smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(c2ncc(C(=O)[O-])s2)C(C)(C)C1 ZINC000380379646 712900227 /nfs/dbraw/zinc/90/02/27/712900227.db2.gz MXSDAJRYADJBMN-ZETCQYMHSA-N -1 0 240.328 2.466 20 0 BEADRM C[C@H]1CN(c2cccc(C(=O)[O-])n2)C(C)(C)C1 ZINC000380378987 712900355 /nfs/dbraw/zinc/90/03/55/712900355.db2.gz MAANFPWPCGDAPM-SECBINFHSA-N -1 0 234.299 2.405 20 0 BEADRM Cc1nc(N2CC[C@H](C)[C@@H]2C)sc1C(=O)[O-] ZINC000380549387 712901476 /nfs/dbraw/zinc/90/14/76/712901476.db2.gz JSSCDZXPNIDSOS-XPUUQOCRSA-N -1 0 240.328 2.384 20 0 BEADRM CS[C@@H]1CC[C@@H](N=c2[n-]nc(C(F)F)o2)C1 ZINC000381871820 710757427 /nfs/dbraw/zinc/75/74/27/710757427.db2.gz YWQKAUMLGIQIRY-PHDIDXHHSA-N -1 0 249.286 2.125 20 0 BEADRM Cc1nc(N[C@@H]2CC[C@@H](C)C2)ncc1C(=O)[O-] ZINC000132962771 710966713 /nfs/dbraw/zinc/96/67/13/710966713.db2.gz PRKPBQLJJXEQBJ-VXNVDRBHSA-N -1 0 235.287 2.084 20 0 BEADRM CC(C)c1cc(N[C@@H](C)[C@@H](C)C(=O)[O-])ncn1 ZINC000133366604 710970213 /nfs/dbraw/zinc/97/02/13/710970213.db2.gz FITONQLRWOMJHF-BDAKNGLRSA-N -1 0 237.303 2.121 20 0 BEADRM CC(C)c1cc(N[C@H](C)[C@H](C)C(=O)[O-])ncn1 ZINC000133367183 710970763 /nfs/dbraw/zinc/97/07/63/710970763.db2.gz FITONQLRWOMJHF-DTWKUNHWSA-N -1 0 237.303 2.121 20 0 BEADRM CCCCCCNC(=O)CC1(C(=O)[O-])CCC1 ZINC000384047729 710987829 /nfs/dbraw/zinc/98/78/29/710987829.db2.gz WCVMKNPPCVYSKC-UHFFFAOYSA-N -1 0 241.331 2.328 20 0 BEADRM Cc1nc(N(C)[C@H](C)C2(C)CC2)ncc1C(=O)[O-] ZINC000385237986 711008088 /nfs/dbraw/zinc/00/80/88/711008088.db2.gz XVNNOYLXTNGXOL-SECBINFHSA-N -1 0 249.314 2.108 20 0 BEADRM CC[C@H](C)[C@H](NC(=O)OC1CCCC1)C(=O)[O-] ZINC000148919524 711053096 /nfs/dbraw/zinc/05/30/96/711053096.db2.gz VFBVSJUNIMLSQW-WPRPVWTQSA-N -1 0 243.303 2.155 20 0 BEADRM CC[C@@H](CCC(=O)[O-])NC(=O)OC1CCCC1 ZINC000391824469 711140478 /nfs/dbraw/zinc/14/04/78/711140478.db2.gz ZAVQYMYKIHCSEP-VIFPVBQESA-N -1 0 243.303 2.299 20 0 BEADRM Cc1nc(N[C@@H]2C[C@H]2CC(C)C)ncc1C(=O)[O-] ZINC000395329356 711208708 /nfs/dbraw/zinc/20/87/08/711208708.db2.gz ATFQLPDVJPVGOA-MWLCHTKSSA-N -1 0 249.314 2.330 20 0 BEADRM CC/C=C(/C)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000397006867 711373920 /nfs/dbraw/zinc/37/39/20/711373920.db2.gz HTJRUDZLVXWHOI-XFDQCWFDSA-N -1 0 239.315 2.054 20 0 BEADRM Cc1nc(N[C@@H](C)CCC2CC2)ncc1C(=O)[O-] ZINC000398491174 711411232 /nfs/dbraw/zinc/41/12/32/711411232.db2.gz WADPYKAIWAMCDY-QMMMGPOBSA-N -1 0 249.314 2.474 20 0 BEADRM CCCc1nc(=N[C@@H](C)c2ccc[nH]2)s[n-]1 ZINC000381473658 710642734 /nfs/dbraw/zinc/64/27/34/710642734.db2.gz PRNSQNXWDPCWJX-QMMMGPOBSA-N -1 0 236.344 2.414 20 0 BEADRM C[C@@H](CCC(C)(C)C)NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000386035418 711020637 /nfs/dbraw/zinc/02/06/37/711020637.db2.gz RNYJMVLOMJZEAB-AEJSXWLSSA-N -1 0 241.331 2.038 20 0 BEADRM C[C@H](C1CC1)N(C)c1cccc(C(=O)[O-])n1 ZINC000051043020 711514180 /nfs/dbraw/zinc/51/41/80/711514180.db2.gz NSFYTRAHOGIASA-MRVPVSSYSA-N -1 0 220.272 2.015 20 0 BEADRM Cc1nc(NCCC2CC=CC2)ncc1C(=O)[O-] ZINC000724216880 711570479 /nfs/dbraw/zinc/57/04/79/711570479.db2.gz LQKQLCCTZGRULI-UHFFFAOYSA-N -1 0 247.298 2.251 20 0 BEADRM CSCCCCCCN=c1[n-]nc(C)o1 ZINC000393611056 711589906 /nfs/dbraw/zinc/58/99/06/711589906.db2.gz HBWCPDJUVCJNRT-UHFFFAOYSA-N -1 0 229.349 2.135 20 0 BEADRM CC[C@@H](C)[C@@H](C)Nc1ncc(C(=O)[O-])c(C)n1 ZINC000134346838 711643422 /nfs/dbraw/zinc/64/34/22/711643422.db2.gz SWKRCSOJJFSGLX-HTQZYQBOSA-N -1 0 237.303 2.330 20 0 BEADRM CC[C@H](CC(=O)NC1(C(=O)[O-])CCC1)C(C)C ZINC000236927575 711763278 /nfs/dbraw/zinc/76/32/78/711763278.db2.gz WHQGUMMKFFAKTD-SNVBAGLBSA-N -1 0 241.331 2.182 20 0 BEADRM CC[C@H](C)CCC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000909300264 711817659 /nfs/dbraw/zinc/81/76/59/711817659.db2.gz LWQBVNLAZDLZFX-GWCFXTLKSA-N -1 0 241.331 2.136 20 0 BEADRM CC(C)c1nsc(N[C@H](C)[C@H](C)C(=O)[O-])n1 ZINC000164894627 711825627 /nfs/dbraw/zinc/82/56/27/711825627.db2.gz VLKLEJYFQYBAKR-NKWVEPMBSA-N -1 0 243.332 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BEADRM CC1(Nc2ccc(C(=O)[O-])cn2)CC=CC1 ZINC000702103036 712039058 /nfs/dbraw/zinc/03/90/58/712039058.db2.gz SZBMSPJBQUJAJM-UHFFFAOYSA-N -1 0 218.256 2.300 20 0 BEADRM Cc1nc(N[C@@H]2CC=C(C(=O)[O-])C2)sc1C ZINC000702558895 712055145 /nfs/dbraw/zinc/05/51/45/712055145.db2.gz JDVOOTOMMRRZNQ-SECBINFHSA-N -1 0 238.312 2.345 20 0 BEADRM O=C([O-])C1CC(Nc2nc3ccccc3o2)C1 ZINC000703515739 712077273 /nfs/dbraw/zinc/07/72/73/712077273.db2.gz CDAANLXVURGHHG-UHFFFAOYSA-N -1 0 232.239 2.103 20 0 BEADRM CC(C)C[C@@H](C)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000704736967 712114686 /nfs/dbraw/zinc/11/46/86/712114686.db2.gz JDMBGFNNYYRMRC-GHMZBOCLSA-N -1 0 241.331 2.134 20 0 BEADRM CCC(F)(F)CN1CCC(CC(=O)[O-])CC1 ZINC000704747084 712114796 /nfs/dbraw/zinc/11/47/96/712114796.db2.gz HLEQTQCLMXFNGY-UHFFFAOYSA-N -1 0 235.274 2.218 20 0 BEADRM CC(C)C[C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000704741239 712114811 /nfs/dbraw/zinc/11/48/11/712114811.db2.gz URIITEXJOIBTGH-NOZJJQNGSA-N -1 0 241.331 2.038 20 0 BEADRM CCC(F)(F)CN1CCC[C@](C)(C(=O)[O-])C1 ZINC000704738514 712114993 /nfs/dbraw/zinc/11/49/93/712114993.db2.gz KLWZLOKZDPBHTN-JTQLQIEISA-N -1 0 235.274 2.218 20 0 BEADRM O=C([O-])c1cnc(N2CCC[C@H]2C2CC2)s1 ZINC000706494205 712147358 /nfs/dbraw/zinc/14/73/58/712147358.db2.gz JRWWKRPVXZDSCB-QMMMGPOBSA-N -1 0 238.312 2.220 20 0 BEADRM Cc1nc(N[C@@H]2CCCC23CC3)ncc1C(=O)[O-] ZINC000706588517 712150555 /nfs/dbraw/zinc/15/05/55/712150555.db2.gz KBQUMJNJTYQXOQ-SNVBAGLBSA-N -1 0 247.298 2.228 20 0 BEADRM CCN(C(=O)/C=C\c1ccccc1)[C@H](C)C(=O)[O-] ZINC000707946965 712174120 /nfs/dbraw/zinc/17/41/20/712174120.db2.gz HUDYBEZQAJJTBP-DWOQACPDSA-N -1 0 247.294 2.021 20 0 BEADRM O=C([O-])c1ncccc1-c1cnc(C2CC2)o1 ZINC000707614268 712176303 /nfs/dbraw/zinc/17/63/03/712176303.db2.gz CDFLMZNCMNBDCC-UHFFFAOYSA-N -1 0 230.223 2.312 20 0 BEADRM CCC[C@H]1CCCN(c2cc(C(=O)[O-])ncn2)C1 ZINC000708436696 712195012 /nfs/dbraw/zinc/19/50/12/712195012.db2.gz PNSOPZJMQKHXOF-JTQLQIEISA-N -1 0 249.314 2.191 20 0 BEADRM CO[C@@H](CNc1cccc(C(=O)[O-])c1)C1CC1 ZINC000378808941 712362383 /nfs/dbraw/zinc/36/23/83/712362383.db2.gz XLOJKZJAIYVTAA-LBPRGKRZSA-N -1 0 235.283 2.222 20 0 BEADRM Cn1ncc(C(=O)[O-])c1-c1cccc(F)c1F ZINC000379143458 712370389 /nfs/dbraw/zinc/37/03/89/712370389.db2.gz BSOZZLXYNZGZNM-UHFFFAOYSA-N -1 0 238.193 2.064 20 0 BEADRM C=C/C=C/CCNC(=O)CC(C)(C)CC(=O)[O-] ZINC000713478034 712461553 /nfs/dbraw/zinc/46/15/53/712461553.db2.gz JVQUAMDCDRDCEJ-AATRIKPKSA-N -1 0 239.315 2.126 20 0 BEADRM CC(C)(C)n1cc(-c2cnccc2C(=O)[O-])cn1 ZINC000714296820 712481710 /nfs/dbraw/zinc/48/17/10/712481710.db2.gz ZODZLVPOHFVPCC-UHFFFAOYSA-N -1 0 245.282 2.398 20 0 BEADRM CCCC(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000036895580 712513253 /nfs/dbraw/zinc/51/32/53/712513253.db2.gz YAXLIVDNTHPQIH-UHFFFAOYSA-N -1 0 233.267 2.074 20 0 BEADRM Cc1c(NC2CCOCC2)cccc1C(=O)[O-] ZINC000037122509 712546147 /nfs/dbraw/zinc/54/61/47/712546147.db2.gz HFHJWJNWJQSMJM-UHFFFAOYSA-N -1 0 235.283 2.284 20 0 BEADRM O=C([O-])c1cc(NCCCCC2CC2)ncn1 ZINC000716417248 712559696 /nfs/dbraw/zinc/55/96/96/712559696.db2.gz OAUVQECUUNIMCU-UHFFFAOYSA-N -1 0 235.287 2.167 20 0 BEADRM Cc1ccc(C(=O)N2CC[C@@H](C)C2)cc1C(=O)[O-] ZINC000716441720 712561216 /nfs/dbraw/zinc/56/12/16/712561216.db2.gz SCGHAPNKKOHMIC-SECBINFHSA-N -1 0 247.294 2.175 20 0 BEADRM CC(C)=CC(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000037322613 712568347 /nfs/dbraw/zinc/56/83/47/712568347.db2.gz ZWMVRSGLYRWDDO-UHFFFAOYSA-N -1 0 245.278 2.240 20 0 BEADRM CC[C@@H](C)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000037322701 712568596 /nfs/dbraw/zinc/56/85/96/712568596.db2.gz DQIFSYHCQDVBDC-SECBINFHSA-N -1 0 247.294 2.320 20 0 BEADRM CCON(C(=O)c1cccc(F)c1[O-])C(C)C ZINC000823602768 712591550 /nfs/dbraw/zinc/59/15/50/712591550.db2.gz GUMNXNIJDWJTNH-UHFFFAOYSA-N -1 0 241.262 2.333 20 0 BEADRM O=C([O-])c1ccc(NCC[C@@H]2CC[C@@H]3C[C@@H]32)nn1 ZINC000716994330 712603019 /nfs/dbraw/zinc/60/30/19/712603019.db2.gz VJMGKRGGDQZPJO-IVZWLZJFSA-N -1 0 247.298 2.023 20 0 BEADRM CCCC(CCC)C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000132921867 712639371 /nfs/dbraw/zinc/63/93/71/712639371.db2.gz FFHTYNWMFYHPDS-ZJUUUORDSA-N -1 0 243.347 2.428 20 0 BEADRM C[C@H](CC(=O)[O-])CC(=O)NC1CCC=CCC1 ZINC000718062350 712739958 /nfs/dbraw/zinc/73/99/58/712739958.db2.gz WFDSGIQPJHPAQU-JTQLQIEISA-N -1 0 239.315 2.102 20 0 BEADRM CC(C)c1cc(NC2CC(CC(=O)[O-])C2)ncn1 ZINC000718128715 712746756 /nfs/dbraw/zinc/74/67/56/712746756.db2.gz LWMNAXCRGQFUNW-UHFFFAOYSA-N -1 0 249.314 2.265 20 0 BEADRM CC[C@H](CNc1ccnc2ncccc12)C(=O)[O-] ZINC000718922294 712789394 /nfs/dbraw/zinc/78/93/94/712789394.db2.gz DCEYTENVRRWCBD-SECBINFHSA-N -1 0 245.282 2.153 20 0 BEADRM CN(CCC(=O)[O-])C(=O)[C@@H]1CCC=CCCC1 ZINC000719113334 712798175 /nfs/dbraw/zinc/79/81/75/712798175.db2.gz HTYMUROLOPWDDJ-LLVKDONJSA-N -1 0 239.315 2.056 20 0 BEADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCC=CCCC1 ZINC000719113034 712798227 /nfs/dbraw/zinc/79/82/27/712798227.db2.gz CAOJMIVAFKLPJX-MNOVXSKESA-N -1 0 239.315 2.054 20 0 BEADRM CC(C)[C@H](Nc1cccc(Cl)n1)C(=O)[O-] ZINC000380267128 712857013 /nfs/dbraw/zinc/85/70/13/712857013.db2.gz UQNNKYNNSIXSAO-VIFPVBQESA-N -1 0 228.679 2.256 20 0 BEADRM CCCC[C@H](C)C(=O)NCC(C)(C)CC(=O)[O-] ZINC000720910033 712877323 /nfs/dbraw/zinc/87/73/23/712877323.db2.gz GFKSAOSXNOMFLV-JTQLQIEISA-N -1 0 243.347 2.430 20 0 BEADRM O=C([O-])c1ccc(Sc2ncccn2)cc1 ZINC000019802669 957119791 /nfs/dbraw/zinc/11/97/91/957119791.db2.gz PJPAVQDJTQGGQS-UHFFFAOYSA-N -1 0 232.264 2.326 20 0 BEADRM COCCNc1cccc(Cl)c1C(=O)[O-] ZINC000054527082 957539506 /nfs/dbraw/zinc/53/95/06/957539506.db2.gz HGLYTAGGZBCUGX-UHFFFAOYSA-N -1 0 229.663 2.097 20 0 BEADRM CC(C)c1csc(SCC(=O)[O-])n1 ZINC000070598364 957692618 /nfs/dbraw/zinc/69/26/18/957692618.db2.gz VAKLHFXDMCIBTG-UHFFFAOYSA-N -1 0 217.315 2.443 20 0 BEADRM CC[C@@H](Nc1ccc(C)c(F)c1)C(=O)[O-] ZINC000082757769 957801773 /nfs/dbraw/zinc/80/17/73/957801773.db2.gz JLXDNJFDWPHABD-SNVBAGLBSA-N -1 0 211.236 2.409 20 0 BEADRM CC[C@H](Nc1cccc(COC)c1)C(=O)[O-] ZINC000082758400 957801891 /nfs/dbraw/zinc/80/18/91/957801891.db2.gz XGYGBSJVVTVZSY-NSHDSACASA-N -1 0 223.272 2.108 20 0 BEADRM O=C([O-])c1ccc2c(c1)N(CC1CC1)CC2 ZINC000163963913 959249767 /nfs/dbraw/zinc/24/97/67/959249767.db2.gz RVUKKFYLWQBUIX-UHFFFAOYSA-N -1 0 217.268 2.157 20 0 BEADRM Cc1ccc([C@@H](C)[N-]C(=O)C(F)(F)F)nc1 ZINC001142767851 961721577 /nfs/dbraw/zinc/72/15/77/961721577.db2.gz GHINVRYVRHIYTC-SSDOTTSWSA-N -1 0 232.205 2.130 20 0 BEADRM CCCOC(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000304479149 963143782 /nfs/dbraw/zinc/14/37/82/963143782.db2.gz ASQYAYQQBGMKKU-UHFFFAOYSA-N -1 0 243.303 2.300 20 0 BEADRM CCC(CC)(NCC(F)(F)C(F)F)C(=O)[O-] ZINC000309138219 963328845 /nfs/dbraw/zinc/32/88/45/963328845.db2.gz SHEUHQIFIGKBAC-UHFFFAOYSA-N -1 0 245.216 2.120 20 0 BEADRM O=C([O-])c1nccc(SCC2CCCC2)n1 ZINC000309205649 963331802 /nfs/dbraw/zinc/33/18/02/963331802.db2.gz GCLLAHGYJOMUES-UHFFFAOYSA-N -1 0 238.312 2.457 20 0 BEADRM CCCC[C@@H](C)N(C)C(=O)CCCC(=O)[O-] ZINC000309391249 963345804 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BEADRM CC[C@@H](Nc1nccc(C(C)(C)C)n1)C(=O)[O-] ZINC000380151277 346517743 /nfs/dbraw/zinc/51/77/43/346517743.db2.gz SAEOUBFRHGDUMZ-MRVPVSSYSA-N -1 0 237.303 2.049 20 0 BEADRM C[C@@H]1CC[C@H](Nc2ccc(C(=O)[O-])nn2)[C@H](C)C1 ZINC000070115769 349966655 /nfs/dbraw/zinc/96/66/55/349966655.db2.gz VZKAPAJCEQTRDE-BBBLOLIVSA-N -1 0 249.314 2.411 20 0 BEADRM Cc1cccc(F)c1NC(=O)c1ncccc1[O-] ZINC000128770984 179110837 /nfs/dbraw/zinc/11/08/37/179110837.db2.gz VVWFRCATTSVKKB-UHFFFAOYSA-N -1 0 246.241 2.487 20 0 BEADRM Cc1cc(C)cc(NC(=O)NC2(C(=O)[O-])CC2)c1 ZINC000203517804 346535074 /nfs/dbraw/zinc/53/50/74/346535074.db2.gz LNKDLLUVCAILQV-UHFFFAOYSA-N -1 0 248.282 2.042 20 0 BEADRM CC[C@@H](C)[C@@H](C)Nc1ncncc1C(=O)[O-] ZINC000300946699 346548874 /nfs/dbraw/zinc/54/88/74/346548874.db2.gz SYDVASRIYSQGDQ-HTQZYQBOSA-N -1 0 223.276 2.021 20 0 BEADRM Cc1ccc(CSc2n[nH]c(=O)[n-]2)cc1 ZINC000187646319 346594195 /nfs/dbraw/zinc/59/41/95/346594195.db2.gz UHYZTUQUVMJDGQ-UHFFFAOYSA-N -1 0 221.285 2.111 20 0 BEADRM 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C[C@H](C(=O)[O-])[S@](=O)C(C)(C)c1ccccc1 ZINC000590901066 347584684 /nfs/dbraw/zinc/58/46/84/347584684.db2.gz SXDQRNOWAHLNBG-ABKXIKBNSA-N -1 0 240.324 2.144 20 0 BEADRM CN(CC(F)F)[C@H](C(=O)[O-])c1ccccc1F ZINC000577287174 365917916 /nfs/dbraw/zinc/91/79/16/365917916.db2.gz YSIJXWXBJSBQGI-JTQLQIEISA-N -1 0 247.216 2.148 20 0 BEADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)C1CC1 ZINC000020230083 179296735 /nfs/dbraw/zinc/29/67/35/179296735.db2.gz WGRNLLPSOINZAG-UHFFFAOYSA-N -1 0 247.294 2.213 20 0 BEADRM Cc1ccccc1OC(=O)CCCC(=O)[O-] ZINC000049818775 179308517 /nfs/dbraw/zinc/30/85/17/179308517.db2.gz TVUOJSJACVUEEC-UHFFFAOYSA-N -1 0 222.240 2.155 20 0 BEADRM CCOC(=O)c1coc(=NCC[C@@H](C)CC)[n-]1 ZINC000596415544 348539806 /nfs/dbraw/zinc/53/98/06/348539806.db2.gz KZYLTYHLNNBRPV-VIFPVBQESA-N -1 0 240.303 2.121 20 0 BEADRM CCSC1(CN=c2[n-]nc(C(C)C)o2)CC1 ZINC000596510069 348572489 /nfs/dbraw/zinc/57/24/89/348572489.db2.gz BXCQAQLTZALQFX-UHFFFAOYSA-N -1 0 241.360 2.313 20 0 BEADRM 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CCc1csc(N2CC[C@H](C(=O)[O-])[C@H]2C)n1 ZINC000252595930 349200890 /nfs/dbraw/zinc/20/08/90/349200890.db2.gz HVGWHRMMAUQILH-APPZFPTMSA-N -1 0 240.328 2.005 20 0 BEADRM CCCC(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC000211765640 349282848 /nfs/dbraw/zinc/28/28/48/349282848.db2.gz WXQJIQNMRFIOHS-UHFFFAOYSA-N -1 0 237.255 2.132 20 0 BEADRM CC(C)OC(=O)c1c[nH]nc1-c1ccco1 ZINC000601706456 349328830 /nfs/dbraw/zinc/32/88/30/349328830.db2.gz VJXPPSRPACAGEN-UHFFFAOYSA-N -1 0 220.228 2.235 20 0 BEADRM CCC[C@H](C)N(C)C(=O)C[C@@H](C)CC(=O)[O-] ZINC000061834604 349406806 /nfs/dbraw/zinc/40/68/06/349406806.db2.gz SOTICJVDEMFRJN-ZJUUUORDSA-N -1 0 229.320 2.134 20 0 BEADRM CC(C)CC[C@H](C)NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000061834644 349406819 /nfs/dbraw/zinc/40/68/19/349406819.db2.gz ISHFZUIVVVUGHT-MNOVXSKESA-N -1 0 243.347 2.428 20 0 BEADRM CCC[C@@H](C)N(C)C(=O)C[C@H](C)CC(=O)[O-] ZINC000061834605 349407060 /nfs/dbraw/zinc/40/70/60/349407060.db2.gz SOTICJVDEMFRJN-VHSXEESVSA-N -1 0 229.320 2.134 20 0 BEADRM Cc1cccc(CNC(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC000061835073 349407740 /nfs/dbraw/zinc/40/77/40/349407740.db2.gz ROPNSCPNGTWONB-LLVKDONJSA-N -1 0 249.310 2.112 20 0 BEADRM CC[C@H](C)[C@H](C)NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000061837139 349408752 /nfs/dbraw/zinc/40/87/52/349408752.db2.gz XZBRBEBPMGROKZ-UTLUCORTSA-N -1 0 229.320 2.038 20 0 BEADRM CC(C)[C@H](C)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000070122222 191002775 /nfs/dbraw/zinc/00/27/75/191002775.db2.gz AVRHFCDZBPXJTP-NSHDSACASA-N -1 0 249.310 2.396 20 0 BEADRM Cc1nc(N2CCC[C@H]2CC(=O)[O-])sc1C ZINC000082327619 180003101 /nfs/dbraw/zinc/00/31/01/180003101.db2.gz WHDQBWIYWAYHNZ-VIFPVBQESA-N -1 0 240.328 2.203 20 0 BEADRM CC(C)C[C@H](C)NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000663044647 490324605 /nfs/dbraw/zinc/32/46/05/490324605.db2.gz PMFMWDWNMHTXDR-TVQRCGJNSA-N -1 0 241.331 2.038 20 0 BEADRM CCCC[C@H](C)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000304194310 350148658 /nfs/dbraw/zinc/14/86/58/350148658.db2.gz DAIYAFCSAMTSEB-TVQRCGJNSA-N -1 0 241.331 2.182 20 0 BEADRM CCC[C@H]1CCC[C@@H]1C(=O)N=c1cccn[n-]1 ZINC000410493640 191044340 /nfs/dbraw/zinc/04/43/40/191044340.db2.gz NQNFYFUACSCRLZ-QWRGUYRKSA-N -1 0 233.315 2.053 20 0 BEADRM CC[C@H](CC1CCCC1)C(=O)N(C)CC(=O)[O-] ZINC000236940447 191067363 /nfs/dbraw/zinc/06/73/63/191067363.db2.gz WHVBILHRWIDIGG-LLVKDONJSA-N -1 0 241.331 2.136 20 0 BEADRM Cc1cccc([C@H](C)[S@@](=O)[C@H](C)C(=O)[O-])c1 ZINC000309310210 350274528 /nfs/dbraw/zinc/27/45/28/350274528.db2.gz BSNGLPMZZWNSEH-YNHOBRIKSA-N -1 0 240.324 2.278 20 0 BEADRM CC(C)Nc1c(F)cc(C(=O)[O-])cc1F ZINC000063004053 350377609 /nfs/dbraw/zinc/37/76/09/350377609.db2.gz TZZQPFOMAQJXNS-UHFFFAOYSA-N -1 0 215.199 2.483 20 0 BEADRM CCCC[C@@H](C)C(=O)NCc1ncccc1O ZINC000337559290 350595395 /nfs/dbraw/zinc/59/53/95/350595395.db2.gz LQDWOKSDLJURDC-SNVBAGLBSA-N -1 0 236.315 2.230 20 0 BEADRM C[C@@H]1C[C@H]1c1n[n-]c(=NCc2ccccc2)o1 ZINC000630060180 362970247 /nfs/dbraw/zinc/97/02/47/362970247.db2.gz IYDYRCMPVGGGRU-MWLCHTKSSA-N -1 0 229.283 2.227 20 0 BEADRM 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CC[C@@H]1CCC[C@H]1N=c1[n-]c(COC)ns1 ZINC000336728486 351561329 /nfs/dbraw/zinc/56/13/29/351561329.db2.gz HEITURDMHPTVMO-RKDXNWHRSA-N -1 0 241.360 2.097 20 0 BEADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@H](C)C(=O)[O-])C1 ZINC000577750655 366053432 /nfs/dbraw/zinc/05/34/32/366053432.db2.gz QEDPQPVTYJXZJR-HBNTYKKESA-N -1 0 241.331 2.038 20 0 BEADRM CC[C@@H]1CCC[C@H]1N=c1[n-]nc(COC)s1 ZINC000336735684 351916956 /nfs/dbraw/zinc/91/69/56/351916956.db2.gz LWHSBVAZCSPWBT-RKDXNWHRSA-N -1 0 241.360 2.097 20 0 BEADRM Cc1ccc(C(=O)NC(C)(C)CCC(=O)[O-])cc1 ZINC000050194878 187609614 /nfs/dbraw/zinc/60/96/14/187609614.db2.gz FLRPNVBBYOVXSF-UHFFFAOYSA-N -1 0 249.310 2.368 20 0 BEADRM CC(C)c1nsc(SCCC(=O)[O-])n1 ZINC000083651479 352222256 /nfs/dbraw/zinc/22/22/56/352222256.db2.gz VSYVCVYGXFAADW-UHFFFAOYSA-N -1 0 232.330 2.228 20 0 BEADRM CC(C)[C@H](NC(=O)C1CCCCCC1)C(=O)[O-] ZINC000053713314 187707376 /nfs/dbraw/zinc/70/73/76/187707376.db2.gz HKYCVIMGBPNDHV-NSHDSACASA-N -1 0 241.331 2.182 20 0 BEADRM 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20 0 BEADRM CC[C@H](C)[C@H](C)C(=O)N(CCC(=O)[O-])C1CC1 ZINC000683304620 488146182 /nfs/dbraw/zinc/14/61/82/488146182.db2.gz OWTZBUOFNKGQOD-UWVGGRQHSA-N -1 0 241.331 2.134 20 0 BEADRM Cc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000085406911 488166462 /nfs/dbraw/zinc/16/64/62/488166462.db2.gz ZXKWBRQMTIDUQE-QWRGUYRKSA-N -1 0 247.294 2.290 20 0 BEADRM CC1(C)[C@H](C(=O)Nc2ccsc2)[C@@H]1C(=O)[O-] ZINC000085529151 488180214 /nfs/dbraw/zinc/18/02/14/488180214.db2.gz KXVOXEPGFJOGLV-JGVFFNPUSA-N -1 0 239.296 2.043 20 0 BEADRM CCC[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)[O-] ZINC000678975290 488300407 /nfs/dbraw/zinc/30/04/07/488300407.db2.gz TYWSXVDAJPRYRL-GHMZBOCLSA-N -1 0 241.331 2.326 20 0 BEADRM CCC[C@@H](C)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000679094491 488308398 /nfs/dbraw/zinc/30/83/98/488308398.db2.gz VXMSDMWWWGNKQS-SNVBAGLBSA-N -1 0 249.310 2.232 20 0 BEADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000679169654 488314626 /nfs/dbraw/zinc/31/46/26/488314626.db2.gz VCANWGFLFHBBSC-XVKPBYJWSA-N -1 0 233.267 2.189 20 0 BEADRM