVHPVEESA-N -1 0 335.363 3.192 50 10 EGCARM Cc1ccc(/C=C2/SC(=S)N([C@H](CC(C)C)C(=O)[O-])C2=O)o1 ZINC000004291540 210162788 /nfs/dbraw/zinc/16/27/88/210162788.db2.gz JNIMKNGJTLPZDR-LAPSENCUSA-N -1 0 339.438 3.289 50 10 EGCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000005046851 210374718 /nfs/dbraw/zinc/37/47/18/210374718.db2.gz UULQWQZZJJLJPF-PDGQHHTCSA-N -1 0 349.390 3.257 50 10 EGCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000005835572 280186936 /nfs/dbraw/zinc/18/69/36/280186936.db2.gz DOTHHFGGTSRPGO-YTRUQHMWSA-N -1 0 339.413 3.136 50 10 EGCARM COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@H](C)C(=O)[O-])ccc21 ZINC000000088648 452503698 /nfs/dbraw/zinc/50/36/98/452503698.db2.gz IQIYKIMABPAWBH-SNVBAGLBSA-N -1 0 328.320 3.115 50 10 biogenic EGCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cccs1 ZINC000004821782 452818914 /nfs/dbraw/zinc/81/89/14/452818914.db2.gz GYIGZACWAPWURC-MDWZMJQESA-N -1 0 330.340 3.390 50 10 EGCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccs2)SC1=S ZINC000005547572 452883289 /nfs/dbraw/zinc/88/32/89/452883289.db2.gz RTQIHKNMLBAXSB-HZAKCSEPSA-N -1 0 327.452 3.203 50 10 EGCARM COc1cccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccco3)C2=O)c1 ZINC000017042608 453626131 /nfs/dbraw/zinc/62/61/31/453626131.db2.gz UNEUCEBISLGIQR-RNEAAXAUSA-N -1 0 338.319 3.351 50 10 EGCARM COc1ccccc1/C=C1/C(=O)[N-]N(c2ccc(C)c(Cl)c2)C1=O ZINC000027501178 453817102 /nfs/dbraw/zinc/81/71/02/453817102.db2.gz NBDLDYJDFDHMBV-ZROIWOOFSA-N -1 0 342.782 3.118 50 10 EGCARM O=C([O-])C1=NN(c2ccccc2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000023114645 212349903 /nfs/dbraw/zinc/34/99/03/212349903.db2.gz VVFMCHYHHYHXQM-GDNBJRDFSA-N -1 0 331.331 3.039 50 10 biogenic EGCARM CC(=O)N[C@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000000087179 278176424 /nfs/dbraw/zinc/17/64/24/278176424.db2.gz IKICXBRNLCTRJL-MRXNPFEDSA-N -1 0 337.335 3.074 50 10 EGCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000005835105 279799721 /nfs/dbraw/zinc/79/97/21/279799721.db2.gz DOTHHFGGTSRPGO-VNKGSWCUSA-N -1 0 339.413 3.136 50 10 EGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000008973212 304655492 /nfs/dbraw/zinc/65/54/92/304655492.db2.gz VWBLZWIJPKTKPD-BENRWUELSA-N -1 0 332.319 3.070 50 10 EGCARM O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Cl)c([O-])c(Cl)c1 ZINC000000092789 452504397 /nfs/dbraw/zinc/50/43/97/452504397.db2.gz IOGZNWGDOIDTMB-UHFFFAOYSA-N -1 0 343.162 3.453 50 10 EGCARM CCC(=O)N[C@@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000000087313 452504781 /nfs/dbraw/zinc/50/47/81/452504781.db2.gz NVKXHMNIODKIRH-OAHLLOKOSA-N -1 0 341.323 3.057 50 10 EGCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccs1 ZINC000000228864 452542763 /nfs/dbraw/zinc/54/27/63/452542763.db2.gz JOMFAVOGAJWDRD-XYOKQWHBSA-N -1 0 348.836 3.233 50 10 EGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccccc1 ZINC000000459549 452598615 /nfs/dbraw/zinc/59/86/15/452598615.db2.gz NBUFXEWVULAYRF-LHQXNBGVSA-N -1 0 336.322 3.048 50 10 EGCARM COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(C)=O)cc1OC ZINC000000541959 452618228 /nfs/dbraw/zinc/61/82/28/452618228.db2.gz VOOIVILQOWPJQS-MRXNPFEDSA-N -1 0 340.379 3.107 50 10 EGCARM O=C([N-]N1C(=O)/C(=C\c2ccccc2)SC1=S)c1cccs1 ZINC000001412511 452662176 /nfs/dbraw/zinc/66/21/76/452662176.db2.gz QBUNCRITSOVLGY-FMIVXFBMSA-N -1 0 346.458 3.294 50 10 EGCARM CN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)SC1=S ZINC000002850196 452730018 /nfs/dbraw/zinc/73/00/18/452730018.db2.gz SAARDBICRTYIIQ-JYRVWZFOSA-N -1 0 345.401 3.476 50 10 EGCARM Cc1c(C(=O)[O-])cccc1-c1ccc(C=C2SC(=O)NC2=O)o1 ZINC000004680649 210246413 /nfs/dbraw/zinc/24/64/13/210246413.db2.gz QDSSPOBUWOXOBT-QPEQYQDCSA-N -1 0 329.333 3.277 50 10 EGCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000000966858 304048535 /nfs/dbraw/zinc/04/85/35/304048535.db2.gz NUQFKDQDRDRLHV-FLIBITNWSA-N -1 0 341.841 3.406 50 10 EGCARM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000004996469 210354772 /nfs/dbraw/zinc/35/47/72/210354772.db2.gz GMNZHMFLGNAZSL-DHDCSXOGSA-N -1 0 337.766 3.283 50 10 EGCARM Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000000073237 452498227 /nfs/dbraw/zinc/49/82/27/452498227.db2.gz CCMBZGMMXFEAIB-VGOFMYFVSA-N -1 0 326.312 3.023 50 10 EGCARM COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000013774034 453488294 /nfs/dbraw/zinc/48/82/94/453488294.db2.gz CNLQJLIWUSHMNC-GXDHUFHOSA-N -1 0 340.310 3.341 50 10 EGCARM Cn1cccc1/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O ZINC000013776945 453488735 /nfs/dbraw/zinc/48/87/35/453488735.db2.gz SIPBRPUXOIRLKJ-LCYFTJDESA-N -1 0 344.417 3.129 50 10 EGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(F)c1 ZINC000015745939 453584225 /nfs/dbraw/zinc/58/42/25/453584225.db2.gz ONZXCPIOKCTWNU-NTEUORMPSA-N -1 0 344.729 3.146 50 10 EGCARM Nc1[n-]n2c(nc3c(c2=O)CCC3)c1N=Nc1cccc(Cl)c1 ZINC000004649609 210237244 /nfs/dbraw/zinc/23/72/44/210237244.db2.gz AANGHPAJPMERSQ-FMQUCBEESA-N -1 0 328.763 3.162 50 10 EGCARM COC(=O)c1ccccc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100821571 219107842 /nfs/dbraw/zinc/10/78/42/219107842.db2.gz HLQXYIORVIMPJT-FOWTUZBSSA-N -1 0 335.363 3.192 50 10 EGCARM Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)o1 ZINC000017181087 453631147 /nfs/dbraw/zinc/63/11/47/453631147.db2.gz OHZRROPSBIGXIR-JYRVWZFOSA-N -1 0 344.754 3.421 50 10 EGCARM Cc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000017242091 453631182 /nfs/dbraw/zinc/63/11/82/453631182.db2.gz WAYYVROMXWDPPM-JYRVWZFOSA-N -1 0 346.795 3.073 50 10 EGCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/C=C/c1ccccc1 ZINC000000503897 304657140 /nfs/dbraw/zinc/65/71/40/304657140.db2.gz RXXCIPADXRALFH-UYQSWCAZSA-N -1 0 336.322 3.048 50 10 EGCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 ZINC000000444164 452593424 /nfs/dbraw/zinc/59/34/24/452593424.db2.gz MLPFYGXSXOJKHY-GHRIWEEISA-N -1 0 330.343 3.408 50 10 EGCARM CC(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1 ZINC000000966863 452639097 /nfs/dbraw/zinc/63/90/97/452639097.db2.gz VMWUFJNJWBGKCB-UKTHLTGXSA-N -1 0 335.450 3.486 50 10 EGCARM Cc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)o1 ZINC000001240600 452649332 /nfs/dbraw/zinc/64/93/32/452649332.db2.gz DSCDAEBOHWEYQR-DHZHZOJOSA-N -1 0 330.340 3.399 50 10 EGCARM Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000015012472 453550212 /nfs/dbraw/zinc/55/02/12/453550212.db2.gz NRHJOUCEFHPYLD-NSIKDUERSA-N -1 0 333.750 3.067 50 10 EGCARM Cc1cc2cc([N-]S(=O)(=O)c3cccc4nsnc43)ccc2[nH]1 ZINC000031721905 453852469 /nfs/dbraw/zinc/85/24/69/453852469.db2.gz DTCAHAMRWUMQGJ-UHFFFAOYSA-N -1 0 344.421 3.282 50 10 EGCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(F)cc1[N+](=O)[O-] ZINC000102580688 454510205 /nfs/dbraw/zinc/51/02/05/454510205.db2.gz ZXRCZAGMGJMIPK-UVTDQMKNSA-N -1 0 340.314 3.452 50 10 EGCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1 ZINC000000459258 1291019889 /nfs/dbraw/zinc/01/98/89/1291019889.db2.gz ZNYBPOMVPNFNES-BENRWUELSA-N -1 0 326.739 3.006 50 10 EGCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/C=C/c2ccco2)SC1=S ZINC000004356981 210179179 /nfs/dbraw/zinc/17/91/79/210179179.db2.gz VXDQDIVHBFUZKI-IHOMRZGLSA-N -1 0 337.422 3.146 50 10 EGCARM CCc1ccc(CC)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC000000073709 258047436 /nfs/dbraw/zinc/04/74/36/258047436.db2.gz LWFJDIDSRSLZTE-UHFFFAOYSA-N -1 0 349.408 3.016 50 10 EGCARM CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@H](C)C(=O)[O-])C1=O ZINC000006455560 277928872 /nfs/dbraw/zinc/92/88/72/277928872.db2.gz VPOZDTXBXSBCDW-LHLDWNAVSA-N -1 0 333.434 3.307 50 10 EGCARM CCc1cc2c3ccccc3c(=O)oc2c(CN2CCOCC2)c1[O-] ZINC000019790605 281388565 /nfs/dbraw/zinc/38/85/65/281388565.db2.gz UCSWEPKHZVLRCQ-UHFFFAOYSA-N -1 0 339.391 3.046 50 10 EGCARM Cc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000014011214 