Cc1ccc(-n2[n-]c3c(c2=O)CCCCC3)nn1 ZINC000109522639 490162990 /nfs/dbraw/zinc/16/29/90/490162990.db2.gz IQVWCMMOLPZTQW-JTQLQIEISA-N -1 0 244.298 2.068 20 0 BEADRM O=C([O-])CCCCNc1ncnc2ccccc21 ZINC000070200412 490201824 /nfs/dbraw/zinc/20/18/24/490201824.db2.gz LCNQGKHTPFPQMP-UHFFFAOYSA-N -1 0 245.282 2.297 20 0 BEADRM CCC(C)(C)N(C)C(=O)N[C@H](C)CCC(=O)[O-] ZINC000070314389 490205818 /nfs/dbraw/zinc/20/58/18/490205818.db2.gz BVDSNMGBBYWIFO-SECBINFHSA-N -1 0 244.335 2.070 20 0 BEADRM CCCC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000071728169 490294995 /nfs/dbraw/zinc/29/49/95/490294995.db2.gz RJSFIMOBGKABFT-UHFFFAOYSA-N -1 0 249.310 2.290 20 0 BEADRM Cc1ccc(OCC(=O)[N-]OC2CCCC2)cc1 ZINC000074581343 490306338 /nfs/dbraw/zinc/30/63/38/490306338.db2.gz UBAFMYACXRNDHO-UHFFFAOYSA-N -1 0 249.310 2.364 20 0 BEADRM O=C([O-])c1ccc(N[C@H]2CC=CCC2)nc1 ZINC000084080363 490365075 /nfs/dbraw/zinc/36/50/75/490365075.db2.gz CZOGLACEMBMGGN-JTQLQIEISA-N -1 0 218.256 2.300 20 0 BEADRM CC[C@H](Sc1nnc(C(C)C)o1)C(=O)[O-] ZINC000382360823 491093833 /nfs/dbraw/zinc/09/38/33/491093833.db2.gz ODMLHKSMGJGHDL-LURJTMIESA-N -1 0 230.289 2.148 20 0 BEADRM CCC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000167127597 491102835 /nfs/dbraw/zinc/10/28/35/491102835.db2.gz MGBXMDQWBSLVMJ-JTQLQIEISA-N -1 0 233.267 2.002 20 0 BEADRM CC[C@@H](NC(=O)CC1CCCCCC1)C(=O)[O-] ZINC000134077175 491120666 /nfs/dbraw/zinc/12/06/66/491120666.db2.gz LCSIBMXQLTYVGD-LLVKDONJSA-N -1 0 241.331 2.326 20 0 BEADRM CCC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C(=O)[O-] ZINC000566067791 491124645 /nfs/dbraw/zinc/12/46/45/491124645.db2.gz CWJNFNQIXZHSQV-HBNTYKKESA-N -1 0 241.331 2.182 20 0 BEADRM CCc1ncc(CN(C)[C@@H](CC)C(=O)[O-])s1 ZINC000309535945 491150426 /nfs/dbraw/zinc/15/04/26/491150426.db2.gz CSCPZECYHDIURS-VIFPVBQESA-N -1 0 242.344 2.001 20 0 BEADRM CC[C@@H](C)[C@@H](C)C(=O)NCCCCC(=O)[O-] ZINC000261590936 535636455 /nfs/dbraw/zinc/63/64/55/535636455.db2.gz UWLXBXNGYUFVSP-NXEZZACHSA-N -1 0 229.320 2.040 20 0 BEADRM O=C([O-])Cc1ccc(NC(=O)/C=C\C2CC2)cc1 ZINC000492530676 534505863 /nfs/dbraw/zinc/50/58/63/534505863.db2.gz GMXXINAJXDJKHR-YVMONPNESA-N -1 0 245.278 2.218 20 0 BEADRM C/C=C/C[C@H](NC(=O)/C=C/C(C)(C)C)C(=O)[O-] ZINC000493632900 526293492 /nfs/dbraw/zinc/29/34/92/526293492.db2.gz WOTMMJBCPDYBMI-DSBNRCMJSA-N -1 0 239.315 2.124 20 0 BEADRM CC(C)C[C@@H](NC(=O)/C=C\C(C)(C)C)C(=O)[O-] ZINC000492143715 528349523 /nfs/dbraw/zinc/34/95/23/528349523.db2.gz YHRHYADSHOFIKU-JYESYGNLSA-N -1 0 241.331 2.204 20 0 BEADRM CCC(CC)(CNc1cncc(C)n1)C(=O)[O-] ZINC000424377242 528697124 /nfs/dbraw/zinc/69/71/24/528697124.db2.gz QUCYPJJENXJDQV-UHFFFAOYSA-N -1 0 237.303 2.088 20 0 BEADRM CCC(CC)(NC(=O)/C=C/C(C)(C)C)C(=O)[O-] ZINC000493769466 528708850 /nfs/dbraw/zinc/70/88/50/528708850.db2.gz GMRCCICKOGSLGG-CMDGGOBGSA-N -1 0 241.331 2.348 20 0 BEADRM CC[C@](C)(NC(=O)/C=C\C1CCCC1)C(=O)[O-] ZINC000493271968 529366205 /nfs/dbraw/zinc/36/62/05/529366205.db2.gz ZQQGXRWYAZMRNB-YXVBKTCISA-N -1 0 239.315 2.102 20 0 BEADRM CCCC[C@H](C)C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000262739395 534962825 /nfs/dbraw/zinc/96/28/25/534962825.db2.gz AAZHNYUKWSYDIH-UWVGGRQHSA-N -1 0 241.331 2.277 20 0 BEADRM CCC(CC)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263498223 535005285 /nfs/dbraw/zinc/00/52/85/535005285.db2.gz KDGOSOOBGKGRAT-KOLCDFICSA-N -1 0 241.331 2.134 20 0 BEADRM CCC(CC)CC(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000262918687 535010627 /nfs/dbraw/zinc/01/06/27/535010627.db2.gz IHYNXBVMNYNKDE-NSHDSACASA-N -1 0 241.331 2.182 20 0 BEADRM CC(C)(CCNC(=O)C1(C)CCCC1)C(=O)[O-] ZINC000261543948 535029734 /nfs/dbraw/zinc/02/97/34/535029734.db2.gz DHYVHXQMBZFXAN-UHFFFAOYSA-N -1 0 241.331 2.184 20 0 BEADRM CCC(CC)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262997479 535076822 /nfs/dbraw/zinc/07/68/22/535076822.db2.gz WNXWGMNBXVBZFN-MGCOHNPYSA-N -1 0 241.331 2.182 20 0 BEADRM CCC(CC)[C@@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000263306569 535096664 /nfs/dbraw/zinc/09/66/64/535096664.db2.gz FHLNVFLWKGGTOW-MWLCHTKSSA-N -1 0 243.347 2.284 20 0 BEADRM CC1=C(C(=O)NC2(C(=O)[O-])CCCC2)CCC1 ZINC000262113890 535221510 /nfs/dbraw/zinc/22/15/10/535221510.db2.gz KJQNUHQRILJRQF-UHFFFAOYSA-N -1 0 237.299 2.000 20 0 BEADRM CC(C)CC(C)(C)C(=O)NCC1(C(=O)[O-])CC1 ZINC000263493240 535382074 /nfs/dbraw/zinc/38/20/74/535382074.db2.gz XIJDFMODRWHBNL-UHFFFAOYSA-N -1 0 241.331 2.040 20 0 BEADRM CCC[C@H](C(=O)NCCCCC(=O)[O-])C(C)C ZINC000263131822 535582987 /nfs/dbraw/zinc/58/29/87/535582987.db2.gz LRAYNOKRBHWFLO-NSHDSACASA-N -1 0 243.347 2.430 20 0 BEADRM CCC[C@H](C)CC(=O)N(C)C(C)(C)C(=O)[O-] ZINC000261577605 535599537 /nfs/dbraw/zinc/59/95/37/535599537.db2.gz LEDBLWDDYCFHJM-VIFPVBQESA-N -1 0 229.320 2.134 20 0 BEADRM CC[C@H](NC(=O)[C@@H]1CCCC(C)(C)C1)C(=O)[O-] ZINC000263047990 535830559 /nfs/dbraw/zinc/83/05/59/535830559.db2.gz FDJPTUJCBYMVQP-ZJUUUORDSA-N -1 0 241.331 2.182 20 0 BEADRM CC[C@H](C)CC(=O)N[C@@](C)(CC(=O)[O-])C(C)C ZINC000263546849 536118906 /nfs/dbraw/zinc/11/89/06/536118906.db2.gz UMNQBTQFBBKDSA-GWCFXTLKSA-N -1 0 243.347 2.428 20 0 BEADRM CCc1cc(NC(=O)[C@@H](C)C(=O)[O-])ccc1C ZINC000261553626 536152420 /nfs/dbraw/zinc/15/24/20/536152420.db2.gz OGGBPUDOSYNQGC-SECBINFHSA-N -1 0 235.283 2.217 20 0 BEADRM CC(C)(C)CCCCNC(=O)C1(C(=O)[O-])CC1 ZINC000118965240 566352847 /nfs/dbraw/zinc/35/28/47/566352847.db2.gz SAIXBDGFZVBVTL-UHFFFAOYSA-N -1 0 241.331 2.184 20 0 BEADRM CCC[C@@H](OCC)C(=O)[N-]OC1CCCC1 ZINC000860601021 589108763 /nfs/dbraw/zinc/10/87/63/589108763.db2.gz DPBQJLCZCUTGRT-LLVKDONJSA-N -1 0 229.320 2.182 20 0 BEADRM CCCC[C@](C)(F)C(=O)N(C)[C@@H](CC)C(=O)[O-] ZINC000852953193 588714530 /nfs/dbraw/zinc/71/45/30/588714530.db2.gz GJZCFSNFIFIGKM-CABZTGNLSA-N -1 0 247.310 2.226 20 0 BEADRM O=C([N-]Oc1ccccc1)C1(CCF)CC1 ZINC000854535510 588790985 /nfs/dbraw/zinc/79/09/85/588790985.db2.gz AFYGTBMNHWMQLJ-UHFFFAOYSA-N -1 0 223.247 2.236 20 0 BEADRM O=C([N-]Oc1ccccc1)[C@@H]1CCCCS1 ZINC000854537076 588791680 /nfs/dbraw/zinc/79/16/80/588791680.db2.gz ONALXBUMBBKQBC-NSHDSACASA-N -1 0 237.324 2.382 20 0 BEADRM CC[C@@H](C)CO[N-]C(=O)[C@@H](OC)C1CCCC1 ZINC000854601626 588796209 /nfs/dbraw/zinc/79/62/09/588796209.db2.gz BCTLDACZDWDFLO-PWSUYJOCSA-N -1 0 243.347 2.286 20 0 BEADRM CCCC[C@@](C)(F)C(=O)[N-]OCC1CC1 ZINC000854638520 588798535 /nfs/dbraw/zinc/79/85/35/588798535.db2.gz FMESNFTUCILWFM-LLVKDONJSA-N -1 0 217.284 2.363 20 0 BEADRM CO[C@@H](C(=O)[N-]OC(C)C)C1CCCCC1 ZINC000854752557 588805461 /nfs/dbraw/zinc/80/54/61/588805461.db2.gz FFGZPMHCLQHDJK-LLVKDONJSA-N -1 0 229.320 2.038 20 0 BEADRM CCCO[N-]C(=O)COC/C=C\c1ccccc1 ZINC000844085766 582569543 /nfs/dbraw/zinc/56/95/43/582569543.db2.gz KHEMIQQDZCXTFB-TWGQIWQCSA-N -1 0 249.310 2.174 20 0 BEADRM CCCO[N-]C(=O)[C@@H](CCC)c1ccccn1 ZINC000844088188 582570307 /nfs/dbraw/zinc/57/03/07/582570307.db2.gz MKRALZDIKBHAJO-NSHDSACASA-N -1 0 236.315 2.423 20 0 BEADRM COC1(C(=O)[N-]OCC2CCC2)CCCCC1 ZINC000856350967 588867783 /nfs/dbraw/zinc/86/77/83/588867783.db2.gz YHWVGTFMCWDZFH-UHFFFAOYSA-N -1 0 241.331 2.184 20 0 BEADRM C[C@@H](OC(=O)c1cccc2ccccc21)C(=O)[O-] ZINC000114421105 588874688 /nfs/dbraw/zinc/87/46/88/588874688.db2.gz YZPDEITVZIDXHV-SECBINFHSA-N -1 0 244.246 2.470 20 0 BEADRM CCc1ccc(CC(=O)[N-]OCC2CCC2)nc1 ZINC000856345505 588868656 /nfs/dbraw/zinc/86/86/56/588868656.db2.gz ZRQGVHLDWUAOGT-UHFFFAOYSA-N -1 0 248.326 2.034 20 0 BEADRM CC(C)CCO[C@H](C)C(=O)[N-]OCC1CCC1 ZINC000856346542 588868771 /nfs/dbraw/zinc/86/87/71/588868771.db2.gz DVCWJKVRVUNAKB-LLVKDONJSA-N -1 0 243.347 2.286 20 0 BEADRM O=C([N-]OCC1CCC1)[C@@H]1CCCCS1 ZINC000856350038 588869726 /nfs/dbraw/zinc/86/97/26/588869726.db2.gz PNXLIPPSEATRRS-JTQLQIEISA-N -1 0 229.345 2.120 20 0 BEADRM O=C([N-]OCC1CCC1)C1(F)CCCC1 ZINC000856350965 588869787 /nfs/dbraw/zinc/86/97/87/588869787.db2.gz YHGFWWITASELBO-UHFFFAOYSA-N -1 0 215.268 2.117 20 0 BEADRM CCN(Cc1csc(Cl)n1)[C@@H](C)C(=O)[O-] ZINC000857084450 588886341 /nfs/dbraw/zinc/88/63/41/588886341.db2.gz STOSOPBHYSHIES-LURJTMIESA-N -1 0 248.735 2.092 20 0 BEADRM Cc1ccc(C(=O)OCCCC(=O)[O-])cc1C ZINC000738258758 583348998 /nfs/dbraw/zinc/34/89/98/583348998.db2.gz SMCOMRZIFYHWQD-UHFFFAOYSA-N -1 0 236.267 2.325 20 0 BEADRM Cc1ccccc1COCC(=O)[N-]OC1CCC1 ZINC000857262398 588901805 /nfs/dbraw/zinc/90/18/05/588901805.db2.gz JBDPPJQWPCYBRT-UHFFFAOYSA-N -1 0 249.310 2.112 20 0 BEADRM COCC1(C(=O)[N-]OC(C)C)CCCCC1 ZINC000857277107 588902356 /nfs/dbraw/zinc/90/23/56/588902356.db2.gz LFCQBQWHSZJXJB-UHFFFAOYSA-N -1 0 229.320 2.040 20 0 BEADRM CCCO[N-]C(=O)C1(COC)CCCCC1 ZINC000857294553 588904660 /nfs/dbraw/zinc/90/46/60/588904660.db2.gz IJZDUFAFOSWMPB-UHFFFAOYSA-N -1 0 229.320 2.041 20 0 BEADRM C[C@@H](OC(=O)C[C@H](C)c1ccccc1)C(=O)[O-] ZINC000737701956 583588417 /nfs/dbraw/zinc/58/84/17/583588417.db2.gz BHVOMONIBNJUDK-VHSXEESVSA-N -1 0 236.267 2.197 20 0 BEADRM CSCCO[N-]C(=O)C(F)=C1CCCC1 ZINC000794195852 583595262 /nfs/dbraw/zinc/59/52/62/583595262.db2.gz QYPLSKJDSYMDFW-UHFFFAOYSA-N -1 0 233.308 2.195 20 0 BEADRM CCCC(CCC)C(=O)NCC(C)(C)C(=O)[O-] ZINC000211791951 583633253 /nfs/dbraw/zinc/63/32/53/583633253.db2.gz GCPZFGVGADWRTK-UHFFFAOYSA-N -1 0 243.347 2.430 20 0 BEADRM CC[C@@H](CNC(=O)[C@H](C)c1ccccc1)C(=O)[O-] ZINC000233869903 583925610 /nfs/dbraw/zinc/92/56/10/583925610.db2.gz ATSZZLBJVHKLHE-MNOVXSKESA-N -1 0 249.310 2.017 20 0 BEADRM CC[C@@H](CNC(=O)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000233869047 583925645 /nfs/dbraw/zinc/92/56/45/583925645.db2.gz ATSZZLBJVHKLHE-QWRGUYRKSA-N -1 0 249.310 2.017 20 0 BEADRM CSCCCCC(=O)O[C@@H](C(=O)[O-])C(C)C ZINC000738191208 584124682 /nfs/dbraw/zinc/12/46/82/584124682.db2.gz RRCFTAVJZHJSTL-SNVBAGLBSA-N -1 0 248.344 2.172 20 0 BEADRM CC[C@](C)(OC)C(=O)[N-]Oc1ccc(F)cc1 ZINC000898574033 584142815 /nfs/dbraw/zinc/14/28/15/584142815.db2.gz DVIRUYDLWPOBNL-LBPRGKRZSA-N -1 0 241.262 2.051 20 0 BEADRM C[C@]1(C(=O)[N-]Oc2ccc(F)cc2)CC1(F)F ZINC000898576810 584143671 /nfs/dbraw/zinc/14/36/71/584143671.db2.gz SQEVJHZYTMEGTI-SNVBAGLBSA-N -1 0 245.200 2.281 20 0 BEADRM CO[C@H](C)c1cc(=O)n(-c2cc(C)ccc2C)[n-]1 ZINC000899346060 584198174 /nfs/dbraw/zinc/19/81/74/584198174.db2.gz AALYXTPFRRWBOZ-LLVKDONJSA-N -1 0 246.310 2.431 20 0 BEADRM CO[C@@H](C)c1cc(=O)n(-c2cc(C)cc(C)c2)[n-]1 ZINC000899346383 584198852 /nfs/dbraw/zinc/19/88/52/584198852.db2.gz LSLSAYBQZUBYMY-NSHDSACASA-N -1 0 246.310 2.431 20 0 BEADRM CO[C@H](C)c1cc(=O)n(CC2(C)CCCC2)[n-]1 ZINC000899356488 584201074 /nfs/dbraw/zinc/20/10/74/584201074.db2.gz KCARHGMFEKPRSM-SNVBAGLBSA-N -1 0 238.331 2.190 20 0 BEADRM CO[C@@H](C)c1cc(=O)n(C2CCC(C)CC2)[n-]1 ZINC000899349616 584203404 /nfs/dbraw/zinc/20/34/04/584203404.db2.gz HRERMZVMYOEXBQ-YVNMAJEFSA-N -1 0 238.331 2.188 20 0 BEADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N(C)CC(C)C ZINC000899805156 584238338 /nfs/dbraw/zinc/23/83/38/584238338.db2.gz AJCMPRAZFNYRLA-LLVKDONJSA-N -1 0 243.347 2.238 20 0 BEADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N1CCCCC1 ZINC000899811995 584239004 /nfs/dbraw/zinc/23/90/04/584239004.db2.gz LVJLONCLQZGQHC-LLVKDONJSA-N -1 0 241.331 2.136 20 0 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ZINC000826641795 587357519 /nfs/dbraw/zinc/35/75/19/587357519.db2.gz HYWCRKJVRIAQAQ-UHFFFAOYSA-N -1 0 236.271 2.018 20 0 BEADRM CCC1(C(=O)OC[C@@H](C)NC(=O)[O-])CCCC1 ZINC000826643952 587357669 /nfs/dbraw/zinc/35/76/69/587357669.db2.gz DOHUNPXAGFFBCH-SECBINFHSA-N -1 0 243.303 2.156 20 0 BEADRM CCC[C@@H](C)OC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000826735040 587360690 /nfs/dbraw/zinc/36/06/90/587360690.db2.gz LVKVITGZONRSSU-NXEZZACHSA-N -1 0 243.303 2.251 20 0 BEADRM CCCCC(=O)O[C@H]1CC[C@H](NC(=O)[O-])CC1 ZINC000826774290 587361943 /nfs/dbraw/zinc/36/19/43/587361943.db2.gz FILOXUKRKXJAQT-MGCOHNPYSA-N -1 0 243.303 2.299 20 0 BEADRM CC(C)C[C@@H](OC(=O)C[C@H]1C=CCC1)C(=O)[O-] ZINC000826812676 587362993 /nfs/dbraw/zinc/36/29/93/587362993.db2.gz LPZXXTVLOYSDEB-WDEREUQCSA-N -1 0 240.299 2.385 20 0 BEADRM CCCCCOC(=O)CC1(NC(=O)[O-])CCC1 ZINC000826826609 587363485 /nfs/dbraw/zinc/36/34/85/587363485.db2.gz UJLSLRBWMMGXAG-UHFFFAOYSA-N -1 0 243.303 2.300 20 0 BEADRM CCCCCOC(=O)C(C)(C)CNC(=O)[O-] 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ZINC000827256141 587374193 /nfs/dbraw/zinc/37/41/93/587374193.db2.gz HZLJOCRXVICPHR-JTQLQIEISA-N -1 0 241.331 2.136 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC000827274024 587375043 /nfs/dbraw/zinc/37/50/43/587375043.db2.gz VNBNLUGWOIIQTJ-LPEHRKFASA-N -1 0 241.331 2.038 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)NCCC1=CCCCC1 ZINC000827293115 587375843 /nfs/dbraw/zinc/37/58/43/587375843.db2.gz VHKZCPNFNOZYSR-SNVBAGLBSA-N -1 0 239.315 2.104 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)OCC1CCCCC1 ZINC000827341556 587377786 /nfs/dbraw/zinc/37/77/86/587377786.db2.gz HOJIFQPHYDKHMP-SECBINFHSA-N -1 0 228.288 2.221 20 0 BEADRM CCO[C@@H]1C[C@@H](NC(=O)[O-])C12CCCCC2 ZINC000827381693 587379180 /nfs/dbraw/zinc/37/91/80/587379180.db2.gz UCYVUPWCYGLWFR-NXEZZACHSA-N -1 0 227.304 2.382 20 0 BEADRM CCS[C@@H]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000827495861 587383285 /nfs/dbraw/zinc/38/32/85/587383285.db2.gz OCOWCOXSVQBVNF-JGVFFNPUSA-N -1 0 203.307 2.270 20 0 BEADRM C[C@H](CO)S[C@@H](C(=O)[O-])c1ccccc1F ZINC000827517875 587384015 /nfs/dbraw/zinc/38/40/15/587384015.db2.gz VLPQXXXGDKIVNP-GMSGAONNSA-N -1 0 244.287 2.065 20 0 BEADRM CC[C@H](NC(=O)[O-])c1nc(C2CCCC2)no1 ZINC000827551555 587387573 /nfs/dbraw/zinc/38/75/73/587387573.db2.gz PYFJKUDUQGGQKC-QMMMGPOBSA-N -1 0 239.275 2.446 20 0 BEADRM CCc1csc(NCC[C@@H](C)NC(=O)[O-])n1 ZINC000827620089 587392891 /nfs/dbraw/zinc/39/28/91/587392891.db2.gz FAHFSLRANBFKHQ-SSDOTTSWSA-N -1 0 243.332 2.164 20 0 BEADRM C[C@@H](OC(=O)C1CCC(C)(C)CC1)C(=O)[O-] ZINC000827818633 587404205 /nfs/dbraw/zinc/40/42/05/587404205.db2.gz VACRWNIUIYKTBQ-MRVPVSSYSA-N -1 0 228.288 2.219 20 0 BEADRM C[C@H](OC(=O)c1cc[nH]c1)c1ccc(C(=O)[O-])o1 ZINC000827854298 587405864 /nfs/dbraw/zinc/40/58/64/587405864.db2.gz UZHLBGJQSOMZAN-ZETCQYMHSA-N -1 0 249.222 2.224 20 0 BEADRM CCC[C@@H](C(=O)NC(C)(C)CC(=O)[O-])C(C)C ZINC000828095015 587419198 /nfs/dbraw/zinc/41/91/98/587419198.db2.gz HYJNJRFMSBCMFE-SNVBAGLBSA-N -1 0 243.347 2.428 20 0 BEADRM C[C@@H]1CC[C@@H](CC(=O)N(C)C(C)(C)C(=O)[O-])C1 ZINC000828221404 587424822 /nfs/dbraw/zinc/42/48/22/587424822.db2.gz OKPZWMHHSKXABE-NXEZZACHSA-N -1 0 241.331 2.134 20 0 BEADRM CN(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)[O-] ZINC000828230509 587426155 /nfs/dbraw/zinc/42/61/55/587426155.db2.gz QJRMOCMZUNOERJ-ZDUSSCGKSA-N -1 0 248.326 2.261 20 0 BEADRM CC(C)[C@@H](OC(=O)[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000828233172 587426613 /nfs/dbraw/zinc/42/66/13/587426613.db2.gz LLMSEKOBINAVRC-GMTAPVOTSA-N -1 0 242.315 2.465 20 0 BEADRM C/C=C(\C)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000828535262 587448481 /nfs/dbraw/zinc/44/84/81/587448481.db2.gz ZOPYXRINQBCKQT-ZZXKWVIFSA-N -1 0 225.269 2.351 20 0 BEADRM C/C=C(/C)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000828534853 587448829 /nfs/dbraw/zinc/44/88/29/587448829.db2.gz QTVILUGHXMMEPB-QSADENFPSA-N -1 0 234.251 2.322 20 0 BEADRM C/C=C(/C=C/C(=O)OC/C=C(\C)C(=O)[O-])CC ZINC000828543171 587449672 /nfs/dbraw/zinc/44/96/72/587449672.db2.gz RLLXFHZSHOUVNL-WFJAALSZSA-N -1 0 238.283 2.473 20 0 BEADRM C/C=C/C=C\C(=O)NC(CC)(CC)CC(=O)[O-] ZINC000828542186 587449865 /nfs/dbraw/zinc/44/98/65/587449865.db2.gz JKEPMFUZPCWRIT-KNOZVELGSA-N -1 0 239.315 2.268 20 0 BEADRM CCC(=CC(=O)OC/C=C(/C)C(=O)[O-])CC ZINC000828549762 587450220 /nfs/dbraw/zinc/45/02/20/587450220.db2.gz PQDVWKQXTXCYIX-TWGQIWQCSA-N -1 0 226.272 2.307 20 0 BEADRM CCC(=CC(=O)NC(CC)(CC)C(=O)[O-])CC ZINC000828548807 587450267 /nfs/dbraw/zinc/45/02/67/587450267.db2.gz FHMOGUHSPAXBKJ-UHFFFAOYSA-N -1 0 241.331 2.492 20 0 BEADRM CCC(C)(C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000828603538 587452842 /nfs/dbraw/zinc/45/28/42/587452842.db2.gz LJQFJBNTUGEZOB-UHFFFAOYSA-N -1 0 238.287 2.098 20 0 BEADRM CCC(C)(C)COC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000828609730 587453480 /nfs/dbraw/zinc/45/34/80/587453480.db2.gz WMXTYBXIUNCWBR-SECBINFHSA-N -1 0 245.319 2.258 20 0 BEADRM CCC(C)(C)COC(=O)[C@H](C)CC(=O)[O-] ZINC000828609750 587453576 /nfs/dbraw/zinc/45/35/76/587453576.db2.gz XJLCNQUXLUSDAY-MRVPVSSYSA-N -1 0 216.277 2.077 20 0 BEADRM CC[C@@](C)(NC/C=C(\C)C(=O)[O-])C(F)(F)F ZINC000828693768 587457602 /nfs/dbraw/zinc/45/76/02/587457602.db2.gz ZVWXAYBAFHLXHO-VPIOIWJLSA-N -1 0 239.237 2.338 20 0 BEADRM CCC(CC)(CC)C(=O)OCCNC(=O)[O-] ZINC000828810798 587463232 /nfs/dbraw/zinc/46/32/32/587463232.db2.gz RNNXVAZQFBRSCU-UHFFFAOYSA-N -1 0 231.292 2.014 20 0 BEADRM CCC(CC)CC(=O)O[C@H](C(=O)[O-])C(C)C ZINC000828859253 587466892 /nfs/dbraw/zinc/46/68/92/587466892.db2.gz XJCGEHKYWNQHQB-NSHDSACASA-N -1 0 230.304 2.465 20 0 BEADRM CCC(CC)C(=O)O[C@H](C(=O)[O-])C(C)C ZINC000828854861 587466920 /nfs/dbraw/zinc/46/69/20/587466920.db2.gz XDIMRFDDKJZTFX-VIFPVBQESA-N -1 0 216.277 2.075 20 0 BEADRM CCC(CC)OC(=O)CCCN(C)C(=O)[O-] ZINC000828863000 587467283 /nfs/dbraw/zinc/46/72/83/587467283.db2.gz RLUGFWUCSUNQRU-UHFFFAOYSA-N -1 0 231.292 2.108 20 0 BEADRM CC[C@@H](SCC(=O)C(C)(C)C)C(=O)[O-] ZINC000829021555 587478492 /nfs/dbraw/zinc/47/84/92/587478492.db2.gz VCFACYRTZJXDLS-SSDOTTSWSA-N -1 0 218.318 2.198 20 0 BEADRM CCC1(CNC(=O)[C@H](C)CC(=O)[O-])CCCC1 ZINC000829060809 587481401 /nfs/dbraw/zinc/48/14/01/587481401.db2.gz GXRKIUDQIYZKPO-SNVBAGLBSA-N -1 0 241.331 2.184 20 0 BEADRM CCC1CCC(NC(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000829080472 587482575 /nfs/dbraw/zinc/48/25/75/587482575.db2.gz FHFKMQJVDICYST-KPPDAEKUSA-N -1 0 241.331 2.182 20 0 BEADRM CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)CC(=O)[O-] ZINC000829118172 587483343 /nfs/dbraw/zinc/48/33/43/587483343.db2.gz DUAUMXWVPDWRQR-MXWKQRLJSA-N -1 0 241.331 2.182 20 0 BEADRM CC[C@H]1CCCCCN1C(=O)[C@H](C)CC(=O)[O-] ZINC000829119195 587483357 /nfs/dbraw/zinc/48/33/57/587483357.db2.gz NWKATZUSEUKERB-MNOVXSKESA-N -1 0 241.331 2.278 20 0 BEADRM CC[C@@H]1CCCN(C(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000829125642 587483870 /nfs/dbraw/zinc/48/38/70/587483870.db2.gz PAFFBWHAHOSKRF-GHMZBOCLSA-N -1 0 241.331 2.136 20 0 BEADRM CC[C@H]1CCCN(C(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000829125643 587483911 /nfs/dbraw/zinc/48/39/11/587483911.db2.gz PAFFBWHAHOSKRF-MNOVXSKESA-N -1 0 241.331 2.136 20 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247.298 2.167 20 0 BEADRM C/C=C/C=C\C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000148533089 959010224 /nfs/dbraw/zinc/01/02/24/959010224.db2.gz