302076250 /nfs/dbraw/zinc/07/62/50/302076250.db2.gz RGYCXNARJMLBFR-XNTDXEJSSA-N -1 0 340.766 3.315 50 10 EGCARM Cc1ccsc1C=C1C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000000451399 452595260 /nfs/dbraw/zinc/59/52/60/452595260.db2.gz WFFCOHDWNUSYBC-NTEUORMPSA-N -1 0 340.404 3.340 50 10 EGCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)[nH]1 ZINC000001293951 452651306 /nfs/dbraw/zinc/65/13/06/452651306.db2.gz QNSCALFNFLCAKT-NTEUORMPSA-N -1 0 325.393 3.303 50 10 EGCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000002407254 452696207 /nfs/dbraw/zinc/69/62/07/452696207.db2.gz HVDIVKIUSAWTNZ-HQQGHWSLSA-N -1 0 339.413 3.280 50 10 EGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)cc1C ZINC000004704475 452815513 /nfs/dbraw/zinc/81/55/13/452815513.db2.gz BQJUXLKXOSSYIS-ZROIWOOFSA-N -1 0 326.377 3.031 50 10 EGCARM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1cccs1 ZINC000006132952 452923619 /nfs/dbraw/zinc/92/36/19/452923619.db2.gz AHDHDPGWDOPSQO-NTMALXAHSA-N -1 0 348.836 3.233 50 10 EGCARM CCCCN1C(=O)[N-]C(=O)C(=Cc2ccc3c(c2)CCN3CC)C1=O ZINC000006240820 452926630 /nfs/dbraw/zinc/92/66/30/452926630.db2.gz YWXKWAKLQXEUHP-QINSGFPZSA-N -1 0 341.411 3.171 50 10 EGCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cccc(O)c1 ZINC000033352204 453915125 /nfs/dbraw/zinc/91/51/25/453915125.db2.gz KEOHDHMMVYEXNQ-OQLLNIDSSA-N -1 0 340.310 3.034 50 10 EGCARM O=S(=O)(NCc1ccccc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000004539377 210215975 /nfs/dbraw/zinc/21/59/75/210215975.db2.gz KAOCWZPJEXPLQI-UHFFFAOYSA-N -1 0 332.208 3.178 50 10 EGCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccco3)SC2=S)cc1O ZINC000004356917 210178995 /nfs/dbraw/zinc/17/89/95/210178995.db2.gz JDCKUMXKXNPDFG-KPKJPENVSA-N -1 0 347.373 3.089 50 10 EGCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000001220068 280186904 /nfs/dbraw/zinc/18/69/04/280186904.db2.gz DOTHHFGGTSRPGO-SEVUFMINSA-N -1 0 339.413 3.136 50 10 EGCARM Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1C ZINC000002887113 301180731 /nfs/dbraw/zinc/18/07/31/301180731.db2.gz OCQUIEZBSCCOLA-UHFFFAOYSA-N -1 0 349.408 3.125 50 10 EGCARM CCc1cccc2c(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)c[nH]c21 ZINC000001155599 452646523 /nfs/dbraw/zinc/64/65/23/452646523.db2.gz GBEPXLGIPYCENK-WUXMJOGZSA-N -1 0 346.433 3.016 50 10 EGCARM Cc1oc2c(O)c([O-])ccc2c(=O)c1-c1cnn(-c2ccccc2)c1 ZINC000006556404 452954414 /nfs/dbraw/zinc/95/44/14/452954414.db2.gz ZVWHFHQBQHDONN-UHFFFAOYSA-N -1 0 334.331 3.365 50 10 EGCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C\C=C\c2ccco2)SC1=S ZINC000027533566 453818235 /nfs/dbraw/zinc/81/82/35/453818235.db2.gz HNQROABKCCEDEW-HUUBOGDPSA-N -1 0 337.422 3.290 50 10 EGCARM Cc1[nH]c2ccc(C)cc2c1/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000098086483 219081187 /nfs/dbraw/zinc/08/11/87/219081187.db2.gz ZCYRJEULAOTZBK-MLPAPPSSSA-N -1 0 346.433 3.071 50 10 EGCARM Nc1[n-]n2c(nc3c(c2=O)CCC3)c1N=Nc1ccc(Cl)cc1 ZINC000103674925 219320239 /nfs/dbraw/zinc/32/02/39/219320239.db2.gz SKPKBKRKFUXBET-FMQUCBEESA-N -1 0 328.763 3.162 50 10 EGCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000005073354 210385347 /nfs/dbraw/zinc/38/53/47/210385347.db2.gz AXBPSPBYEDYPPZ-WQRHYEAKSA-N -1 0 349.390 3.257 50 10 EGCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccsc2)C1=O ZINC000017029050 135711410 /nfs/dbraw/zinc/71/14/10/135711410.db2.gz ZUVYDHBNOGOQSK-DHZHZOJOSA-N -1 0 328.349 3.263 50 10 EGCARM O=C1[N-]C(=O)C(=Cc2c3ccccc3[nH]c2-c2ccccc2)C(=O)N1 ZINC000009014064 280277232 /nfs/dbraw/zinc/27/72/32/280277232.db2.gz TWOGCANPKPEJAI-UHFFFAOYSA-N -1 0 331.331 3.425 50 10 EGCARM Cc1cccc2nc(CSC(=S)[N-]Cc3cccnc3)cn21 ZINC000000564739 452624435 /nfs/dbraw/zinc/62/44/35/452624435.db2.gz SHLBJLRRZKJCRW-UHFFFAOYSA-N -1 0 328.466 3.346 50 10 EGCARM O=C([O-])CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000000966825 452639521 /nfs/dbraw/zinc/63/95/21/452639521.db2.gz NEACZKMYFFINAR-YFHOEESVSA-N -1 0 327.814 3.016 50 10 EGCARM O=C([O-])CN1C(=O)/C(=C\c2ccc3ccccc3c2)SC1=S ZINC000001214917 452649303 /nfs/dbraw/zinc/64/93/03/452649303.db2.gz HSUGOEFDHKSPDR-MDWZMJQESA-N -1 0 329.402 3.126 50 10 EGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CC=Cc1ccco1 ZINC000009058786 453241679 /nfs/dbraw/zinc/24/16/79/453241679.db2.gz WYKDCNUTBNAHLE-NQDFZQDQSA-N -1 0 326.283 3.482 50 10 EGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3)C2=O)cc1 ZINC000017028945 453625948 /nfs/dbraw/zinc/62/59/48/453625948.db2.gz NSQLJPXCUUCLES-WIXUPIFPSA-N -1 0 348.358 3.122 50 10 EGCARM Nc1[n-]n2c(nc3c(c2=O)CCCC3)c1N=Nc1ccccc1F ZINC000004649613 210237565 /nfs/dbraw/zinc/23/75/65/210237565.db2.gz SWOXXLJCYRHMBU-QZQOTICOSA-N -1 0 326.335 3.038 50 10 EGCARM CN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)SC1=S ZINC000004596655 210229302 /nfs/dbraw/zinc/22/93/02/210229302.db2.gz RQVQFTISUPZPGU-MDWZMJQESA-N -1 0 345.401 3.476 50 10 EGCARM Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)o1 ZINC000000510174 452610902 /nfs/dbraw/zinc/61/09/02/452610902.db2.gz BLPAGSIBNRPHDG-YBEGLDIGSA-N -1 0 338.363 3.378 50 10 EGCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)s3)C2=O)cc1 ZINC000004754999 452816049 /nfs/dbraw/zinc/81/60/49/452816049.db2.gz IJGCSYXRWVYHNZ-GDNBJRDFSA-N -1 0 340.404 3.285 50 10 EGCARM CCN1c2ccccc2SC1=CC=CC=C1C(=O)[N-]C(=O)NC1=O ZINC000032703940 546537082 /nfs/dbraw/zinc/53/70/82/546537082.db2.gz ZOQGKXRACSDRCP-RAHVQBMYSA-N -1 0 341.392 3.149 50 10 EGCARM O=S(=O)([N-]c1ccc(O)c(Br)c1)c1cccs1 ZINC000000073730 258047602 /nfs/dbraw/zinc/04/76/02/258047602.db2.gz QTQBUEYNRHGFAF-UHFFFAOYSA-N -1 0 334.216 3.017 50 10 EGCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\C=C\c2ccco2)SC1=S ZINC000027533572 280186699 /nfs/dbraw/zinc/18/66/99/280186699.db2.gz VXDQDIVHBFUZKI-UGKVZGJGSA-N -1 0 337.422 3.146 50 10 EGCARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cccc2nonc21 ZINC000000215298 452539688 /nfs/dbraw/zinc/53/96/88/452539688.db2.gz AOWLNMZJZUDSOM-UHFFFAOYSA-N -1 0 343.286 3.042 50 10 EGCARM Cc1ccsc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2C)C1=O ZINC000000478895 452603727 /nfs/dbraw/zinc/60/37/27/452603727.db2.gz OJIKYFZKHMWIAV-FMIVXFBMSA-N -1 0 342.445 3.196 50 10 EGCARM CCc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000014010764 453497494 /nfs/dbraw/zinc/49/74/94/453497494.db2.gz AAZHPBOUUBFSGQ-LFIBNONCSA-N -1 0 338.338 3.055 50 10 EGCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3)C2=O)cc1 ZINC000016193603 453598009 /nfs/dbraw/zinc/59/80/09/453598009.db2.gz RPUMZHQMCVJAIJ-CVCOPPNTSA-N -1 0 346.386 3.472 50 10 EGCARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Cl)ccc1O ZINC000016671175 453618863 /nfs/dbraw/zinc/61/88/63/453618863.db2.gz VEVOKWHOABPPCT-QPEQYQDCSA-N -1 0 349.173 3.160 50 10 EGCARM CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000026771508 453805138 /nfs/dbraw/zinc/80/51/38/453805138.db2.gz VLLOARWETXZASK-JLHYYAGUSA-N -1 0 335.450 3.315 50 10 EGCARM CN1C(=O)/C(=C/c2cn(CC(=O)[O-])c3ccccc23)c2ccccc21 ZINC000004517173 210211835 /nfs/dbraw/zinc/21/18/35/210211835.db2.gz IPTQUAQKLODJKJ-MHWRWJLKSA-N -1 0 332.359 3.243 50 10 EGCARM CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc([N+](=O)[O-])ccc1[O-] ZINC000004248213 210151104 /nfs/dbraw/zinc/15/11/04/210151104.db2.gz WUJQCBQAKUHWKM-CYBMUJFWSA-N -1 0 345.380 3.450 50 10 EGCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000001215505 283476399 /nfs/dbraw/zinc/47/63/99/283476399.db2.gz ZYGAWTWZLNYHJZ-VWLVURMCSA-N -1 0 335.450 3.450 50 10 EGCARM O=C1[N-]N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccs1 ZINC000004844521 210297269 /nfs/dbraw/zinc/29/72/69/210297269.db2.gz NXXNDEXVFJMDPY-WQLSENKSSA-N -1 0 338.310 3.228 50 10 EGCARM C=C(c1ccc(Cl)cc1)C1SC(=S)N(CCC(=O)[O-])C1=O ZINC000002996663 258050318 /nfs/dbraw/zinc/05/03/18/258050318.db2.gz CSGAKQZSIYALLZ-WQLSENKSSA-N -1 0 341.841 3.406 50 10 EGCARM CC(C)(C)N1C(=O)[N-]C(=O)/C(=C\c2c(Cl)cccc2Cl)C1=O ZINC000000192702 277149321 /nfs/dbraw/zinc/14/93/21/277149321.db2.gz VNFYPFMHIXJORP-VQHVLOKHSA-N -1 0 341.194 3.254 50 10 EGCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1 ZINC000000194520 304679493 /nfs/dbraw/zinc/67/94/93/304679493.db2.gz PAYSDIVTEWDIFN-XYOKQWHBSA-N -1 0 333.174 3.455 50 10 EGCARM CC(C)(C)c1ccccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000014256384 453526489 /nfs/dbraw/zinc/52/64/89/453526489.db2.gz JRNYPCQYKURTLI-UHFFFAOYSA-N -1 0 331.397 3.321 50 10 EGCARM N=C1NC(=O)/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)S1 ZINC000023128344 202099229 /nfs/dbraw/zinc/09/92/29/202099229.db2.gz ZTQRCHSHUFZLQC-WUXMJOGZSA-N -1 0 348.767 3.437 50 10 EGCARM O=C([O-])c1cc(NC2=NC(=O)C(=Cc3cccs3)S2)ccc1O ZINC000028296976 202169296 /nfs/dbraw/zinc/16/92/96/202169296.db2.gz XZCFJMPAWDDXHS-KPKJPENVSA-N -1 0 346.389 3.234 50 10 EGCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1 ZINC000000966885 304245932 /nfs/dbraw/zinc/24/59/32/304245932.db2.gz JKKCRRFBFGBHPL-MDWZMJQESA-N -1 0 342.401 3.186 50 10 EGCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000005374255 287512869 /nfs/dbraw/zinc/51/28/69/287512869.db2.gz VOSAAUUQCXMJHS-GBQBCEMSSA-N -1 0 333.434 3.307 50 10 EGCARM C=C(c1ccc(Cl)cc1)C1SC(=S)N(CC(=O)[O-])C1=O ZINC000000966709 452638907 /nfs/dbraw/zinc/63/89/07/452638907.db2.gz FROBOWQNHFBYAW-XFFZJAGNSA-N -1 0 327.814 3.016 50 10 EGCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1 ZINC000000966886 452639387 /nfs/dbraw/zinc/63/93/87/452639387.db2.gz JKKCRRFBFGBHPL-JYRVWZFOSA-N -1 0 342.401 3.186 50 10 EGCARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000008997549 453239292 /nfs/dbraw/zinc/23/92/92/453239292.db2.gz ILXHPAOQRLJXKG-UHFFFAOYSA-N -1 0 343.770 3.337 50 10 EGCARM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000016400302 284912212 /nfs/dbraw/zinc/91/22/12/284912212.db2.gz AZEDIJRJAPSNFS-ZROIWOOFSA-N -1 0 333.174 3.455 50 10 EGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cl)s2)C1=O ZINC000004739700 452814583 /nfs/dbraw/zinc/81/45/83/452814583.db2.gz JNVLKLWJXUKIFC-DHZHZOJOSA-N -1 0 346.795 3.376 50 10 EGCARM COc1cccc(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)c1 ZINC000005046760 452834406 /nfs/dbraw/zinc/83/44/06/452834406.db2.gz WMJWPBVTUWGCNO-GZTJUZNOSA-N -1 0 336.347 3.200 50 10 EGCARM Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000013801643 453490519 /nfs/dbraw/zinc/49/05/19/453490519.db2.gz CCMBZGMMXFEAIB-AUWJEWJLSA-N -1 0 326.312 3.023 50 10 EGCARM O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=S)NC2=O)o1 ZINC000015230466 453562078 /nfs/dbraw/zinc/56/20/78/453562078.db2.gz OTBNRWGTJUMXPA-GHXNOFRVSA-N -1 0 331.374 3.134 50 10 EGCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000016488375 453609816 /nfs/dbraw/zinc/60/98/16/453609816.db2.gz YPBYPPFDNRJIMT-JYRVWZFOSA-N -1 0 333.174 3.455 50 10 EGCARM O=c1c2ccc3c(c2[n-]n1-c1ccccc1)C(=O)c1ccccc1C3=O ZINC000100480856 454466176 /nfs/dbraw/zinc/46/61/76/454466176.db2.gz XDJIQPKRIDXXSP-UHFFFAOYSA-N -1 0 340.338 3.094 50 10 EGCARM O=C([O-])CN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000000966942 304066485 /nfs/dbraw/zinc/06/64/85/304066485.db2.gz MCMUUPOKFPCOKG-WTKPLQERSA-N -1 0 348.232 3.279 50 10 EGCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000002399968 205614793 /nfs/dbraw/zinc/61/47/93/205614793.db2.gz RTQIHKNMLBAXSB-CBFJXKFUSA-N -1 0 327.452 3.203 50 10 EGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000000186993 292040107 /nfs/dbraw/zinc/04/01/07/292040107.db2.gz WAYYVROMXWDPPM-MDWZMJQESA-N -1 0 346.795 3.073 50 10 EGCARM Cn1cc(C=C2C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)c2ccccc21 ZINC000006238683 279324345 /nfs/dbraw/zinc/32/43/45/279324345.db2.gz UTAPCOYZBSJGBK-LCYFTJDESA-N -1 0 325.368 3.279 50 10 EGCARM Cc1cc(C)cc(N2C(=O)/C(=C\c3ccsc3)C(=O)[N-]C2=S)c1 ZINC000004724068 301225521 /nfs/dbraw/zinc/22/55/21/301225521.db2.gz BIESBEPQLIQWED-ZSOIEALJSA-N -1 0 342.445 3.196 50 10 EGCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000001216049 452649200 /nfs/dbraw/zinc/64/92/00/452649200.db2.gz MIKAHYVSSIAFAM-WTKPLQERSA-N -1 0 348.232 3.279 50 10 EGCARM Cc1ccsc1C=C1C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000002947983 452735616 /nfs/dbraw/zinc/73/56/16/452735616.db2.gz DVZGFFPZZPTMDC-NTEUORMPSA-N -1 0 340.404 3.340 50 10 EGCARM COc1cccc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)c1 ZINC000004614379 452811442 /nfs/dbraw/zinc/81/14/42/452811442.db2.gz BLHNITWEQXPLSE-YVLHZVERSA-N -1 0 336.347 3.200 50 10 EGCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccs1 ZINC000013549142 453470309 /nfs/dbraw/zinc/47/03/09/453470309.db2.gz ZRBPFRLPQKSRGL-KAMYIIQDSA-N -1 0 330.409 3.100 50 10 EGCARM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000014255593 453525925 /nfs/dbraw/zinc/52/59/25/453525925.db2.gz ZGIPPACKSWTMOS-UHFFFAOYSA-N -1 0 331.397 3.148 50 10 EGCARM Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O ZINC000016735722 453620436 /nfs/dbraw/zinc/62/04/36/453620436.db2.gz RNYZKMZCWJTBMF-JYRVWZFOSA-N -1 0 346.433 3.152 50 10 EGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc(C)ccc3C)C2=O)c1 ZINC000095471554 454219056 /nfs/dbraw/zinc/21/90/56/454219056.db2.gz OXVUGIMZSFYUGL-LFIBNONCSA-N -1 0 349.390 3.191 50 10 EGCARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000008973119 280277254 /nfs/dbraw/zinc/27/72/54/280277254.db2.gz TXOBURLCYAVOGC-BENRWUELSA-N -1 0 338.367 3.198 50 10 EGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)c1 ZINC000002936969 301225408 /nfs/dbraw/zinc/22/54/08/301225408.db2.gz NHDURYKVIZMGAZ-MHWRWJLKSA-N -1 0 338.338 3.109 50 10 EGCARM Cc1ccccc1/C=C1/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000001188744 302076095 /nfs/dbraw/zinc/07/60/95/302076095.db2.gz AAUGGRRBBRLVDR-YQCJOKCJSA-N -1 0 335.450 3.305 50 10 EGCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/C=C/c1ccco1 ZINC000000459292 452598287 /nfs/dbraw/zinc/59/82/87/452598287.db2.gz OMIVNLCQFHKAKV-PPRDQHCASA-N -1 0 342.738 3.156 50 10 EGCARM Cc1nc(N)sc1-c1csc(Nc2ccc(C(=O)[O-])c(O)c2)n1 ZINC000002861163 452730719 /nfs/dbraw/zinc/73/07/19/452730719.db2.gz NPCAOLGLTUVKGG-UHFFFAOYSA-N -1 0 348.409 3.305 50 10 EGCARM CC1=NN(c2ccccc2)C(=O)C1=CNc1cc(C(=O)[O-])ccc1C ZINC000004982625 452830574 /nfs/dbraw/zinc/83/05/74/452830574.db2.gz LJASVJZFNSJOAN-WJDWOHSUSA-N -1 0 335.363 3.412 50 10 EGCARM Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)s1 ZINC000000341304 452565901 /nfs/dbraw/zinc/56/59/01/452565901.db2.gz DLFPKTZDAZRWMY-JYRVWZFOSA-N -1 0 346.795 3.376 50 10 EGCARM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccccc1 ZINC000002985048 452737858 /nfs/dbraw/zinc/73/78/58/452737858.db2.gz RVGJFMMFZLFJSP-NTEUORMPSA-N -1 0 337.291 3.102 50 10 EGCARM CCc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000014011066 453498033 /nfs/dbraw/zinc/49/80/33/453498033.db2.gz UAMZRFCTEQGAMV-SFQUDFHCSA-N -1 0 334.375 3.224 50 10 EGCARM COc1ccc(OC)c(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)c1 ZINC000100870233 454467963 /nfs/dbraw/zinc/46/79/63/454467963.db2.gz VHAKJAKNQVQSIZ-FOWTUZBSSA-N -1 0 337.379 3.422 50 10 EGCARM O=C([O-])C[C@@H]1NC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O ZINC000071767396 203112367 /nfs/dbraw/zinc/11/23/67/203112367.db2.gz WPRBBVICZAGPBR-YISVQYQQSA-N -1 0 338.323 3.002 50 10 EGCARM CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1 ZINC000012382913 280590045 /nfs/dbraw/zinc/59/00/45/280590045.db2.gz VMWUFJNJWBGKCB-LCYFTJDESA-N -1 0 335.450 3.486 50 10 EGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3)C2=O)cc1 ZINC000000179629 452529163 /nfs/dbraw/zinc/52/91/63/452529163.db2.gz AQISBYLINCAQFN-BDKUJZOCSA-N -1 0 332.359 3.218 50 10 EGCARM NC(=O)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2cccs2)cc1 ZINC000000528890 452614122 /nfs/dbraw/zinc/61/41/22/452614122.db2.gz GUWOVBQRBQVJIA-UHFFFAOYSA-N -1 0 340.404 3.322 50 10 EGCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000002407252 452696036 /nfs/dbraw/zinc/69/60/36/452696036.db2.gz HVDIVKIUSAWTNZ-LCFDYFRESA-N -1 0 339.413 3.280 50 10 EGCARM O=C([O-])CCN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S ZINC000003570673 452782428 /nfs/dbraw/zinc/78/24/28/452782428.db2.gz WBWMFHLPCJCVFY-POHAHGRESA-N -1 0 345.804 3.155 50 10 EGCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000005374253 452865417 /nfs/dbraw/zinc/86/54/17/452865417.db2.gz VOSAAUUQCXMJHS-JZKFEFJASA-N -1 0 333.434 3.307 50 10 EGCARM CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccs2)SC1=S ZINC000005551851 452883056 /nfs/dbraw/zinc/88/30/56/452883056.db2.gz YIWHPMRCTGCDDD-UEUZTHOGSA-N -1 0 341.479 3.449 50 10 EGCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000012428939 453361292 /nfs/dbraw/zinc/36/12/92/453361292.db2.gz QUQSYBLTTCLMLB-GHXNOFRVSA-N -1 0 349.173 3.160 50 10 EGCARM COc1ccccc1/C=C1\C(=O)N(c2ccc(C(=O)[O-])cc2)N=C1C ZINC000012412906 453361481 /nfs/dbraw/zinc/36/14/81/453361481.db2.gz YFEYPRDESAKMKG-WJDWOHSUSA-N -1 0 336.347 3.200 50 10 EGCARM Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)o1 ZINC000013350086 201892393 /nfs/dbraw/zinc/89/23/93/201892393.db2.gz WPFZXSTYLAONIU-XFXZXTDPSA-N -1 0 339.438 3.434 50 10 EGCARM Cn1cccc1/C=C1/SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O ZINC000002333405 205620405 /nfs/dbraw/zinc/62/04/05/205620405.db2.gz SIPBRPUXOIRLKJ-UKTHLTGXSA-N -1 0 344.417 3.129 50 10 EGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)o1 ZINC000000432732 292040181 /nfs/dbraw/zinc/04/01/81/292040181.db2.gz SRMIPMNDSRGKDD-MDWZMJQESA-N -1 0 346.795 3.073 50 10 EGCARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000004783805 280279220 /nfs/dbraw/zinc/27/92/20/280279220.db2.gz XVMLYJSNFUNHIV-GXDHUFHOSA-N -1 0 332.787 3.135 50 10 EGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000000445889 452593171 /nfs/dbraw/zinc/59/31/71/452593171.db2.gz STLGKBCCSVCHLP-LFIBNONCSA-N -1 0 336.416 3.135 50 10 EGCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000000966945 452639357 /nfs/dbraw/zinc/63/93/57/452639357.db2.gz UASDPBXQGSOVAT-LOBLAWFCSA-N -1 0 327.814 3.014 50 10 EGCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000000966944 452639377 /nfs/dbraw/zinc/63/93/77/452639377.db2.gz UVPVSGRBWTYETN-FLIBITNWSA-N -1 0 341.841 3.406 50 10 EGCARM Cc1ccc(C(=O)[O-])cc1-c1ccc(C=C2SC(=O)NC2=O)o1 ZINC000004350102 452799711 /nfs/dbraw/zinc/79/97/11/452799711.db2.gz CAVSNCNEUYETHB-NTUHNPAUSA-N -1 0 329.333 3.277 50 10 EGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C)c(C)c3)C2=O)c1 ZINC000005589444 452886690 /nfs/dbraw/zinc/88/66/90/452886690.db2.gz BXYLZUKVOQBTOF-BOPFTXTBSA-N -1 0 349.390 3.191 50 10 EGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000013774032 453488965 /nfs/dbraw/zinc/48/89/65/453488965.db2.gz ANIHMRJCMITPSC-UVTDQMKNSA-N -1 0 326.739 3.006 50 10 EGCARM Cc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)o1 ZINC000015769839 1291160327 /nfs/dbraw/zinc/16/03/27/1291160327.db2.gz GCXGSDMJMMLCFL-FLIBITNWSA-N -1 0 346.795 3.073 50 10 EGCARM Cc1ccccc1[N-]S(=O)(=O)c1c2nsnc2ccc1Cl ZINC000032579224 202227256 /nfs/dbraw/zinc/22/72/56/202227256.db2.gz FFUPMQNITMKMMZ-UHFFFAOYSA-N -1 0 339.829 3.454 50 10 EGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3C)C2=O)c1 ZINC000002935667 301225126 /nfs/dbraw/zinc/22/51/26/301225126.db2.gz GFGCMCLDJDIDRK-GZTJUZNOSA-N -1 0 334.375 3.278 50 10 EGCARM O=C([O-])CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000000966943 452639069 /nfs/dbraw/zinc/63/90/69/452639069.db2.gz UVPVSGRBWTYETN-DHZHZOJOSA-N -1 0 341.841 3.406 50 10 EGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc([N+](=O)[O-])s1 ZINC000001305619 452653524 /nfs/dbraw/zinc/65/35/24/452653524.db2.gz YUSHBRYZJAWKNT-DHZHZOJOSA-N -1 0 343.320 3.163 50 10 EGCARM CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)[O-])cc1 ZINC000013617946 453474664 /nfs/dbraw/zinc/47/46/64/453474664.db2.gz XSMZLKKQIKFYDT-LFIBNONCSA-N -1 0 344.798 3.262 50 10 EGCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/C=C/c2ccco2)SC1=S ZINC000004356973 210179211 /nfs/dbraw/zinc/17/92/11/210179211.db2.gz HNQROABKCCEDEW-PRTRNZEUSA-N -1 0 337.422 3.290 50 10 EGCARM COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1C(=O)[O-] ZINC000004903365 210318272 /nfs/dbraw/zinc/31/82/72/210318272.db2.gz PKLSIHRMJDBETJ-GDNBJRDFSA-N -1 0 336.347 3.200 50 10 EGCARM CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@@H](C)C(=O)[O-])C1=O ZINC000006454519 277928810 /nfs/dbraw/zinc/92/88/10/277928810.db2.gz VPOZDTXBXSBCDW-MSUIWEBISA-N -1 0 333.434 3.307 50 10 EGCARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000008741273 278620042 /nfs/dbraw/zinc/62/00/42/278620042.db2.gz CULNREIDZZPCFG-UHFFFAOYSA-N -1 0 337.379 3.301 50 10 EGCARM COc1ccccc1N1C(=O)C(=Cc2ccc(C)o2)C(=O)[N-]C1=S ZINC000001261211 452651817 /nfs/dbraw/zinc/65/18/17/452651817.db2.gz SKUYXXUCHQCAJL-FMIVXFBMSA-N -1 0 342.376 3.268 50 10 EGCARM Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)s1 ZINC000000440954 1291020554 /nfs/dbraw/zinc/02/05/54/1291020554.db2.gz SQHZJUSJAQEXHH-NTEUORMPSA-N -1 0 326.377 3.031 50 10 EGCARM COc1ccc(N2C(=O)C(=Cc3ccc(C)o3)C(=O)[N-]C2=S)cc1 ZINC000000267905 452550120 /nfs/dbraw/zinc/55/01/20/452550120.db2.gz QRZBWSAGQZLCSJ-NTEUORMPSA-N -1 0 342.376 3.268 50 10 EGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Cl)c3)C2=O)cc1 ZINC000000446663 452595633 /nfs/dbraw/zinc/59/56/33/452595633.db2.gz OXIMXCKKMVYLHP-XNTDXEJSSA-N -1 0 340.766 3.315 50 10 EGCARM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1cccc2nonc21 ZINC000014254986 453525715 /nfs/dbraw/zinc/52/57/15/453525715.db2.gz HVMJARKHTABNTO-UHFFFAOYSA-N -1 0 344.179 3.330 50 10 EGCARM O=C([O-])c1cc(O)ccc1NC(=O)c1cccc(Br)c1 ZINC000004278530 210159305 /nfs/dbraw/zinc/15/93/05/210159305.db2.gz RTWXTCVRZFFJIJ-UHFFFAOYSA-N -1 0 336.141 3.105 50 10 EGCARM CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc([N+](=O)[O-])ccc1[O-] ZINC000004248210 210150630 /nfs/dbraw/zinc/15/06/30/210150630.db2.gz QSJJHHWOQNOFAN-ZDUSSCGKSA-N -1 0 331.353 3.060 50 10 EGCARM O=C([O-])c1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1O ZINC000000073687 258047609 /nfs/dbraw/zinc/04/76/09/258047609.db2.gz MYNBJQNUBOQTKB-UHFFFAOYSA-N -1 0 343.360 3.044 50 10 EGCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000001282610 287512814 /nfs/dbraw/zinc/51/28/14/287512814.db2.gz AWYAJFOUCXQWFN-BFTHVDOESA-N -1 0 346.433 3.232 50 10 EGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)s1 ZINC000000573861 452628647 /nfs/dbraw/zinc/62/86/47/452628647.db2.gz BJFNZMBXSYHJED-MDWZMJQESA-N -1 0 346.408 3.027 50 10 EGCARM O=C([O-])CCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S ZINC000000975593 452639914 /nfs/dbraw/zinc/63/99/14/452639914.db2.gz NCILNNGPOXLNPV-MDWZMJQESA-N -1 0 346.433 3.234 50 10 EGCARM O=C([O-])CN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S ZINC000001013867 452641683 /nfs/dbraw/zinc/64/16/83/452641683.db2.gz YYRLVKBVJKUTJD-XBXARRHUSA-N -1 0 348.232 3.279 50 10 EGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2nc3ccccc3[nH]2)C1=O ZINC000006813450 452994176 /nfs/dbraw/zinc/99/41/76/452994176.db2.gz DQUSSVYMEIBKGH-BENRWUELSA-N -1 0 346.346 3.378 50 10 EGCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1C ZINC000033903035 453918460 /nfs/dbraw/zinc/91/84/60/453918460.db2.gz APXUXOZGUMXQJE-MHWRWJLKSA-N -1 0 337.379 3.144 50 10 EGCARM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)c1 ZINC000003877759 210082276 /nfs/dbraw/zinc/08/22/76/210082276.db2.gz IGEDVNBXZOPMBY-UHFFFAOYSA-N -1 0 344.348 3.254 50 10 EGCARM CC(C)(C)c1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(C(C)(C)C)c1 ZINC000011027287 211201276 /nfs/dbraw/zinc/20/12/76/211201276.db2.gz TWHNQIWOJFIUGW-UHFFFAOYSA-N -1 0 328.412 3.031 50 10 EGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)cc1 