VSXAQZXDLYNMEL-IAROGAJJSA-N -1 0 232.235 2.423 20 0 BEADRM CC(C)N(C(=O)[C@H](C)C(=O)[O-])C1CCCCC1 ZINC001588561960 959103081 /nfs/dbraw/zinc/10/30/81/959103081.db2.gz BEWZVMSYZUHNOX-JTQLQIEISA-N -1 0 241.331 2.277 20 0 BEADRM C[C@H]1C[C@@H]1CNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000159700113 959126563 /nfs/dbraw/zinc/12/65/63/959126563.db2.gz XMWHYSPCRZZWSK-WCBMZHEXSA-N -1 0 248.282 2.162 20 0 BEADRM C[C@H]1C[C@@H]1CNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000159685675 959126730 /nfs/dbraw/zinc/12/67/30/959126730.db2.gz XPZMTFGRJCFLHU-WCBMZHEXSA-N -1 0 248.282 2.162 20 0 BEADRM CC(C)(C(=O)[O-])c1csc(NC2CCC2)n1 ZINC000159772769 959128688 /nfs/dbraw/zinc/12/86/88/959128688.db2.gz MYHQBGOWAQSWEM-UHFFFAOYSA-N -1 0 240.328 2.470 20 0 BEADRM CCC(F)(F)CN(C)[C@H](CC(C)C)C(=O)[O-] ZINC000692385580 959157148 /nfs/dbraw/zinc/15/71/48/959157148.db2.gz VDBSZRQAHNYECE-SECBINFHSA-N -1 0 237.290 2.463 20 0 BEADRM C[C@H](CO)COc1ccc(C(=O)[O-])cc1Cl ZINC000161791717 959194404 /nfs/dbraw/zinc/19/44/04/959194404.db2.gz WUFFYNZVBKICLY-SSDOTTSWSA-N -1 0 244.674 2.045 20 0 BEADRM C[C@@H](CSC[C@@H]1CCC(C)(C)O1)C(=O)[O-] ZINC000166047434 959298779 /nfs/dbraw/zinc/29/87/79/959298779.db2.gz BTRONYWBMGZEBL-IUCAKERBSA-N -1 0 232.345 2.398 20 0 BEADRM C[C@@H]1C[C@H](C)[C@H](C)N(c2ncc(C(=O)[O-])cn2)C1 ZINC000166979364 959328435 /nfs/dbraw/zinc/32/84/35/959328435.db2.gz FXZFRIIRCKTTTN-UTLUCORTSA-N -1 0 249.314 2.046 20 0 BEADRM O=C([O-])/C=C\c1cnc(/C=C/c2cocn2)s1 ZINC000588578579 959336800 /nfs/dbraw/zinc/33/68/00/959336800.db2.gz DRBFBXYNBQKUDM-TZFCGSKZSA-N -1 0 248.263 2.399 20 0 BEADRM Cc1ccc(Nc2cnoc2)cc1C(=O)[O-] ZINC001211593989 959360328 /nfs/dbraw/zinc/36/03/28/959360328.db2.gz HOSWTMPDIGPAEN-UHFFFAOYSA-N -1 0 218.212 2.425 20 0 BEADRM Cc1ccc(Nc2ncccc2N)cc1C(=O)[O-] ZINC001211593955 959360454 /nfs/dbraw/zinc/36/04/54/959360454.db2.gz GKYJLLJYFFWLAV-UHFFFAOYSA-N -1 0 243.266 2.414 20 0 BEADRM CC1(NC(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000168217054 959372509 /nfs/dbraw/zinc/37/25/09/959372509.db2.gz IHQCWWXDSORVOP-UHFFFAOYSA-N -1 0 234.255 2.059 20 0 BEADRM Cc1ccc(-n2cccc2N)cc1C(=O)[O-] ZINC001211599646 959385517 /nfs/dbraw/zinc/38/55/17/959385517.db2.gz RKFZKCLQZQJYLU-UHFFFAOYSA-N -1 0 216.240 2.066 20 0 BEADRM Cc1cc(C(=O)[O-])ccc1Nc1ncco1 ZINC001211616577 959545700 /nfs/dbraw/zinc/54/57/00/959545700.db2.gz PDKQOGYKVRVIEI-UHFFFAOYSA-N -1 0 218.212 2.425 20 0 BEADRM C[C@H](O)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000199729103 959633642 /nfs/dbraw/zinc/63/36/42/959633642.db2.gz PRMXIXBICQBMBD-JTQLQIEISA-N -1 0 238.283 2.374 20 0 BEADRM CCCCOC(=O)c1cccc(CC(=O)[O-])c1 ZINC000204540403 959655843 /nfs/dbraw/zinc/65/58/43/959655843.db2.gz JJVRQJWRFQBDDM-UHFFFAOYSA-N -1 0 236.267 2.271 20 0 BEADRM C/C=C/C=C\C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000208495896 959669223 /nfs/dbraw/zinc/66/92/23/959669223.db2.gz HESBALGBYOWIRN-STMOGGTPSA-N -1 0 245.278 2.480 20 0 BEADRM C/C(=C\CN(C)c1ccccc1C)C(=O)[O-] ZINC000214561617 959733927 /nfs/dbraw/zinc/73/39/27/959733927.db2.gz UKVGIDGUWHURAV-DHZHZOJOSA-N -1 0 219.284 2.462 20 0 BEADRM O=C([O-])C1(COc2cccc(F)c2)CC1 ZINC000215034208 959746661 /nfs/dbraw/zinc/74/66/61/959746661.db2.gz BQSRGRHXRPPUCX-UHFFFAOYSA-N -1 0 210.204 2.069 20 0 BEADRM O=C([O-])C1(CSc2cccc(O)c2)CC1 ZINC000216319439 959765378 /nfs/dbraw/zinc/76/53/78/959765378.db2.gz GJCCVWYTOBOIDS-UHFFFAOYSA-N -1 0 224.281 2.349 20 0 BEADRM O=C([O-])CCCCn1cnc(Cl)c1Cl ZINC000220678404 959802845 /nfs/dbraw/zinc/80/28/45/959802845.db2.gz ZUDQXQCUWDPAQZ-UHFFFAOYSA-N -1 0 237.086 2.445 20 0 BEADRM Cc1nc(N[C@@H]2CCC[C@@H]3C[C@@H]32)ncc1C(=O)[O-] ZINC000694322521 959827381 /nfs/dbraw/zinc/82/73/81/959827381.db2.gz FKRATGBTUFURQU-WCABBAIRSA-N -1 0 247.298 2.084 20 0 BEADRM O=C([O-])CC1(CS[C@@H]2CCCOC2)CC1 ZINC000224779445 959855813 /nfs/dbraw/zinc/85/58/13/959855813.db2.gz CQOWDTRGKCYUGZ-SECBINFHSA-N -1 0 230.329 2.154 20 0 BEADRM COc1cc(NC(=O)C=C(C)C)ccc1C(=O)[O-] ZINC000227174722 959926782 /nfs/dbraw/zinc/92/67/82/959926782.db2.gz WDZWNXDVDZPVLG-UHFFFAOYSA-N -1 0 249.266 2.298 20 0 BEADRM C[C@H](Cn1cccn1)Nc1cccc(C(=O)[O-])c1 ZINC000227670874 959965627 /nfs/dbraw/zinc/96/56/27/959965627.db2.gz NVUQIOWIFMBITP-SNVBAGLBSA-N -1 0 245.282 2.082 20 0 BEADRM Cc1cncc(CSC[C@H](C)C(=O)[O-])c1 ZINC000228672952 960038183 /nfs/dbraw/zinc/03/81/83/960038183.db2.gz TXOKRKRHBBNILK-VIFPVBQESA-N -1 0 225.313 2.344 20 0 BEADRM Cc1c(Nc2ccc(C(=O)[O-])c(C)c2)cnn1C ZINC001211648017 960094478 /nfs/dbraw/zinc/09/44/78/960094478.db2.gz QPXSUCLNBQEGGD-UHFFFAOYSA-N -1 0 245.282 2.479 20 0 BEADRM C[C@@H]1C[C@@H](Nc2cccc(C(=O)[O-])c2)[C@@H](C)O1 ZINC000385259607 960095342 /nfs/dbraw/zinc/09/53/42/960095342.db2.gz WXCFZCQLVAYMDV-KBVBSXBZSA-N -1 0 235.283 2.363 20 0 BEADRM Cc1ccc(F)cc1Oc1nccnc1C(=O)[O-] ZINC000230668869 960155449 /nfs/dbraw/zinc/15/54/49/960155449.db2.gz FJCODTCNZFMQGO-UHFFFAOYSA-N -1 0 248.213 2.415 20 0 BEADRM Cc1cc(C(=O)[O-])nc(NCC2CCCC2)n1 ZINC000231947366 960217868 /nfs/dbraw/zinc/21/78/68/960217868.db2.gz ZCFVHYACPKLILL-UHFFFAOYSA-N -1 0 235.287 2.085 20 0 BEADRM Cc1cc(C(=O)[O-])nc(N(C)CC2CCCC2)n1 ZINC000231951414 960226802 /nfs/dbraw/zinc/22/68/02/960226802.db2.gz WEOPGNDQQRBVOU-UHFFFAOYSA-N -1 0 249.314 2.110 20 0 BEADRM O=C([O-])c1ccnc(NCC(C2CC2)C2CC2)n1 ZINC000231952451 960228311 /nfs/dbraw/zinc/22/83/11/960228311.db2.gz UIWPXGCNOWPCNO-UHFFFAOYSA-N -1 0 247.298 2.023 20 0 BEADRM Cc1cc(C(=O)[O-])nc(N2CCC[C@@H]2C(C)C)n1 ZINC000231952507 960228691 /nfs/dbraw/zinc/22/86/91/960228691.db2.gz KKRWGWGWCGPUEY-LLVKDONJSA-N -1 0 249.314 2.108 20 0 BEADRM Cc1cc(C(=O)[O-])nc(NC[C@H]2CC[C@H](C)C2)n1 ZINC000231955287 960233714 /nfs/dbraw/zinc/23/37/14/960233714.db2.gz LYIPNJZMLVXBOM-WPRPVWTQSA-N -1 0 249.314 2.331 20 0 BEADRM C[C@@H](CC(=O)[O-])SC[C@@H]1CC[C@@H](C)O1 ZINC000231988999 960238981 /nfs/dbraw/zinc/23/89/81/960238981.db2.gz ZJNIWGPWDJOQFY-VGMNWLOBSA-N -1 0 218.318 2.150 20 0 BEADRM C[C@H](CSC[C@@H]1CC[C@@H](C)O1)C(=O)[O-] ZINC000231988928 960239291 /nfs/dbraw/zinc/23/92/91/960239291.db2.gz CTSAZHCPUGCPPP-HLTSFMKQSA-N -1 0 218.318 2.008 20 0 BEADRM CC(C)[C@@H](C)Sc1cncc(C(=O)[O-])n1 ZINC000232832498 960299948 /nfs/dbraw/zinc/29/99/48/960299948.db2.gz AWGZOCZGCVFNFI-SSDOTTSWSA-N -1 0 226.301 2.311 20 0 BEADRM CCCCCC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000232918385 960305543 /nfs/dbraw/zinc/30/55/43/960305543.db2.gz SJZRCGKRVXIPBB-GHMZBOCLSA-N -1 0 241.331 2.278 20 0 BEADRM CC[C@@H](C)CSc1cnc(C(=O)[O-])cn1 ZINC000233862701 960330356 /nfs/dbraw/zinc/33/03/56/960330356.db2.gz OFYGWYDZUYHVGP-SSDOTTSWSA-N -1 0 226.301 2.313 20 0 BEADRM COC1(CNc2cccc(C(=O)[O-])c2)CCC1 ZINC000234770542 960368643 /nfs/dbraw/zinc/36/86/43/960368643.db2.gz FWSMZLVQRQZVTF-UHFFFAOYSA-N -1 0 235.283 2.366 20 0 BEADRM C[C@H]1OCC[C@@H]1SCc1cc(C(=O)[O-])co1 ZINC000235636531 960471265 /nfs/dbraw/zinc/47/12/65/960471265.db2.gz CMXXQVYLRCPGCC-XCBNKYQSSA-N -1 0 242.296 2.388 20 0 BEADRM C[C@H]1OCC[C@H]1SCC(C)(C)C(=O)[O-] ZINC000235638173 960471752 /nfs/dbraw/zinc/47/17/52/960471752.db2.gz PBTRQHQHXCUXQM-HTQZYQBOSA-N -1 0 218.318 2.008 20 0 BEADRM Cc1cc(NC(=O)[C@@H]2CC2(C)C)c(C(=O)[O-])[nH]1 ZINC000235834016 960511200 /nfs/dbraw/zinc/51/12/00/960511200.db2.gz QVKHCDUVTBQFJT-ZETCQYMHSA-N -1 0 236.271 2.006 20 0 BEADRM C[C@H](OCc1ncccn1)C1=CC=C[CH]1 ZINC001222263308 960522863 /nfs/dbraw/zinc/52/28/63/960522863.db2.gz YKHKVEQOLFTBLT-JTQLQIEISA-N -1 0 201.249 2.082 20 0 BEADRM O=C([O-])CCc1csc(CC(F)(F)F)n1 ZINC000236425230 960580054 /nfs/dbraw/zinc/58/00/54/960580054.db2.gz GHFZXNRHMOAVIE-UHFFFAOYSA-N -1 0 239.218 2.265 20 0 BEADRM O=C([O-])c1ccccc1NCCOC(F)(F)F ZINC000398275045 960633263 /nfs/dbraw/zinc/63/32/63/960633263.db2.gz XCIGPDYSFSAAKL-UHFFFAOYSA-N -1 0 249.188 2.333 20 0 BEADRM CC(C)C(=O)n1[n-]c(CC(C)(C)C)cc1=O ZINC001245932515 1169779742 /nfs/dbraw/zinc/77/97/42/1169779742.db2.gz PDROJFKCESEBTL-UHFFFAOYSA-N -1 0 224.304 2.474 20 0 BEADRM 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Cc1cnc(C(=O)N2CCCC[C@H](C)C2)c(O)c1 ZINC000336102195 134083725 /nfs/dbraw/zinc/08/37/25/134083725.db2.gz HRPNNTSLPAUDAT-JTQLQIEISA-N -1 0 248.326 2.358 20 0 BEADRM O=C([O-])C1(NC(=O)C2CCCCCCC2)CC1 ZINC000173000111 134271963 /nfs/dbraw/zinc/27/19/63/134271963.db2.gz UBXFWDDZSKENGW-UHFFFAOYSA-N -1 0 239.315 2.080 20 0 BEADRM C[C@H]1CCC[C@@H]1CNC(=O)CC(C)(C)C(=O)[O-] ZINC000230645846 134517462 /nfs/dbraw/zinc/51/74/62/134517462.db2.gz RFZGDLNYAPJPMV-VHSXEESVSA-N -1 0 241.331 2.040 20 0 BEADRM CCC[C@@H](CC)NC(=O)N(C)CCCC(=O)[O-] ZINC000050406908 134660888 /nfs/dbraw/zinc/66/08/88/134660888.db2.gz AZGXMWASQDUZBU-SNVBAGLBSA-N -1 0 244.335 2.071 20 0 BEADRM CCN(CCC(=O)[O-])C(=O)C[C@@H](C)C(C)(C)C ZINC000070074448 134908783 /nfs/dbraw/zinc/90/87/83/134908783.db2.gz RPXSRMRXXTXHED-SNVBAGLBSA-N -1 0 243.347 2.382 20 0 BEADRM O=C([O-])CCCNc1nc2cc(F)ccc2o1 ZINC000257716291 135101005 /nfs/dbraw/zinc/10/10/05/135101005.db2.gz QLUHGLULIRKCKW-UHFFFAOYSA-N -1 0 238.218 2.244 20 0 BEADRM CC(C)[C@@H](Nc1ccncc1Cl)C(=O)[O-] ZINC000261536631 135108538 /nfs/dbraw/zinc/10/85/38/135108538.db2.gz SFVCJWICWHCHPV-SECBINFHSA-N -1 0 228.679 2.256 20 0 BEADRM CC[C@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262083177 135114492 /nfs/dbraw/zinc/11/44/92/135114492.db2.gz BRHFGXSLNDULQY-JTQLQIEISA-N -1 0 249.310 2.232 20 0 BEADRM CC(C)[C@@H](NC(=O)C[C@H]1CC[C@@H](C)C1)C(=O)[O-] ZINC000262909363 135123748 /nfs/dbraw/zinc/12/37/48/135123748.db2.gz RTHBKZCJFXESNU-JFGNBEQYSA-N -1 0 241.331 2.038 20 0 BEADRM CCC[C@@H](C(=O)N(C)CCCC(=O)[O-])C(C)C ZINC000263190953 135124915 /nfs/dbraw/zinc/12/49/15/135124915.db2.gz SRRJTBATJNFJGW-LLVKDONJSA-N -1 0 243.347 2.382 20 0 BEADRM CC[C@]1(C)CCN(C(=O)CCCCC(=O)[O-])C1 ZINC000263307916 135126570 /nfs/dbraw/zinc/12/65/70/135126570.db2.gz OTEPTJHDBBHTEY-CYBMUJFWSA-N -1 0 241.331 2.280 20 0 BEADRM Cc1cccc(N[C@H](CC(C)C)C(=O)[O-])n1 ZINC000257661529 135138756 /nfs/dbraw/zinc/13/87/56/135138756.db2.gz UTRFQXBBXQUOQH-SNVBAGLBSA-N -1 0 222.288 2.301 20 0 BEADRM C[C@H](C(=O)[O-])N(C)Cc1sccc1Cl ZINC000261527594 135151573 /nfs/dbraw/zinc/15/15/73/135151573.db2.gz DGMNTWGDKVJLHJ-ZCFIWIBFSA-N -1 0 233.720 2.306 20 0 BEADRM CCC[C@H](CNC(=O)CCC(C)(C)C)C(=O)[O-] ZINC000261537536 135174209 /nfs/dbraw/zinc/17/42/09/135174209.db2.gz MBCQVQROXBBULF-SNVBAGLBSA-N -1 0 243.347 2.430 20 0 BEADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CCC(C)(C)C ZINC000261537734 135174368 /nfs/dbraw/zinc/17/43/68/135174368.db2.gz UFZXTZDTIHDJPP-VHSXEESVSA-N -1 0 241.331 2.134 20 0 BEADRM CCCC[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@H](C)CC ZINC000261551269 135189944 /nfs/dbraw/zinc/18/99/44/135189944.db2.gz LZDAFBUUZOJMLX-VWYCJHECSA-N -1 0 243.347 2.428 20 0 BEADRM C[C@@H](C(=O)[O-])C(=O)NCC1CCC(C)(C)CC1 ZINC000261554907 135194226 /nfs/dbraw/zinc/19/42/26/135194226.db2.gz PIVVSXRGODPASJ-SECBINFHSA-N -1 0 241.331 2.040 20 0 BEADRM CC(C)[C@@H](C)CNC(=O)CC1(C(=O)[O-])CCC1 ZINC000261560514 135201333 /nfs/dbraw/zinc/20/13/33/135201333.db2.gz USQYRXVODYMXEY-JTQLQIEISA-N -1 0 241.331 2.040 20 0 BEADRM CC[C@@H](C)[C@@H](C)NC(=O)CC1(C(=O)[O-])CCC1 ZINC000261561126 135201635 /nfs/dbraw/zinc/20/16/35/135201635.db2.gz VDZUFQGWOHZAMP-NXEZZACHSA-N -1 0 241.331 2.182 20 0 BEADRM CCC1(NC(=O)CC2(C(=O)[O-])CCC2)CCC1 ZINC000261561956 135203932 /nfs/dbraw/zinc/20/39/32/135203932.db2.gz VUMILWCIWVNSSO-UHFFFAOYSA-N -1 0 239.315 2.080 20 0 BEADRM CC(C)[C@@H](Nc1ncc(Cl)cc1F)C(=O)[O-] ZINC000261569719 135212412 /nfs/dbraw/zinc/21/24/12/135212412.db2.gz GMGFZXJYPRJCOE-MRVPVSSYSA-N -1 0 246.669 2.395 20 0 BEADRM O=C([O-])c1cnc(N[C@@H]2CC3CCC2CC3)cn1 ZINC000261572882 135215232 /nfs/dbraw/zinc/21/52/32/135215232.db2.gz LYGZDVJUURXPBI-UDNWOFFPSA-N -1 0 247.298 2.165 20 0 BEADRM CC[C@@H](C)CC(=O)NCCCCCC(=O)[O-] ZINC000164200883 135216377 /nfs/dbraw/zinc/21/63/77/135216377.db2.gz HYEQGJDDOMYHOM-SNVBAGLBSA-N -1 0 229.320 2.184 20 0 BEADRM CCC[C@H](CNC(=O)C[C@H](C)CC)C(=O)[O-] ZINC000164229825 135217034 /nfs/dbraw/zinc/21/70/34/135217034.db2.gz BILLRKSLABFTKS-NXEZZACHSA-N -1 0 229.320 2.040 20 0 BEADRM C[C@@H]1CC[C@@H](C)N1C(=O)CCCCC(=O)[O-] ZINC000261580225 135220928 /nfs/dbraw/zinc/22/09/28/135220928.db2.gz MUTSFIDDSJXCJL-NXEZZACHSA-N -1 0 227.304 2.031 20 0 BEADRM C[C@@H](CCC(=O)[O-])NC(=O)[C@@H](C)C(C)(C)C ZINC000261586554 135227643 /nfs/dbraw/zinc/22/76/43/135227643.db2.gz RFSKCLXUTXYBHM-DTWKUNHWSA-N -1 0 229.320 2.038 20 0 BEADRM CC(C)C[C@H](Nc1ccc(F)cn1)C(=O)[O-] ZINC000261586545 135227800 /nfs/dbraw/zinc/22/78/00/135227800.db2.gz REOKADREWPPDCM-VIFPVBQESA-N -1 0 226.251 2.132 20 0 BEADRM CC[C@@H](C)CC(=O)NCCC(C)(C)C(=O)[O-] ZINC000261586450 135227926 /nfs/dbraw/zinc/22/79/26/135227926.db2.gz RBXWIVCJWXTVGW-SECBINFHSA-N -1 0 229.320 2.040 20 0 BEADRM Cc1cc(NC(=O)C(C)(C)C(=O)[O-])ccc1F ZINC000215155847 135232049 /nfs/dbraw/zinc/23/20/49/135232049.db2.gz JEWSVONPCXDRCF-UHFFFAOYSA-N -1 0 239.246 2.183 20 0 BEADRM CCCC[C@@H](C)C(=O)NC[C@H](C)CC(=O)[O-] ZINC000261592600 135232898 /nfs/dbraw/zinc/23/28/98/135232898.db2.gz VYERAXOAYSTDRE-NXEZZACHSA-N -1 0 229.320 2.040 20 0 BEADRM CC(C)C[C@@H](Nc1ncc(Cl)cn1)C(=O)[O-] ZINC000261597499 135236944 /nfs/dbraw/zinc/23/69/44/135236944.db2.gz ZDKQBZDONJCPOA-MRVPVSSYSA-N -1 0 243.694 2.041 20 0 BEADRM CC1(C)CCC(CNC(=O)CCC(=O)[O-])CC1 ZINC000261546562 135238724 /nfs/dbraw/zinc/23/87/24/135238724.db2.gz GZGNESABBFNLIX-UHFFFAOYSA-N -1 0 241.331 2.184 20 0 BEADRM CCC[C@@H](CNc1cccc(C(=O)[O-])n1)OC ZINC000262000378 135271180 /nfs/dbraw/zinc/27/11/80/135271180.db2.gz PIEBBMJRFKIGDO-VIFPVBQESA-N -1 0 238.287 2.007 20 0 BEADRM Cc1n[n-]c(=NCC2C3CC4CC(C3)CC2C4)o1 ZINC000342479165 135272630 /nfs/dbraw/zinc/27/26/30/135272630.db2.gz BIRDWTPTAYHCGA-UHFFFAOYSA-N -1 0 247.342 2.284 20 0 BEADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)C(C)C ZINC000262040867 135274724 /nfs/dbraw/zinc/27/47/24/135274724.db2.gz CSCZQQKUGDIWDH-SNVBAGLBSA-N -1 0 243.347 2.428 20 0 BEADRM CCN(C(=O)CCC(=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000262123227 135280660 /nfs/dbraw/zinc/28/06/60/135280660.db2.gz LLVMKHDTTXGZGM-GHMZBOCLSA-N -1 0 241.331 2.278 20 0 BEADRM CC[C@H](C)[C@@H](NC(=O)C1=C(C)CCC1)C(=O)[O-] ZINC000262159158 135282719 /nfs/dbraw/zinc/28/27/19/135282719.db2.gz NXBNTQNOGKBRJB-GZMMTYOYSA-N -1 0 239.315 2.102 20 0 BEADRM CC[C@H]1CC[C@H](C(=O)NC(C)(C)C(=O)[O-])CC1 ZINC000262167715 135283945 /nfs/dbraw/zinc/28/39/45/135283945.db2.gz HMVJLHOVGBCPOW-MGCOHNPYSA-N -1 0 241.331 2.182 20 0 BEADRM CCOc1cc(C)ccc1CN=c1[n-]nc(C)o1 ZINC000342509906 135284658 /nfs/dbraw/zinc/28/46/58/135284658.db2.gz LCFVLIVXFBYGPF-UHFFFAOYSA-N -1 0 247.298 2.119 20 0 BEADRM CC[C@H]1CC[C@H](C(=O)N(C)CCC(=O)[O-])CC1 ZINC000262274998 135289032 /nfs/dbraw/zinc/28/90/32/135289032.db2.gz TUOKZDWSYGJGOH-XYPYZODXSA-N -1 0 241.331 2.136 20 0 BEADRM CCC[C@@H](C)CC(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000262202637 135290018 /nfs/dbraw/zinc/29/00/18/135290018.db2.gz VHCPFRKCUBUBOO-MWLCHTKSSA-N -1 0 241.331 2.182 20 0 BEADRM CC[C@@H](C)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000262452055 135300198 /nfs/dbraw/zinc/30/01/98/135300198.db2.gz UUWJIKFJZOOBAU-SSDOTTSWSA-N -1 0 239.246 2.052 20 0 BEADRM CC(C)(C)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000262451921 135300436 /nfs/dbraw/zinc/30/04/36/135300436.db2.gz USXKLUDZDWQRKE-UHFFFAOYSA-N -1 0 239.246 2.052 20 0 BEADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)CC(F)F ZINC000262457390 135300668 /nfs/dbraw/zinc/30/06/68/135300668.db2.gz RTLODHWVHYLGIH-SECBINFHSA-N -1 0 243.253 2.227 20 0 BEADRM C[C@H](C(=O)[O-])N(C(=O)CCC(C)(C)C)C1CC1 ZINC000262586760 135306800 /nfs/dbraw/zinc/30/68/00/135306800.db2.gz GWRMSLSKQRQCOO-SECBINFHSA-N -1 0 241.331 2.277 20 0 BEADRM CCC[C@@H](C)CC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000262664938 135312183 /nfs/dbraw/zinc/31/21/83/135312183.db2.gz VMCIEJMMBHUVJO-ZJUUUORDSA-N -1 0 241.331 2.277 20 0 BEADRM CCCC[C@@H](C)C(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC000262739393 135316382 /nfs/dbraw/zinc/31/63/82/135316382.db2.gz AAZHNYUKWSYDIH-NXEZZACHSA-N -1 0 241.331 2.277 20 0 BEADRM CC(C)C[C@H](C)CC(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC000262770711 135317090 /nfs/dbraw/zinc/31/70/90/135317090.db2.gz ABDHVGKBNMCKSY-DCAQKATOSA-N -1 0 243.347 2.284 20 0 BEADRM CC(C)C[C@H](C)CC(=O)N[C@H](C)[C@H](C)C(=O)[O-] ZINC000262770712 135317188 /nfs/dbraw/zinc/31/71/88/135317188.db2.gz ABDHVGKBNMCKSY-GARJFASQSA-N -1 0 243.347 2.284 20 0 BEADRM CC(C)C[C@H](C)CC(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000262770714 135317658 /nfs/dbraw/zinc/31/76/58/135317658.db2.gz ABDHVGKBNMCKSY-HBNTYKKESA-N -1 0 243.347 2.284 20 0 BEADRM CCC(CC)[C@@H](CCN=c1[n-]nc(C)o1)OC ZINC000342783925 135317703 /nfs/dbraw/zinc/31/77/03/135317703.db2.gz QOXXHCLGKDTPLP-LLVKDONJSA-N -1 0 241.335 2.053 20 0 BEADRM C[C@H](NC(=O)CC1CCC(C)(C)CC1)C(=O)[O-] ZINC000262815760 135320016 /nfs/dbraw/zinc/32/00/16/135320016.db2.gz VAKSWPZMFJPWAM-VIFPVBQESA-N -1 0 241.331 2.182 20 0 BEADRM C[C@H](NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1)C(=O)[O-] ZINC000262834635 135320884 /nfs/dbraw/zinc/32/08/84/135320884.db2.gz YHIKNUKUDRQOLD-LPEHRKFASA-N -1 0 241.331 2.038 20 0 BEADRM C[C@H](NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)[O-] ZINC000262834634 135321012 /nfs/dbraw/zinc/32/10/12/135321012.db2.gz YHIKNUKUDRQOLD-KXUCPTDWSA-N -1 0 241.331 2.038 20 0 BEADRM C[C@]1(C(=O)[O-])CCCN1C(=O)C1CCCCC1 ZINC000079479480 135322629 /nfs/dbraw/zinc/32/26/29/135322629.db2.gz DPAMCRNSZPJBJZ-CYBMUJFWSA-N -1 0 239.315 2.032 20 0 BEADRM CC[C@]1(C)C[C@@H]1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000262959309 135325049 /nfs/dbraw/zinc/32/50/49/135325049.db2.gz JDLPQHZGMXREMH-NOZJJQNGSA-N -1 0 241.331 2.040 20 0 BEADRM CC[C@H](C)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263098289 135332672 /nfs/dbraw/zinc/33/26/72/135332672.db2.gz CPUWBAQHGJDOTH-ZETCQYMHSA-N -1 0 241.312 2.109 20 0 BEADRM C[C@@H](CC(=O)[O-])NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000263109983 135333369 /nfs/dbraw/zinc/33/33/69/135333369.db2.gz JNLRVCFXGFCECS-UWVGGRQHSA-N -1 0 241.331 2.182 20 0 BEADRM CCC[C@H](CNC(=O)C[C@@H](C)CCC)C(=O)[O-] ZINC000263116902 135333831 /nfs/dbraw/zinc/33/38/31/135333831.db2.gz GMMRANHBRLRWHK-WDEREUQCSA-N -1 0 243.347 2.430 20 0 BEADRM CC(C)CCC(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000263138711 135334638 /nfs/dbraw/zinc/33/46/38/135334638.db2.gz YFUODRCKFCZOQI-CYBMUJFWSA-N -1 0 243.347 2.428 20 0 BEADRM O=C([O-])[C@H]1CCCN1Cc1ccsc1Cl ZINC000263130138 135334918 /nfs/dbraw/zinc/33/49/18/135334918.db2.gz LMBVOHSMYHIIFP-MRVPVSSYSA-N -1 0 245.731 2.451 20 0 BEADRM CC[C@H](C)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000263151029 