ZINC000009013009 295155772 /nfs/dbraw/zinc/15/57/72/295155772.db2.gz FTDNOXRJLNAGAJ-XNTDXEJSSA-N -1 0 340.310 3.341 50 10 EGCARM O=S(=O)([N-]c1ccc(Cl)cc1)c1cccc2nsnc21 ZINC000000212938 452536762 /nfs/dbraw/zinc/53/67/62/452536762.db2.gz YDWQJRYMPAQSKZ-UHFFFAOYSA-N -1 0 325.802 3.146 50 10 EGCARM CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O ZINC000002065643 452685751 /nfs/dbraw/zinc/68/57/51/452685751.db2.gz YBPDCXMQUKPTKA-UKTHLTGXSA-N -1 0 344.754 3.082 50 10 EGCARM CCc1ccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1 ZINC000032109786 453864861 /nfs/dbraw/zinc/86/48/61/453864861.db2.gz GGQLVMLCOWGFLH-YBEGLDIGSA-N -1 0 326.783 3.364 50 10 EGCARM COc1ccc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1 ZINC000004614360 210231539 /nfs/dbraw/zinc/23/15/39/210231539.db2.gz NEVLJKZXGXOVOD-YVLHZVERSA-N -1 0 336.347 3.200 50 10 EGCARM CC1=C[C@@H](OC(C)(C)C)[C@@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@@H]2C1 ZINC000102529992 219208747 /nfs/dbraw/zinc/20/87/47/219208747.db2.gz KQBFSZVDTUWIAF-LERXQTSPSA-N -1 0 330.380 3.243 50 10 EGCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000008768814 211001823 /nfs/dbraw/zinc/00/18/23/211001823.db2.gz QOGBMQGYYSHBGT-ZSOIEALJSA-N -1 0 335.319 3.263 50 10 EGCARM Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000001186812 301035379 /nfs/dbraw/zinc/03/53/79/301035379.db2.gz XDRGDNNFODLFNL-ZSOIEALJSA-N -1 0 342.376 3.116 50 10 EGCARM Cc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000014011161 453498526 /nfs/dbraw/zinc/49/85/26/453498526.db2.gz NQWWBHRECMXPPV-GZTJUZNOSA-N -1 0 334.375 3.278 50 10 EGCARM CC12CN3CC(C)(CN(C1)C3c1ccc(Br)cc1[O-])C2 ZINC000019287537 453655493 /nfs/dbraw/zinc/65/54/93/453655493.db2.gz AOUVLNIWIBVXMK-UHFFFAOYSA-N -1 0 337.261 3.201 50 10 EGCARM COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@@H](C)C(=O)[O-])ccc21 ZINC000000088646 209412708 /nfs/dbraw/zinc/41/27/08/209412708.db2.gz IQIYKIMABPAWBH-JTQLQIEISA-N -1 0 328.320 3.115 50 10 biogenic EGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cccc(F)c3)C2=O)c1 ZINC000004704493 301225305 /nfs/dbraw/zinc/22/53/05/301225305.db2.gz BBUPIIXWPANYHS-YBEGLDIGSA-N -1 0 338.338 3.109 50 10 EGCARM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc2nsnc21 ZINC000000223856 452542003 /nfs/dbraw/zinc/54/20/03/452542003.db2.gz HXBPQVQXFYMJNV-UHFFFAOYSA-N -1 0 325.802 3.146 50 10 EGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(F)c3)C2=O)cc1C ZINC000000450921 452595501 /nfs/dbraw/zinc/59/55/01/452595501.db2.gz HNUTXSQSBKVSKP-MHWRWJLKSA-N -1 0 338.338 3.109 50 10 EGCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000000966976 452639967 /nfs/dbraw/zinc/63/99/67/452639967.db2.gz ZEHMKIXTESILQT-LOBLAWFCSA-N -1 0 327.814 3.014 50 10 EGCARM CCOC(=O)c1sc2c(nc3ccc(Br)cn32)c1[O-] ZINC000045028116 454134098 /nfs/dbraw/zinc/13/40/98/454134098.db2.gz BZMNOCAJNKSJRL-UHFFFAOYSA-N -1 0 341.186 3.194 50 10 EGCARM O=C([O-])C[C@H]1NC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O ZINC000071767397 454216550 /nfs/dbraw/zinc/21/65/50/454216550.db2.gz WPRBBVICZAGPBR-ATQAJOFPSA-N -1 0 338.323 3.002 50 10 EGCARM COc1ccc(-c2ccc(CCC(=O)[O-])n2C[C@@H]2CCCO2)cc1 ZINC000004516930 210211402 /nfs/dbraw/zinc/21/14/02/210211402.db2.gz WUTHILHWWWFWPW-KRWDZBQOSA-N -1 0 329.396 3.360 50 10 EGCARM NC(=O)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)cc1 ZINC000001066133 209707670 /nfs/dbraw/zinc/70/76/70/209707670.db2.gz MLLHYVFVOGSFIB-UHFFFAOYSA-N -1 0 334.375 3.260 50 10 EGCARM [O-]c1c2oc3c(nc4n[nH]cc4c3-c3ccc(O)c(O)c3)c2ccc1O ZINC000217894762 241281345 /nfs/dbraw/zinc/28/13/45/241281345.db2.gz WQIFRTBBSWPVEZ-UHFFFAOYSA-N -1 0 349.302 3.347 50 10 biogenic EGCARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccs2)SC1=S ZINC000005551848 210486490 /nfs/dbraw/zinc/48/64/90/210486490.db2.gz YIWHPMRCTGCDDD-VUBLIPMDSA-N -1 0 341.479 3.449 50 10 EGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000017180655 295052409 /nfs/dbraw/zinc/05/24/09/295052409.db2.gz SHNFVEGLJQYKKS-XNTDXEJSSA-N -1 0 340.310 3.341 50 10 EGCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/C=C/c1ccco1 ZINC000000503720 452608884 /nfs/dbraw/zinc/60/88/84/452608884.db2.gz BMCNYFPWHQGLFV-BOAPOFAJSA-N -1 0 342.738 3.156 50 10 EGCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccco2)SC1=S ZINC000001870848 452681009 /nfs/dbraw/zinc/68/10/09/452681009.db2.gz IKSSQUDPQCNNNX-LUAWRHEFSA-N -1 0 325.411 3.126 50 10 EGCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CC=Cc1ccco1 ZINC000017043142 453626040 /nfs/dbraw/zinc/62/60/40/453626040.db2.gz FQXKONSZZGCYKY-FMVMLBDOSA-N -1 0 326.283 3.482 50 10 EGCARM Cc1ccsc1/C=C1\C(=O)[N-]C(=O)N(CCC2=CCCCC2)C1=O ZINC000015769811 1291159585 /nfs/dbraw/zinc/15/95/85/1291159585.db2.gz GNRDHRCZBXXMIE-SDNWHVSQSA-N -1 0 344.436 3.409 50 10 EGCARM CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cccc(C(=O)[O-])c1 ZINC000100040997 219088867 /nfs/dbraw/zinc/08/88/67/219088867.db2.gz COIGNWCPPHUXBG-GZTJUZNOSA-N -1 0 335.363 3.412 50 10 EGCARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)c1 ZINC000004834540 210292030 /nfs/dbraw/zinc/29/20/30/210292030.db2.gz TWIPVBVDCIVKBB-NTUHNPAUSA-N -1 0 342.401 3.186 50 10 EGCARM CC(=O)N[C@@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000000087173 278140669 /nfs/dbraw/zinc/14/06/69/278140669.db2.gz IKICXBRNLCTRJL-INIZCTEOSA-N -1 0 337.335 3.074 50 10 EGCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000005214131 298215717 /nfs/dbraw/zinc/21/57/17/298215717.db2.gz ZEHMKIXTESILQT-VSUWBIFXSA-N -1 0 327.814 3.014 50 10 EGCARM Cc1ccsc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000004739689 302299073 /nfs/dbraw/zinc/29/90/73/302299073.db2.gz PPFOBCIFOITYDE-FMIVXFBMSA-N -1 0 326.377 3.031 50 10 EGCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S ZINC000001216048 452649185 /nfs/dbraw/zinc/64/91/85/452649185.db2.gz MIKAHYVSSIAFAM-RUDMXATFSA-N -1 0 348.232 3.279 50 10 EGCARM O=C1[N-]N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000016157491 453596959 /nfs/dbraw/zinc/59/69/59/453596959.db2.gz RBQIGDGWFTXMDT-GHXNOFRVSA-N -1 0 334.709 3.080 50 10 EGCARM Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1ccccc1[N+](=O)[O-] ZINC000018149181 453644849 /nfs/dbraw/zinc/64/48/49/453644849.db2.gz FMUNRBGNDIUVJJ-OAHLLOKOSA-N -1 0 327.365 3.478 50 10 EGCARM Cc1ccsc1/C=C1/C(=O)[N-]C(=O)N(CCC2=CCCCC2)C1=O ZINC000000450297 1291019859 /nfs/dbraw/zinc/01/98/59/1291019859.db2.gz GNRDHRCZBXXMIE-KAMYIIQDSA-N -1 0 344.436 3.409 50 10 EGCARM CSc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1 ZINC000004673223 210243262 /nfs/dbraw/zinc/24/32/62/210243262.db2.gz LZGAVGQNIRPFCH-FLIBITNWSA-N -1 0 339.463 3.084 50 10 EGCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc(C(F)(F)F)c1 ZINC000004501957 210206718 /nfs/dbraw/zinc/20/67/18/210206718.db2.gz ZMYVSOZETXJCRI-UVTDQMKNSA-N -1 0 332.281 3.167 50 10 EGCARM CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccco2)SC1=S ZINC000004745664 282889172 /nfs/dbraw/zinc/88/91/72/282889172.db2.gz OBXUPGFMBXWKFX-NGPGYTDTSA-N -1 0 325.411 3.124 50 10 EGCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000005059222 284865885 /nfs/dbraw/zinc/86/58/85/284865885.db2.gz JDIDXMIQPZADHS-GXDHUFHOSA-N -1 0 342.807 3.171 50 10 EGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)o1 ZINC000000450336 292040221 /nfs/dbraw/zinc/04/02/21/292040221.db2.gz GCXGSDMJMMLCFL-DHZHZOJOSA-N -1 0 346.795 3.073 50 10 EGCARM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccsc3)C(=O)[N-]C2=S)c1 ZINC000000312480 452562484 /nfs/dbraw/zinc/56/24/84/452562484.db2.gz BIESBEPQLIQWED-RIYZIHGNSA-N -1 0 342.445 3.196 50 10 EGCARM O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)/C1=C/c1ccco1 ZINC000000341559 452566912 /nfs/dbraw/zinc/56/69/12/452566912.db2.gz OYEWLNGOGRNHKM-RVDMUPIBSA-N -1 0 332.315 3.099 50 10 EGCARM CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000000967129 452638727 /nfs/dbraw/zinc/63/87/27/452638727.db2.gz VLLOARWETXZASK-RAXLEYEMSA-N -1 0 335.450 3.315 50 10 EGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CC=CNc2ccccc2)C1=O ZINC000004817410 452818945 /nfs/dbraw/zinc/81/89/45/452818945.db2.gz CLXRCDAPFXURLT-LZHOECQMSA-N -1 0 347.374 3.130 50 10 EGCARM Cc1ccsc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000014010724 453498059 /nfs/dbraw/zinc/49/80/59/453498059.db2.gz DLWCWXLWJBKQEF-XYOKQWHBSA-N -1 0 346.795 3.376 50 10 EGCARM CCOc1ccc(Cl)cc1C(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000004649253 210236478 /nfs/dbraw/zinc/23/64/78/210236478.db2.gz JGFZBNRBIWRLLF-UHFFFAOYSA-N -1 0 335.743 3.395 50 10 EGCARM CCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](C(=O)[O-])[C@@H](C)CC ZINC000004041701 210106640 /nfs/dbraw/zinc/10/66/40/210106640.db2.gz QUNCZWVRGYTLBS-APPDUMDISA-N -1 0 347.411 3.040 50 10 biogenic EGCARM O=C([O-])c1cc(NN=Nc2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000003897416 210087361 /nfs/dbraw/zinc/08/73/61/210087361.db2.gz OXLHMIURMJJYGM-UHFFFAOYSA-N -1 0 331.244 3.312 50 10 EGCARM COc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)cc1 ZINC000000444719 209604394 /nfs/dbraw/zinc/60/43/94/209604394.db2.gz LXMDKDZKQNEHOO-BOPFTXTBSA-N -1 0 336.347 3.200 50 10 EGCARM CCCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](CCC)C(=O)[O-] ZINC000011866888 211260821 /nfs/dbraw/zinc/26/08/21/211260821.db2.gz BIZSJKMJQGGFJH-OAHLLOKOSA-N -1 0 347.411 3.184 50 10 EGCARM CC(=C\c1ccccc1)/C=C1\SC(=S)N([C@@H](C)C(=O)[O-])C1=O ZINC000001210338 277928696 /nfs/dbraw/zinc/92/86/96/277928696.db2.gz VPOZDTXBXSBCDW-OBYQLPIYSA-N -1 0 333.434 3.307 50 10 EGCARM CCC(=O)N[C@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000000087326 452504250 /nfs/dbraw/zinc/50/42/50/452504250.db2.gz NVKXHMNIODKIRH-HNNXBMFYSA-N -1 0 341.323 3.057 50 10 EGCARM CSc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000000122095 452514054 /nfs/dbraw/zinc/51/40/54/452514054.db2.gz MGPRSQWAHVFSEH-PTNGSMBKSA-N -1 0 338.388 3.075 50 10 EGCARM Cc1[nH]c2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000000440876 452592203 /nfs/dbraw/zinc/59/22/03/452592203.db2.gz PZWTUGLZICMLCN-WJDWOHSUSA-N -1 0 345.358 3.143 50 10 EGCARM O=C1NC(=S)S/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 ZINC000001084647 452645024 /nfs/dbraw/zinc/64/50/24/452645024.db2.gz SWAKUVSWZTUPBN-AWNIVKPZSA-N -1 0 343.385 3.106 50 10 EGCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccs2)SC1=S ZINC000005547573 452881886 /nfs/dbraw/zinc/88/18/86/452881886.db2.gz RTQIHKNMLBAXSB-YIXGCBLDSA-N -1 0 327.452 3.203 50 10 EGCARM CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(C)o2)SC1=S ZINC000004745677 210267574 /nfs/dbraw/zinc/26/75/74/210267574.db2.gz AYBJANZMICZZHE-SERMCNLOSA-N -1 0 339.438 3.433 50 10 EGCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 ZINC000009136872 211044273 /nfs/dbraw/zinc/04/42/73/211044273.db2.gz MLPFYGXSXOJKHY-LGMDPLHJSA-N -1 0 330.343 3.408 50 10 EGCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000001220066 279799520 /nfs/dbraw/zinc/79/95/20/279799520.db2.gz DOTHHFGGTSRPGO-RDQDRAATSA-N -1 0 339.413 3.136 50 10 EGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1 ZINC000002930619 304656883 /nfs/dbraw/zinc/65/68/83/304656883.db2.gz NYQCRFFOZATJJX-GXDHUFHOSA-N -1 0 326.739 3.006 50 10 EGCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 ZINC000001465865 452665566 /nfs/dbraw/zinc/66/55/66/452665566.db2.gz OBQPPMYJVOKFAX-LCYFTJDESA-N -1 0 342.401 3.186 50 10 EGCARM CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCC(=O)[O-])C1=O ZINC000012342798 453356228 /nfs/dbraw/zinc/35/62/28/453356228.db2.gz CVENVXMOOBHCIX-QXGKOBNPSA-N -1 0 333.434 3.309 50 10 EGCARM O=c1c2ccc([O-])c(CN3CCCOC3)c2occ1-c1ccccc1 ZINC000032501393 212805946 /nfs/dbraw/zinc/80/59/46/212805946.db2.gz LBJNOJQAAVSQMJ-UHFFFAOYSA-N -1 0 337.375 3.345 50 10 EGCARM Cc1ccccc1/C=C1\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000001188746 302076288 /nfs/dbraw/zinc/07/62/88/302076288.db2.gz AAUGGRRBBRLVDR-LLBKUYECSA-N -1 0 335.450 3.305 50 10 EGCARM CCOc1ccccc1/C=C1\C(=O)[N-]N(c2ccc(Cl)cc2)C1=O ZINC000000315244 452562373 /nfs/dbraw/zinc/56/23/73/452562373.db2.gz ZUICYHSFKVTBBI-RVDMUPIBSA-N -1 0 342.782 3.200 50 10 EGCARM Cc1ccsc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O ZINC000004602966 452810356 /nfs/dbraw/zinc/81/03/56/452810356.db2.gz BYDVMGPNGDVLLR-XYOKQWHBSA-N -1 0 346.408 3.027 50 10 EGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccccc1[N+](=O)[O-] ZINC000008739326 453231489 /nfs/dbraw/zinc/23/14/89/453231489.db2.gz YECHRKVDYMBEAV-RAXLEYEMSA-N -1 0 337.291 3.102 50 10 EGCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\C=C\c2ccco2)SC1=S ZINC000027533564 453818184 /nfs/dbraw/zinc/81/81/84/453818184.db2.gz HNQROABKCCEDEW-SLJMDOFUSA-N -1 0 337.422 3.290 50 10 EGCARM Oc1c(CN=c2nc(C3CCCC3)[n-]s2)ccc2cccnc21 ZINC000585139162 459828715 /nfs/dbraw/zinc/82/87/15/459828715.db2.gz ABYKSYXHSGBULB-UHFFFAOYSA-N -1 0 326.425 3.484 50 10 EGCARM CCc1nnc(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)s1 ZINC000100161632 219093349 /nfs/dbraw/zinc/09/33/49/219093349.db2.gz DJLALVCZBOBJFA-ZROIWOOFSA-N -1 0 341.440 3.436 50 10 EGCARM CCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](CC(C)C)C(=O)[O-] ZINC000004039854 210106286 /nfs/dbraw/zinc/10/62/86/210106286.db2.gz IQZDVXSHBFSQBL-HNNXBMFYSA-N -1 0 347.411 3.040 50 10 biogenic EGCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000005214130 295802020 /nfs/dbraw/zinc/80/20/20/295802020.db2.gz ZEHMKIXTESILQT-FSEMZKDTSA-N -1 0 327.814 3.014 50 10 EGCARM O=c1[n-]n2c([nH]c3c(c2=O)CCCC3)c1N=Nc1cccc(Cl)c1 ZINC000103674869 219320289 /nfs/dbraw/zinc/32/02/89/219320289.db2.gz PUAFLNVMPYKYQF-FMQUCBEESA-N -1 0 343.774 3.264 50 10 EGCARM Cc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)o1 ZINC000001916923 209804943 /nfs/dbraw/zinc/80/49/43/209804943.db2.gz WPFZXSTYLAONIU-FMIVXFBMSA-N -1 0 339.438 3.434 50 10 EGCARM O=C([O-])CN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2)SC1=S ZINC000012017191 211280379 /nfs/dbraw/zinc/28/03/79/211280379.db2.gz AHFDRXAXMGHASC-OQFOIZHKSA-N -1 0 348.232 3.279 50 10 EGCARM Cc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)s1 ZINC000022215539 292040161 /nfs/dbraw/zinc/04/01/61/292040161.db2.gz ZRHCTPGBIWNRSG-FLIBITNWSA-N -1 0 346.408 3.027 50 10 EGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/C=C/c1ccco1 ZINC000000188904 452530436 /nfs/dbraw/zinc/53/04/36/452530436.db2.gz SRULBCQLTDESEP-GSPDUGTFSA-N -1 0 342.738 3.156 50 10 EGCARM Cc1ccsc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2F)C1=O ZINC000004743347 452817156 /nfs/dbraw/zinc/81/71/56/452817156.db2.gz CPAZBAPFTSFXLJ-NTMALXAHSA-N -1 0 346.408 3.027 50 10 EGCARM N=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)S1 ZINC000016385920 453605222 /nfs/dbraw/zinc/60/52/22/453605222.db2.gz SSSQHOCONOGRSG-WUXMJOGZSA-N -1 0 348.767 3.437 50 10 EGCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(O)cc1 ZINC000017028546 453626666 /nfs/dbraw/zinc/62/66/66/453626666.db2.gz QSEQMXXBAUHIOR-DHDCSXOGSA-N -1 0 340.310 3.034 50 10 EGCARM Cn1cccc1C=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000033352173 453915093 /nfs/dbraw/zinc/91/50/93/453915093.db2.gz KKGKNGNNPFAZEY-UKTHLTGXSA-N -1 0 329.743 3.185 50 10 EGCARM CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(C)o2)SC1=S ZINC000004745680 210266767 /nfs/dbraw/zinc/26/67/67/210266767.db2.gz AYBJANZMICZZHE-OYGDSYQHSA-N -1 0 339.438 3.433 50 10 EGCARM Cc1cc(=O)n2[n-]c(N)c(N=Nc3cccc(C(F)(F)F)c3)c2n1 ZINC000004649651 210237303 /nfs/dbraw/zinc/23/73/03/210237303.db2.gz JHLCPMSUCOJGDA-QZQOTICOSA-N -1 0 336.277 3.347 50 10 EGCARM CCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](C(=O)[O-])[C@H](C)CC ZINC000004041705 210106620 /nfs/dbraw/zinc/10/66/20/210106620.db2.gz QUNCZWVRGYTLBS-DIFFPNOSSA-N -1 0 347.411 3.040 50 10 biogenic EGCARM CCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](C(=O)[O-])[C@@H](C)CC ZINC000004041698 210106157 /nfs/dbraw/zinc/10/61/57/210106157.db2.gz QUNCZWVRGYTLBS-GTNSWQLSSA-N -1 0 347.411 3.040 50 10 biogenic EGCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccsc1 ZINC000000045630 284865881 /nfs/dbraw/zinc/86/58/81/284865881.db2.gz RVLUQWKSJUGSRV-KPKJPENVSA-N -1 0 348.836 3.233 50 10 EGCARM Cc1c(Br)c(=O)oc2c(Br)c([O-])c(O)cc12 ZINC000000300859 452557425 /nfs/dbraw/zinc/55/74/25/452557425.db2.gz ZIDMZBIYZNIQPJ-UHFFFAOYSA-N -1 0 349.962 3.038 50 10 EGCARM CCC(=S)/C=C1\Sc2ccccc2N1CCCS(=O)(=O)[O-] ZINC000002913690 452735952 /nfs/dbraw/zinc/73/59/52/452735952.db2.gz BATOTSHCIOGUJH-UVTDQMKNSA-N -1 0 343.495 3.498 50 10 EGCARM COc1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000013600982 453474588 /nfs/dbraw/zinc/47/45/88/453474588.db2.gz GYWPUBYIINRTFX-DHDCSXOGSA-N -1 0 342.782 3.118 50 10 EGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000014011220 453498509 /nfs/dbraw/zinc/49/85/09/453498509.db2.gz QIOSAMBOGXZNBY-XNTDXEJSSA-N -1 0 340.766 3.315 50 10 EGCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1nc2ccccc2n1C ZINC000059706110 454261843 /nfs/dbraw/zinc/26/18/43/454261843.db2.gz HYKHDMTTXOOOJT-FVGNFYTDSA-N -1 0 332.367 3.448 50 10 EGCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000000974445 283476608 /nfs/dbraw/zinc/47/66/08/283476608.db2.gz TWRCCMVAWAFZFA-LCFDYFRESA-N -1 0 339.413 3.280 50 10 EGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)cc1C ZINC000000359331 452569585 /nfs/dbraw/zinc/56/95/85/452569585.db2.gz BQJUXLKXOSSYIS-NTEUORMPSA-N -1 0 326.377 3.031 50 10 EGCARM CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)[O-])C1=O ZINC000004812718 452818229 /nfs/dbraw/zinc/81/82/29/452818229.db2.gz CVENVXMOOBHCIX-HOJJKJLFSA-N -1 0 333.434 3.309 50 10 EGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Cl)c3)C2=O)cc1 ZINC000005061508 452833916 /nfs/dbraw/zinc/83/39/16/452833916.db2.gz OXIMXCKKMVYLHP-GDNBJRDFSA-N -1 0 340.766 3.315 50 10 EGCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1O ZINC000000314086 1291019705 /nfs/dbraw/zinc/01/97/05/1291019705.db2.gz ORYTUYUCLOMYRU-YRNVUSSQSA-N -1 0 349.173 3.160 50 10 EGCARM COC(=O)c1sccc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100278037 219096231 /nfs/dbraw/zinc/09/62/31/219096231.db2.gz ISDHQEHLQZTKRX-JLHYYAGUSA-N -1 0 341.392 3.253 50 10 EGCARM CN(C)c1ccc(/C=C/c2nc(N)nc(-c3ccccc3[O-])n2)cc1 ZINC000003906349 210090102 /nfs/dbraw/zinc/09/01/02/210090102.db2.gz QGLBGWZQCXQSPF-FMIVXFBMSA-N -1 0 333.395 3.063 50 10 EGCARM O=C([O-])CNc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000000527544 452614357 /nfs/dbraw/zinc/61/43/57/452614357.db2.gz BPKWLSBWDQONQA-UHFFFAOYSA-N -1 0 334.169 3.177 50 10 EGCARM Cc1cccc(N2C(=O)C(=Cc3cccn3C)C(=O)[N-]C2=S)c1 ZINC000001303939 452653680 /nfs/dbraw/zinc/65/36/80/452653680.db2.gz YEAXOLZBAXTLHF-GXDHUFHOSA-N -1 0 325.393 3.005 50 10 EGCARM O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(O)c([O-])ccc12 ZINC000005997832 452916201 /nfs/dbraw/zinc/91/62/01/452916201.db2.gz NJIPHPGCHIGNDN-UHFFFAOYSA-N -1 0 326.304 3.033 50 10 biogenic EGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3nc4ccccc4[nH]3)C2=O)c1 ZINC000006813388 452993849 /nfs/dbraw/zinc/99/38/49/452993849.db2.gz NKAZJVCYFQOEAJ-RAXLEYEMSA-N -1 0 346.346 3.378 50 10 EGCARM CCc1nnc(N=Cc2c(C)[n-]n(-c3ccc(Cl)cc3)c2=O)s1 ZINC000100161641 219093766 /nfs/dbraw/zinc/09/37/66/219093766.db2.gz QDAAULQQCYQXQV-WQLSENKSSA-N -1 0 347.831 3.472 50 10 EGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)o1 ZINC000000468984 292040130 /nfs/dbraw/zinc/04/01/30/292040130.db2.gz KRXPJHPVRXKBTH-OQLLNIDSSA-N -1 0 340.404 3.036 50 10 EGCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1 ZINC000002991158 304656776 /nfs/dbraw/zinc/65/67/76/304656776.db2.gz ZVJZYQDCSJYFDR-NTEUORMPSA-N -1 0 326.739 3.006 50 10 EGCARM Cc1ccsc1C=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000000449181 452594491 /nfs/dbraw/zinc/59/44/91/452594491.db2.gz LJJFNBMUCHNRQT-UKTHLTGXSA-N -1 0 326.377 3.031 50 10 EGCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000001215508 452649279 /nfs/dbraw/zinc/64/92/79/452649279.db2.gz ZYGAWTWZLNYHJZ-FNWMBBJUSA-N -1 0 335.450 3.450 50 10 EGCARM Cn1cccc1/C=C1/SC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000002415686 209848394 /nfs/dbraw/zinc/84/83/94/209848394.db2.gz OIALTMSAJCBCKD-UKTHLTGXSA-N -1 0 344.417 3.129 50 10 EGCARM CCCC[C@H]([NH2+]Cc1c([O-])ccc2c(CCC)cc(=O)oc21)C(=O)[O-] ZINC000035686313 213047708 /nfs/dbraw/zinc/04/77/08/213047708.db2.gz SWCREEAZBGSOCD-HNNXBMFYSA-N -1 0 347.411 3.184 50 10 EGCARM CC(C)c1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)[N-]C2=S)cc1 ZINC000001406983 276054102 /nfs/dbraw/zinc/05/41/02/276054102.db2.gz KUEJADYSPIXLLC-XNTDXEJSSA-N -1 0 340.404 3.234 50 10 EGCARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000038183085 280277247 /nfs/dbraw/zinc/27/72/47/280277247.db2.gz TXOBURLCYAVOGC-ZRDIBKRKSA-N -1 0 338.367 3.198 50 10 EGCARM Cc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000000447509 452594299 /nfs/dbraw/zinc/59/42/99/452594299.db2.gz IFRNOVQSBRUQQX-BDKUJZOCSA-N -1 0 348.427 3.383 50 10 EGCARM COc1ccc([C@H]2CC(c3ccc(OC)cc3O)=NN2C(C)=O)cc1 ZINC000000538854 452617802 /nfs/dbraw/zinc/61/78/02/452617802.db2.gz HCJQIPFVSXHCST-GOSISDBHSA-N -1 0 340.379 3.107 50 10 EGCARM Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2SC(=S)NC2=O)o1 ZINC000001180460 452646109 /nfs/dbraw/zinc/64/61/09/452646109.db2.gz OYNKFXBZEGBQQM-NTUHNPAUSA-N -1 0 345.401 3.442 50 10 EGCARM COc1ccccc1N1C(=O)C(=Cc2ccc(C)o2)C(=O)[N-]C1=S ZINC000001261212 452650740 /nfs/dbraw/zinc/65/07/40/452650740.db2.gz SKUYXXUCHQCAJL-XFXZXTDPSA-N -1 0 342.376 3.268 50 10 EGCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc[nH]1 ZINC000001301998 452653309 /nfs/dbraw/zinc/65/33/09/452653309.db2.gz TZIACVAYKVLEBG-XYOKQWHBSA-N -1 0 331.784 3.340 50 10 EGCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccccc1C(F)(F)F ZINC000004501956 452806247 /nfs/dbraw/zinc/80/62/47/452806247.db2.gz IUSFFNMADAHVQX-JLHYYAGUSA-N -1 0 332.281 3.167 50 10 EGCARM Cc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1C[C@@H](C)O[C@@H](C)C1 ZINC000013125331 453446184 /nfs/dbraw/zinc/44/61/84/453446184.db2.gz SAJYOPWDHYJDOJ-PHIMTYICSA-N -1 0 337.803 3.070 50 10 EGCARM O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)cc1 ZINC000013457874 453464971 /nfs/dbraw/zinc/46/49/71/453464971.db2.gz XXOSNTFGLAKMFZ-GHXNOFRVSA-N -1 0 331.374 3.134 50 10 EGCARM O=C([O-])c1ccc(NC2=NC(=O)C(=Cc3cccs3)S2)cc1O ZINC000028296978 453822913 /nfs/dbraw/zinc/82/29/13/453822913.db2.gz RGOCOEJVSBIPPL-KPKJPENVSA-N -1 0 346.389 3.234 50 10 EGCARM CCC(=O)N[C@H](c1ccco1)c1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000000452767 1291020369 /nfs/dbraw/zinc/02/03/69/1291020369.db2.gz AUWZTNRVNIEWOZ-QGZVFWFLSA-N -1 0 339.347 3.452 50 10 EGCARM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cccn3C)C2=O)c(C)c1 ZINC000009058939 301183568 /nfs/dbraw/zinc/18/35/68/301183568.db2.gz YKLIETBMTATDGQ-GDNBJRDFSA-N -1 0 337.379 3.457 50 10 EGCARM Cc1ccc(C)c([N-]S(=O)(=O)c2c3nsnc3ccc2C)c1 ZINC000000296712 452556127 /nfs/dbraw/zinc/55/61/27/452556127.db2.gz PFNUUUINXPEFHV-UHFFFAOYSA-N -1 0 333.438 3.417 50 10 EGCARM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000000457701 452599400 /nfs/dbraw/zinc/59/94/00/452599400.db2.gz NRHJOUCEFHPYLD-MKMNVTDBSA-N -1 0 333.750 3.067 50 10 EGCARM O=C([O-])CCCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S ZINC000001227681 452649263 /nfs/dbraw/zinc/64/92/63/452649263.db2.gz QQSOHHXEKGNSCC-BHDALRANSA-N -1 0 333.434 3.309 50 10 EGCARM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)c1 ZINC000003023843 452740208 /nfs/dbraw/zinc/74/02/08/452740208.db2.gz BHFPIPOWNHCUDR-KPKJPENVSA-N -1 0 331.374 3.134 50 10 EGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1 ZINC000016309495 453599644 /nfs/dbraw/zinc/59/96/44/453599644.db2.gz CTTXWYHQYXTDOY-UVTDQMKNSA-N -1 0 337.291 3.102 50 10 EGCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000002399970 209847381 /nfs/dbraw/zinc/84/73/81/209847381.db2.gz RTQIHKNMLBAXSB-SBMLRHLQSA-N -1 0 327.452 3.203 50 10 EGCARM COc1cccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000012462290 211388108 /nfs/dbraw/zinc/38/81/08/211388108.db2.gz FCIPHUGWENYKHB-DHDCSXOGSA-N -1 0 342.782 3.118 50 10 EGCARM CCCCN1C(=O)[N-]C(=O)C(=Cc2cn(C)c3ccccc23)C1=O ZINC000008974283 211023744 /nfs/dbraw/zinc/02/37/44/211023744.db2.gz QVFOXGYGUUVQFV-UVTDQMKNSA-N -1 0 325.368 3.281 50 10 EGCARM O=C([O-])c1cc(O)ccc1NC(=O)c1ccc(Br)cc1 ZINC000012021185 304226432 /nfs/dbraw/zinc/22/64/32/304226432.db2.gz QTEYHUPDIFTJSN-UHFFFAOYSA-N -1 0 336.141 3.105 50 10 EGCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000000966978 298215326 /nfs/dbraw/zinc/21/53/26/298215326.db2.gz ZEHMKIXTESILQT-LWYMYGMPSA-N -1 0 327.814 3.014 50 10 EGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccs1 ZINC000002119680 304656864 /nfs/dbraw/zinc/65/68/64/304656864.db2.gz XYLSXYSCIIYVDW-XYOKQWHBSA-N -1 0 332.768 3.068 50 10 EGCARM CCCCc1ccccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000014256310 453526258 /nfs/dbraw/zinc/52/62/58/453526258.db2.gz YYHGONWTQNKABG-UHFFFAOYSA-N -1 0 331.397 3.366 50 10 EGCARM O=C1[N-]N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\C=C\c1ccco1 ZINC000015837509 453586079 /nfs/dbraw/zinc/58/60/79/453586079.db2.gz FLHSBPLXENYFQO-AVFBQEPNSA-N -1 0 332.718 3.090 50 10 EGCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\C=C\c2ccco2)SC1=S ZINC000027533569 453818232 /nfs/dbraw/zinc/81/82/32/453818232.db2.gz VXDQDIVHBFUZKI-CRHABICSSA-N -1 0 337.422 3.146 50 10 EGCARM CCOc1ccccc1/C=C1/C(=O)[N-]N(c2cccc(Cl)c2)C1=O ZINC000032109821 453864966 /nfs/dbraw/zinc/86/49/66/453864966.db2.gz ZCFDUTNUSDZTEX-GDNBJRDFSA-N -1 0 342.782 3.200 50 10 EGCARM Cc1ccc(/C=C2\C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000207341975 547237399 /nfs/dbraw/zinc/23/73/99/547237399.db2.gz NKDUEKMILMQTRX-OQLLNIDSSA-N -1 0 326.783 3.418 50 10 EGCARM CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)SC1=S ZINC000004596654 210228989 /nfs/dbraw/zinc/22/89/89/210228989.db2.gz SAARDBICRTYIIQ-MDWZMJQESA-N -1 0 345.401 3.476 50 10 EGCARM O=C([O-])CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000002237759 209834453 /nfs/dbraw/zinc/83/44/53/209834453.db2.gz LKWJDVJMIFOUHG-YFHOEESVSA-N -1 0 327.814 3.016 50 10 EGCARM Cc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1C[C@H](C)O[C@@H](C)C1 ZINC000019791732 291658814 /nfs/dbraw/zinc/65/88/14/291658814.db2.gz SAJYOPWDHYJDOJ-QWRGUYRKSA-N -1 0 337.803 3.070 50 10 EGCARM Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000014009269 258056348 /nfs/dbraw/zinc/05/63/48/258056348.db2.gz LZBPRDUNDSUHTR-ZSOIEALJSA-N -1 0 326.312 3.023 50 10 EGCARM Cc1ccc2nsnc2c1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000000087423 452504519 /nfs/dbraw/zinc/50/45/19/452504519.db2.gz IUAWXZMJHJYKSZ-UHFFFAOYSA-N -1 0 339.829 3.454 50 10 EGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000000087558 452504724 /nfs/dbraw/zinc/50/47/24/452504724.db2.gz YDZYEUWRQZNLJF-MHWRWJLKSA-N -1 0 345.358 3.143 50 10 biogenic EGCARM O=C([O-])CN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000000966993 452639197 /nfs/dbraw/zinc/63/91/97/452639197.db2.gz DXADFRHPQBUESF-JYRVWZFOSA-N -1 0 329.402 3.126 50 10 EGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)c(C)c1 ZINC000001268927 452651028 /nfs/dbraw/zinc/65/10/28/452651028.db2.gz LVVLYEBHXOALBC-UKTHLTGXSA-N -1 0 326.377 3.236 50 10 EGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccccc1Cl ZINC000004703304 452814074 /nfs/dbraw/zinc/81/40/74/452814074.db2.gz QCHPCQRNYZMDJA-UKTHLTGXSA-N -1 0 344.729 3.146 50 10 EGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\C=C\c1ccccc1 ZINC000013546450 453470463 /nfs/dbraw/zinc/47/04/63/453470463.db2.gz NBUFXEWVULAYRF-QSJINSDNSA-N -1 0 336.322 3.048 50 10 EGCARM CCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](C(=O)[O-])[C@H](C)CC ZINC000004041714 210106001 /nfs/dbraw/zinc/10/60/01/210106001.db2.gz QUNCZWVRGYTLBS-PIGZYNQJSA-N -1 0 347.411 3.040 50 10 biogenic EGCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1c(Cl)cccc1Cl ZINC000000446952 304679855 /nfs/dbraw/zinc/67/98/55/304679855.db2.gz SZVJCAPCQJGOBE-FMIVXFBMSA-N -1 0 333.174 3.455 50 10 EGCARM O=C([O-])CCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000000975594 452639473 /nfs/dbraw/zinc/63/94/73/452639473.db2.gz NCILNNGPOXLNPV-JYRVWZFOSA-N -1 0 346.433 3.234 50 10 EGCARM CCCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](C(=O)[O-])C(C)C ZINC000002121640 452686611 /nfs/dbraw/zinc/68/66/11/452686611.db2.gz CBPWFNJOVAQVIC-KRWDZBQOSA-N -1 0 347.411 3.040 50 10 biogenic EGCARM Cc1ccc(C=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)o1 ZINC000017027993 453626054 /nfs/dbraw/zinc/62/60/54/453626054.db2.gz QUYBMJHCUBNSFC-RIYZIHGNSA-N -1 0 328.299 3.229 50 10 EGCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)/C1=C/C=C/c1ccco1 ZINC000000502522 209638141 /nfs/dbraw/zinc/63/81/41/209638141.db2.gz CIFCHVMLEBKERO-PVZXKMMOSA-N -1 0 340.379 3.188 50 10 EGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000019797737 212070109 /nfs/dbraw/zinc/07/01/09/212070109.db2.gz YDZYEUWRQZNLJF-YBEGLDIGSA-N -1 0 345.358 3.143 50 10 EGCARM O=C([O-])C1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000004992246 210352698 /nfs/dbraw/zinc/35/26/98/210352698.db2.gz SIRMBVOKJSHEEF-UVTDQMKNSA-N -1 0 326.739 3.211 50 10 EGCARM CCc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000000446576 452593497 /nfs/dbraw/zinc/59/34/97/452593497.db2.gz UAMZRFCTEQGAMV-ATVHPVEESA-N -1 0 334.375 3.224 50 10 EGCARM O=C([O-])c1cc(NS(=O)(=O)c2cccc3ccccc32)ccc1O ZINC000000572784 452627319 /nfs/dbraw/zinc/62/73/19/452627319.db2.gz XAABHYRVSYKXSV-UHFFFAOYSA-N -1 0 343.360 3.044 50 10 EGCARM O=C([O-])CN1C(=O)/C(=C/c2ccc3ccccc3c2)SC1=S ZINC000001214918 452649012 /nfs/dbraw/zinc/64/90/12/452649012.db2.gz HSUGOEFDHKSPDR-JYRVWZFOSA-N -1 0 329.402 3.126 50 10 EGCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000001770103 452675928 /nfs/dbraw/zinc/67/59/28/452675928.db2.gz FVLKKHRUPRHFJS-RDQDRAATSA-N -1 0 339.413 3.136 50 10 EGCARM Cc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000002947478 452735992 /nfs/dbraw/zinc/73/59/92/452735992.db2.gz NFWCCIXYFOLUBW-XNTDXEJSSA-N -1 0 340.766 3.315 50 10 EGCARM Cc1noc(C)c1S(=O)(=O)[N-]c1nc(-c2ccccc2)cs1 ZINC000040267316 213285765 /nfs/dbraw/zinc/28/57/65/213285765.db2.gz HLOYNZXERVBTBW-UHFFFAOYSA-N -1 0 335.410 3.216 50 10 EGCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001236378 452649259 /nfs/dbraw/zinc/64/92/59/452649259.db2.gz MRVNIMNARZNNMR-MBACFSSFSA-N -1 0 327.452 3.059 50 10 EGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000014011222 304656829 /nfs/dbraw/zinc/65/68/29/304656829.db2.gz PWLMIFFSEPMRJG-NTEUORMPSA-N -1 0 344.729 3.146 50 10 EGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)s1 ZINC000000447559 301479966 /nfs/dbraw/zinc/47/99/66/301479966.db2.gz NVSYSGOQDCXTBL-NTEUORMPSA-N -1 0 326.377 3.031 50 10 EGCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S ZINC000000973299 452639210 /nfs/dbraw/zinc/63/92/10/452639210.db2.gz UWZGKFZEMBHKEK-MDWZMJQESA-N -1 0 345.401 3.232 50 10 EGCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S ZINC000000966980 452639541 /nfs/dbraw/zinc/63/95/41/452639541.db2.gz ODZDWXHAWODHQZ-LOBLAWFCSA-N -1 0 327.814 3.014 50 10 EGCARM O=C([O-])CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000001214166 452647531 /nfs/dbraw/zinc/64/75/31/452647531.db2.gz LKWJDVJMIFOUHG-JXMROGBWSA-N -1 0 327.814 3.016 50 10 EGCARM CCCCc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1 ZINC000014255781 453526624 /nfs/dbraw/zinc/52/66/24/453526624.db2.gz UPODSJXKYWFDLW-UHFFFAOYSA-N -1 0 331.397 3.366 50 10 EGCARM