135335878 /nfs/dbraw/zinc/33/58/78/135335878.db2.gz NRWOOBWWGKPJIL-VHSXEESVSA-N -1 0 243.347 2.428 20 0 BEADRM CCC[C@H](C(=O)N[C@H](CC)C(=O)[O-])C(C)C ZINC000263167545 135337064 /nfs/dbraw/zinc/33/70/64/135337064.db2.gz POQIRQIHTYATCD-VHSXEESVSA-N -1 0 229.320 2.038 20 0 BEADRM O=C([O-])c1ccc(NC(=O)[C@H]2CC23CC3)c(F)c1 ZINC000263197838 135338709 /nfs/dbraw/zinc/33/87/09/135338709.db2.gz MAUMQKGDEFYMJF-MRVPVSSYSA-N -1 0 249.241 2.263 20 0 BEADRM C/C=C/C[C@@H](NC(=O)CC1CCCC1)C(=O)[O-] ZINC000263238506 135342032 /nfs/dbraw/zinc/34/20/32/135342032.db2.gz DMOXWTHHHOWJMP-KXMPLOMGSA-N -1 0 239.315 2.102 20 0 BEADRM CC[C@@H](C)[C@H](C)C(=O)N(CCC(=O)[O-])C(C)C ZINC000263259935 135342706 /nfs/dbraw/zinc/34/27/06/135342706.db2.gz MCBZKWVEPKBJRW-MNOVXSKESA-N -1 0 243.347 2.380 20 0 BEADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2CC23CC3)c1 ZINC000263284301 135344200 /nfs/dbraw/zinc/34/42/00/135344200.db2.gz XUAGBDZNRJYLAF-LLVKDONJSA-N -1 0 245.278 2.052 20 0 BEADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2CC23CC3)c1 ZINC000263284302 135344213 /nfs/dbraw/zinc/34/42/13/135344213.db2.gz XUAGBDZNRJYLAF-NSHDSACASA-N -1 0 245.278 2.052 20 0 BEADRM CC[C@H](C)[C@H](C)C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000263279077 135344270 /nfs/dbraw/zinc/34/42/70/135344270.db2.gz RIMMPPORWKAMDH-GUBZILKMSA-N -1 0 241.331 2.133 20 0 BEADRM CCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263293002 135344896 /nfs/dbraw/zinc/34/48/96/135344896.db2.gz MMKMDPZXEXZKCV-MRVPVSSYSA-N -1 0 221.256 2.223 20 0 BEADRM CCC(CC)[C@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000263306567 135346060 /nfs/dbraw/zinc/34/60/60/135346060.db2.gz FHLNVFLWKGGTOW-GXSJLCMTSA-N -1 0 243.347 2.284 20 0 BEADRM C[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC000263317438 135346368 /nfs/dbraw/zinc/34/63/68/135346368.db2.gz ZLJGSBLZAOUMQK-AEJSXWLSSA-N -1 0 241.331 2.038 20 0 BEADRM C[C@@H](C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000263317441 135346708 /nfs/dbraw/zinc/34/67/08/135346708.db2.gz ZLJGSBLZAOUMQK-LPEHRKFASA-N -1 0 241.331 2.038 20 0 BEADRM CC1=C(C)CN(c2cccc(C(=O)[O-])n2)CC1 ZINC000263323551 135346916 /nfs/dbraw/zinc/34/69/16/135346916.db2.gz JRAPXKMHRXAIEP-UHFFFAOYSA-N -1 0 232.283 2.326 20 0 BEADRM C[C@H](N(C)c1cccc(C(=O)[O-])n1)C1(C)CC1 ZINC000263355816 135346969 /nfs/dbraw/zinc/34/69/69/135346969.db2.gz RQNQQEGFKWHJSL-VIFPVBQESA-N -1 0 234.299 2.405 20 0 BEADRM Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)[O-])c1F ZINC000263332639 135347354 /nfs/dbraw/zinc/34/73/54/135347354.db2.gz MMTUDZAGZRNDAF-SECBINFHSA-N -1 0 225.263 2.039 20 0 BEADRM CCC[C@H](NC(=O)[C@H](C)C(CC)CC)C(=O)[O-] ZINC000263354090 135348644 /nfs/dbraw/zinc/34/86/44/135348644.db2.gz QVKWZOUFTYXQHH-KOLCDFICSA-N -1 0 243.347 2.428 20 0 BEADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC[C@H](C)C2)c1 ZINC000263357394 135348816 /nfs/dbraw/zinc/34/88/16/135348816.db2.gz XKWOEGSVUYVLDA-VIFPVBQESA-N -1 0 247.294 2.175 20 0 BEADRM CCC(CC)[C@H](C)C(=O)N[C@H](CC)C(=O)[O-] ZINC000263361686 135349932 /nfs/dbraw/zinc/34/99/32/135349932.db2.gz UOKDBZWFEULPCK-WCBMZHEXSA-N -1 0 229.320 2.038 20 0 BEADRM C[C@@H]1CC[C@@H](C)N1c1cccc(C(=O)[O-])n1 ZINC000263377745 135350571 /nfs/dbraw/zinc/35/05/71/135350571.db2.gz BVPWPZFCQULMPA-RKDXNWHRSA-N -1 0 220.272 2.157 20 0 BEADRM CC[C@]1(C)CCCN(c2cnc(C(=O)[O-])cn2)C1 ZINC000263381182 135350604 /nfs/dbraw/zinc/35/06/04/135350604.db2.gz CMZNAUGTMZYSIQ-CYBMUJFWSA-N -1 0 249.314 2.191 20 0 BEADRM Cc1cc2nc(N(C)CCC(=O)[O-])oc2c(C)c1 ZINC000263404221 135351814 /nfs/dbraw/zinc/35/18/14/135351814.db2.gz JZWSUIMCHCNEQG-UHFFFAOYSA-N -1 0 248.282 2.356 20 0 BEADRM O=C([O-])c1cccc(N2CCC[C@H](C3CC3)C2)n1 ZINC000263413734 135352816 /nfs/dbraw/zinc/35/28/16/135352816.db2.gz NFFXKFRRCKCXBT-NSHDSACASA-N -1 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2.475 20 0 BEADRM C[C@H](OC1CCCCC1)C(=O)[N-]OC1CCC1 ZINC001117844696 987947824 /nfs/dbraw/zinc/94/78/24/987947824.db2.gz CBKXPULRSGXJDU-JTQLQIEISA-N -1 0 241.331 2.325 20 0 BEADRM CCc1cc(OC/C(C)=C\C(=O)[O-])ccc1C=O ZINC001597487249 987992257 /nfs/dbraw/zinc/99/22/57/987992257.db2.gz KBPFZNNUISGLQZ-POHAHGRESA-N -1 0 248.278 2.471 20 0 BEADRM CCc1cc(OCCCC(=O)[O-])ccc1C=O ZINC001597487267 987992523 /nfs/dbraw/zinc/99/25/23/987992523.db2.gz LDHXKGXYDQUCJT-UHFFFAOYSA-N -1 0 236.267 2.305 20 0 BEADRM CSCCC(=O)Oc1cccc(C(=O)[O-])c1 ZINC001599794276 988068263 /nfs/dbraw/zinc/06/82/63/988068263.db2.gz DMEUBHSGBBMMCH-UHFFFAOYSA-N -1 0 240.280 2.043 20 0 BEADRM CC(C)(C)CCCCC(=O)N[C@H](CF)C(=O)[O-] ZINC001589771961 988127564 /nfs/dbraw/zinc/12/75/64/988127564.db2.gz QZTBKCGWDKEBAO-SECBINFHSA-N -1 0 247.310 2.132 20 0 BEADRM O=C([O-])CCSCc1ncoc1C1CC1 ZINC001595063909 988129168 /nfs/dbraw/zinc/12/91/68/988129168.db2.gz IURZQIZLXGKGTP-UHFFFAOYSA-N -1 0 227.285 2.260 20 0 BEADRM O=C([O-])CNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001595103539 988179612 /nfs/dbraw/zinc/17/96/12/988179612.db2.gz XQUJRXHKRIPDFH-UHFFFAOYSA-N -1 0 245.278 2.068 20 0 BEADRM O=C([O-])CSc1nc2cccc(F)c2o1 ZINC001595128744 988221878 /nfs/dbraw/zinc/22/18/78/988221878.db2.gz IRMYZKWTNZBNGX-UHFFFAOYSA-N -1 0 227.216 2.144 20 0 BEADRM CSc1cc(C(=O)OCCCC(=O)[O-])co1 ZINC001599807447 988278330 /nfs/dbraw/zinc/27/83/30/988278330.db2.gz NQFIVOJCOWZSCN-UHFFFAOYSA-N -1 0 244.268 2.023 20 0 BEADRM CC(C)(C)O[N-]C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001322470662 988282040 /nfs/dbraw/zinc/28/20/40/988282040.db2.gz HRYSADYLCHICBK-NSHDSACASA-N -1 0 237.274 2.312 20 0 BEADRM CC[C@H](COC(=O)c1ccc(C)s1)C(=O)[O-] ZINC001595184233 988300780 /nfs/dbraw/zinc/30/07/80/988300780.db2.gz XJYXWLVBCGIUAO-MRVPVSSYSA-N -1 0 242.296 2.324 20 0 BEADRM Cc1cccc2nc(NC[C@H](C)C(=O)[O-])oc21 ZINC001118393929 988308783 /nfs/dbraw/zinc/30/87/83/988308783.db2.gz GQEYMTNHRGCKAU-QMMMGPOBSA-N -1 0 234.255 2.269 20 0 BEADRM C[C@@H](C(=O)[N-]OCc1ccccc1)n1cccc1 ZINC001322871311 988396162 /nfs/dbraw/zinc/39/61/62/988396162.db2.gz DVCHXTJDXPRXPH-LBPRGKRZSA-N -1 0 244.294 2.297 20 0 BEADRM CCc1cccc(N(C)C(=O)[C@H](CC)C(=O)[O-])c1 ZINC001597592342 988418746 /nfs/dbraw/zinc/41/87/46/988418746.db2.gz FERCCPVEZMOUPR-LBPRGKRZSA-N -1 0 249.310 2.323 20 0 BEADRM C[C@@H](C(=O)[N-]OC(C)(C)C)C(F)(F)F ZINC001323132910 988454217 /nfs/dbraw/zinc/45/42/17/988454217.db2.gz XAZVHSFFDKMTFK-YFKPBYRVSA-N -1 0 213.199 2.031 20 0 BEADRM CC[C@H](C)[C@H](C)C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001118751517 988548570 /nfs/dbraw/zinc/54/85/70/988548570.db2.gz FYFHMDBZFQRRSE-UWVGGRQHSA-N -1 0 243.347 2.380 20 0 BEADRM CC[C@@H](OC(=O)C1(F)CCCC1)[C@@H](C)C(=O)[O-] ZINC001595338464 988550935 /nfs/dbraw/zinc/55/09/35/988550935.db2.gz XVNIFQMFMXLBJH-RKDXNWHRSA-N -1 0 246.278 2.311 20 0 BEADRM CC[C@H](C)[C@@H](C)C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001118751518 988551189 /nfs/dbraw/zinc/55/11/89/988551189.db2.gz FYFHMDBZFQRRSE-VHSXEESVSA-N -1 0 243.347 2.380 20 0 BEADRM CCc1ccncc1N[C@H](C)[C@H]1C[C@H]1C(=O)[O-] ZINC001597623110 988569003 /nfs/dbraw/zinc/56/90/03/988569003.db2.gz NTYJTSGGXIHIQP-FBIMIBRVSA-N -1 0 234.299 2.165 20 0 BEADRM CCc1ccncc1N[C@H](C)[C@@H]1C[C@H]1C(=O)[O-] ZINC001597623109 988569244 /nfs/dbraw/zinc/56/92/44/988569244.db2.gz NTYJTSGGXIHIQP-DVVUODLYSA-N -1 0 234.299 2.165 20 0 BEADRM CCCC[C@H](SC[C@H]1CCC(=O)O1)C(=O)[O-] ZINC001595656259 988636906 /nfs/dbraw/zinc/63/69/06/988636906.db2.gz WGMGEFOLYMYQPP-BDAKNGLRSA-N -1 0 246.328 2.069 20 0 BEADRM CCCC[C@H](OC(=O)c1cc(C)co1)C(=O)[O-] ZINC001595650687 988638887 /nfs/dbraw/zinc/63/88/87/988638887.db2.gz LQRPQJFXXSMJLJ-VIFPVBQESA-N -1 0 240.255 2.388 20 0 BEADRM C[C@@H](CC(=O)[O-])OC(=O)C1(C)CCCCC1 ZINC001599833796 988713196 /nfs/dbraw/zinc/71/31/96/988713196.db2.gz VYHRVBGVCHTBKH-VIFPVBQESA-N -1 0 228.288 2.363 20 0 BEADRM C[C@@H](CC(=O)[O-])OC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001599835154 988730261 /nfs/dbraw/zinc/73/02/61/988730261.db2.gz RBLLGKLCHANNAO-ZMLRMANQSA-N 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20 0 BEADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])[nH]1)C1CCC1 ZINC001599846615 988944012 /nfs/dbraw/zinc/94/40/12/988944012.db2.gz LMYDHHJREVJZPA-SSDOTTSWSA-N -1 0 237.255 2.058 20 0 BEADRM O=C([O-])COC(=O)c1cc(Cl)cc(Cl)c1 ZINC001602077111 988980582 /nfs/dbraw/zinc/98/05/82/988980582.db2.gz MPLKLEQXDUNGAX-UHFFFAOYSA-N -1 0 249.049 2.235 20 0 BEADRM CCc1nnc(S[C@H](C(=O)[O-])[C@H](C)CC)o1 ZINC001597735403 989076142 /nfs/dbraw/zinc/07/61/42/989076142.db2.gz BLPUUVOBMJYDFV-SVRRBLITSA-N -1 0 244.316 2.223 20 0 BEADRM CCCCC[C@@H](NCc1cc(C)no1)C(=O)[O-] ZINC001119536093 989137242 /nfs/dbraw/zinc/13/72/42/989137242.db2.gz GOSHTAIZPKDDKP-LLVKDONJSA-N -1 0 240.303 2.106 20 0 BEADRM CCCCC[C@H](NCc1cc(C)no1)C(=O)[O-] ZINC001119536165 989139157 /nfs/dbraw/zinc/13/91/57/989139157.db2.gz GOSHTAIZPKDDKP-NSHDSACASA-N -1 0 240.303 2.106 20 0 BEADRM CCCN(CC(=O)[O-])c1nc2cccc(C)c2o1 ZINC001325655667 989224285 /nfs/dbraw/zinc/22/42/85/989224285.db2.gz LBQTZXCLZBJFIG-UHFFFAOYSA-N -1 0 248.282 2.437 20 0 BEADRM C[C@H](CC(=O)[O-])Nc1ncc(Cl)s1 ZINC001325656948 989226581 /nfs/dbraw/zinc/22/65/81/989226581.db2.gz ZVJSEVYTWQMNFC-SCSAIBSYSA-N -1 0 220.681 2.072 20 0 BEADRM C[C@@H](C(=O)[O-])c1noc(/C=C/c2ccccc2)n1 ZINC001602822333 989226645 /nfs/dbraw/zinc/22/66/45/989226645.db2.gz FIIOHFLQEDXRMZ-FCZSHJHJSA-N -1 0 244.250 2.428 20 0 BEADRM CCc1oc(C(=O)[O-])cc1CSC[C@H](C)O ZINC001597772347 989237169 /nfs/dbraw/zinc/23/71/69/989237169.db2.gz ZEJGOBALRLQDQX-ZETCQYMHSA-N -1 0 244.312 2.154 20 0 BEADRM Cc1nnc([N-]c2cc(F)cc(N)c2Cl)o1 ZINC001249645812 989335624 /nfs/dbraw/zinc/33/56/24/989335624.db2.gz SYFIIYGRMNPFNO-UHFFFAOYSA-N -1 0 242.641 2.496 20 0 BEADRM O=C([O-])c1cccnc1N[C@@H]1CCC[C@@H](F)C1 ZINC001326221390 989433158 /nfs/dbraw/zinc/43/31/58/989433158.db2.gz HRVRULZOWCSNFB-RKDXNWHRSA-N -1 0 238.262 2.472 20 0 BEADRM CC/C(C)=C\C(=O)Nc1ncccc1C(=O)[O-] ZINC001603511178 989434436 /nfs/dbraw/zinc/43/44/36/989434436.db2.gz SBPWMCPYCPJGPB-FPLPWBNLSA-N -1 0 234.255 2.075 20 0 BEADRM CCc1onc(C)c1CSC[C@H](C)C(=O)[O-] ZINC001597815510 989441523 /nfs/dbraw/zinc/44/15/23/989441523.db2.gz FUZKEKGGZFLMIR-ZETCQYMHSA-N -1 0 243.328 2.499 20 0 BEADRM CC(C)CO[N-]C(=O)[C@@]12CCO[C@H]1CCCC2 ZINC001119964901 989514225 /nfs/dbraw/zinc/51/42/25/989514225.db2.gz SEWQHOMAFWYDOY-AAEUAGOBSA-N -1 0 241.331 2.040 20 0 BEADRM Cc1ccc(NC(=O)c2cccc(F)c2[O-])nc1 ZINC001521189373 989652372 /nfs/dbraw/zinc/65/23/72/989652372.db2.gz NHADYPIFCIBFIF-UHFFFAOYSA-N -1 0 246.241 2.487 20 0 BEADRM CC[C@@H](F)C(=O)[N-]OC1CCCCC1 ZINC001120637781 989807782 /nfs/dbraw/zinc/80/77/82/989807782.db2.gz YAVOILCYUBJXDH-SECBINFHSA-N -1 0 203.257 2.115 20 0 BEADRM CC[C@H](F)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001120743506 989861348 /nfs/dbraw/zinc/86/13/48/989861348.db2.gz UDEGMJILEGCQEU-YFKPBYRVSA-N -1 0 233.189 2.357 20 0 BEADRM O=C(NCC1CCCC1)c1cccc(F)c1[O-] ZINC001525144908 990030746 /nfs/dbraw/zinc/03/07/46/990030746.db2.gz KRAJBSFGBKNLTH-UHFFFAOYSA-N -1 0 237.274 2.451 20 0 BEADRM CC(C)(C)c1cc(CSCC(=O)[O-])no1 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ZINC000087486858 383843677 /nfs/dbraw/zinc/84/36/77/383843677.db2.gz WMDIRRNTCNDKEV-GFCCVEGCSA-N -1 0 249.310 2.226 20 0 BEADRM CCC[C@@](C)(NC(=O)C[C@@H]1C=CCC1)C(=O)[O-] ZINC000036337713 383899402 /nfs/dbraw/zinc/89/94/02/383899402.db2.gz DNGVUHBXKRWKGM-ZWNOBZJWSA-N -1 0 239.315 2.102 20 0 BEADRM CCC(CC)[C@@H](C)C(=O)N(C)[C@H](C)CC(=O)[O-] ZINC000565901844 383905852 /nfs/dbraw/zinc/90/58/52/383905852.db2.gz AACGRFALYDMVHI-NXEZZACHSA-N -1 0 243.347 2.380 20 0 BEADRM CC1(CN=c2[n-]c(C3CCC3)no2)CCC1 ZINC000560187175 383959553 /nfs/dbraw/zinc/95/95/53/383959553.db2.gz UMIPIOZWGDAUEW-UHFFFAOYSA-N -1 0 221.304 2.361 20 0 BEADRM O=C(/C=C/C1CC1)Nc1cc(C(=O)[O-])cs1 ZINC000309405808 383976610 /nfs/dbraw/zinc/97/66/10/383976610.db2.gz XBYBZAANGBBRAG-ONEGZZNKSA-N -1 0 237.280 2.351 20 0 BEADRM O=C(CCC1CC1)Nc1n[nH]c(-c2ccco2)n1 ZINC000115361211 384078686 /nfs/dbraw/zinc/07/86/86/384078686.db2.gz TVDQLEAJPWHGTI-UHFFFAOYSA-N -1 0 246.270 2.193 20 0 BEADRM CCO[N-]C(=O)CSc1cc(C)ccc1C ZINC000070273651 384095751 /nfs/dbraw/zinc/09/57/51/384095751.db2.gz XJZHAPKIULZGIP-UHFFFAOYSA-N -1 0 239.340 2.463 20 0 BEADRM CN(CC(C)(C)C)C(=O)c1c(O)cccc1O ZINC000092120780 384166018 /nfs/dbraw/zinc/16/60/18/384166018.db2.gz WKLODKWMHMDGGT-UHFFFAOYSA-N -1 0 237.299 2.216 20 0 BEADRM Cc1cc(C)cc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC000132612739 384239490 /nfs/dbraw/zinc/23/94/90/384239490.db2.gz NYDQSNKNIHGRAD-WDEREUQCSA-N -1 0 249.310 2.142 20 0 BEADRM C[C@H](Nc1cccc(CC(=O)[O-])c1)[C@@H]1CCOC1 ZINC000518725983 384228620 /nfs/dbraw/zinc/22/86/20/384228620.db2.gz DVWIODIFMUMVJK-CMPLNLGQSA-N -1 0 249.310 2.151 20 0 BEADRM CCc1ccc(C(=O)NC[C@@H](C)CC(=O)[O-])cc1 ZINC000158555580 384243552 /nfs/dbraw/zinc/24/35/52/384243552.db2.gz RSEQPNOEJOUPRB-JTQLQIEISA-N -1 0 249.310 2.090 20 0 BEADRM FC(F)(F)c1nsc(=N[C@@H]2C[C@H]3C[C@H]3C2)[n-]1 ZINC000335394539 384255116 /nfs/dbraw/zinc/25/51/16/384255116.db2.gz IGZAOMUTXDGKPH-FPFOFBBKSA-N -1 0 249.261 2.189 20 0 BEADRM Cc1ccc(C)c(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC000132942126 384264626 /nfs/dbraw/zinc/26/46/26/384264626.db2.gz UTOOPFUXYJCFNK-QWRGUYRKSA-N -1 0 249.310 2.142 20 0 BEADRM Cc1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])cc1C ZINC000133040686 384269931 /nfs/dbraw/zinc/26/99/31/384269931.db2.gz ZFSCPQVCWBYVGQ-GHMZBOCLSA-N -1 0 249.310 2.142 20 0 BEADRM CC(C)(C)c1nsc(NCCCC(=O)[O-])n1 ZINC000083650345 384318771 /nfs/dbraw/zinc/31/87/71/384318771.db2.gz FUUGNTCAXKGZJN-UHFFFAOYSA-N -1 0 243.332 2.112 20 0 BEADRM CC[C@](C)(NC(=O)CC1=CCCCC1)C(=O)[O-] ZINC000094219284 384294920 /nfs/dbraw/zinc/29/49/20/384294920.db2.gz XWSLMJOEQAFDCL-ZDUSSCGKSA-N -1 0 239.315 2.246 20 0 BEADRM C[C@@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccccc1 ZINC000077427439 384408582 /nfs/dbraw/zinc/40/85/82/384408582.db2.gz HWNAQWCNBCWJIZ-SNVBAGLBSA-N -1 0 249.310 2.365 20 0 BEADRM CN(Cc1ccccc1)C(=O)CCCCC(=O)[O-] ZINC000035325459 384408945 /nfs/dbraw/zinc/40/89/45/384408945.db2.gz IIGIVTFYBWRTTC-UHFFFAOYSA-N -1 0 249.310 2.290 20 0 BEADRM CC/C=C(\C)C(=O)N[C@@H](CCCC)C(=O)[O-] ZINC000035410491 384409586 /nfs/dbraw/zinc/40/95/86/384409586.db2.gz NCHPRRWWOBHLIH-PCYYEKQGSA-N -1 0 227.304 2.102 20 0 BEADRM C[C@@]1(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@@H]1F ZINC000335631917 384411720 /nfs/dbraw/zinc/41/17/20/384411720.db2.gz CNDQULVMIXRTER-JOYOIKCWSA-N -1 0 237.230 2.071 20 0 BEADRM C[C@@H](NC(=O)c1ccc(O)cc1F)C(C)(F)F ZINC000335656003 384457222 /nfs/dbraw/zinc/45/72/22/384457222.db2.gz GYIMZZDSGTVZJQ-ZCFIWIBFSA-N -1 0 247.216 2.305 20 0 BEADRM O=C([O-])CCCCCNC(=O)[C@H]1CC=CCC1 ZINC000019504511 384525398 /nfs/dbraw/zinc/52/53/98/384525398.db2.gz JOZUJKMFAUGSEU-NSHDSACASA-N -1 0 239.315 2.104 20 0 BEADRM CSCCCNC(=O)c1cc(F)ccc1O ZINC000080029011 384526711 /nfs/dbraw/zinc/52/67/11/384526711.db2.gz OFDZCYNRGPVYBH-UHFFFAOYSA-N -1 0 243.303 2.014 20 0 BEADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCCC1 ZINC000184163475 384575471 /nfs/dbraw/zinc/57/54/71/384575471.db2.gz FNDMDOLCPJFHSW-UHFFFAOYSA-N -1 0 243.665 2.421 20 0 BEADRM CCO[N-]C(=O)[C@@H](SC)c1ccccc1 ZINC000172503171 384602735 /nfs/dbraw/zinc/60/27/35/384602735.db2.gz XHVZTAAATMHOKY-JTQLQIEISA-N -1 0 225.313 2.158 20 0 BEADRM Cc1noc(=NCc2ccc(C3CC3)cc2)[n-]1 ZINC000556890123 384611838 /nfs/dbraw/zinc/61/18/38/384611838.db2.gz XTFMPSLBXLPFLX-UHFFFAOYSA-N -1 0 229.283 2.289 20 0 BEADRM CCc1cc(=O)n(Cc2ccccc2)[n-]1 ZINC000100216807 384624312 /nfs/dbraw/zinc/62/43/12/384624312.db2.gz PZYICGSSNPCUST-UHFFFAOYSA-N -1 0 202.257 2.185 20 0 BEADRM C[C@@H]1C[C@H](C)N(c2cccc(C(=O)[O-])n2)C1 ZINC000157900043 384630439 /nfs/dbraw/zinc/63/04/39/384630439.db2.gz WHHGMAQWTHRVPB-BDAKNGLRSA-N -1 0 220.272 2.015 20 0 BEADRM Cc1ccc2oc(C(=O)Nc3nc[nH]n3)cc2c1 ZINC000048733956 384674901 /nfs/dbraw/zinc/67/49/01/384674901.db2.gz ARRYNFNZHGWHTD-UHFFFAOYSA-N -1 0 242.238 2.112 20 0 BEADRM Cc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000235869179 384643579 /nfs/dbraw/zinc/64/35/79/384643579.db2.gz KHDQXLTUMOPVOR-MNOVXSKESA-N -1 0 247.294 2.434 20 0 BEADRM CC(C)c1cc(=O)n(-c2ccccn2)[n-]1 ZINC000100672155 384651249 /nfs/dbraw/zinc/65/12/49/384651249.db2.gz DKBUULGTZZKBKT-UHFFFAOYSA-N -1 0 203.245 2.096 20 0 BEADRM O=C(Nc1ccccc1O)c1cccc(O)c1 ZINC000082265486 384656110 /nfs/dbraw/zinc/65/61/10/384656110.db2.gz IGGBNFONEBFENZ-UHFFFAOYSA-N -1 0 229.235 2.350 20 0 BEADRM CC[C@H](F)CN(CC(=O)[O-])Cc1ccccc1 ZINC000518782725 384677234 /nfs/dbraw/zinc/67/72/34/384677234.db2.gz JHPJVARBCQAKFX-LBPRGKRZSA-N -1 0 239.290 2.321 20 0 BEADRM CN(Cc1ccoc1)Cc1cc(C(=O)[O-])co1 ZINC000051330547 384704130 /nfs/dbraw/zinc/70/41/30/384704130.db2.gz RYGQUOFPFIWFEZ-UHFFFAOYSA-N -1 0 235.239 2.203 20 0 BEADRM COCc1ccccc1C[N-]C(=O)C(F)(F)F ZINC000112021113 384773588 /nfs/dbraw/zinc/77/35/88/384773588.db2.gz RKULKVSAQWKLTR-UHFFFAOYSA-N -1 0 247.216 2.012 20 0 BEADRM CCO[N-]C(=O)[C@H](C)c1c(F)cccc1F ZINC000126156838 384776901 /nfs/dbraw/zinc/77/69/01/384776901.db2.gz LVNZJQZRDZUUNK-SSDOTTSWSA-N -1 0 229.226 2.136 20 0 BEADRM C[C@@H]1CCN(c2ncc(C(=O)[O-])s2)[C@H]1C ZINC000307118422 384748310 /nfs/dbraw/zinc/74/83/10/384748310.db2.gz QPKBJCNJOROOSR-RQJHMYQMSA-N -1 0 226.301 2.076 20 0 BEADRM CCc1csc(N[C@H](C(=O)[O-])C(C)C)n1 ZINC000061894121 384755790 /nfs/dbraw/zinc/75/57/90/384755790.db2.gz QYYOZQXVFXJVKW-QMMMGPOBSA-N -1 0 228.317 2.227 20 0 BEADRM CCc1nc(=NCCCC(C)(F)F)s[n-]1 ZINC000390029552 384825797 /nfs/dbraw/zinc/82/57/97/384825797.db2.gz YMISXTDGWGFVIS-UHFFFAOYSA-N -1 0 235.303 2.370 20 0 BEADRM CCCC1(CNc2ccc(C(=O)[O-])nn2)CC1 ZINC000233053014 259659785 /nfs/dbraw/zinc/65/97/85/259659785.db2.gz HOKUBSOROGPVPU-UHFFFAOYSA-N -1 0 235.287 2.167 20 0 BEADRM CC(C)[C@H](C)N(C)c1cccc(C(=O)[O-])n1 ZINC000051043028 384966588 /nfs/dbraw/zinc/96/65/88/384966588.db2.gz DVCFEOSBFVBUJD-VIFPVBQESA-N -1 0 222.288 2.261 20 0 BEADRM CC(C)[C@@H](NC(=O)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000058845425 385029425 /nfs/dbraw/zinc/02/94/25/385029425.db2.gz AQGHHBGTJWALGD-CMPLNLGQSA-N -1 0 249.310 2.016 20 0 BEADRM O=C([O-])c1cccnc1NC[C@@H]1C[C@H]1C1CC1 ZINC000647456603 385036743 /nfs/dbraw/zinc/03/67/43/385036743.db2.gz WIXITHFWNSMXJT-ONGXEEELSA-N -1 0 232.283 2.238 20 0 BEADRM O=C([O-])c1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)nc1 ZINC000647456541 385037898 /nfs/dbraw/zinc/03/78/98/385037898.db2.gz UHHRQWQVKFJNSV-DVVUODLYSA-N -1 0 232.283 2.380 20 0 BEADRM O=C([O-])c1cccnc1N1CCC[C@@H](C2CC2)C1 ZINC000647455343 385039116 /nfs/dbraw/zinc/03/91/16/385039116.db2.gz XGPJECKXKHWKPO-LLVKDONJSA-N -1 0 246.310 2.406 20 0 BEADRM O=C([O-])c1ccc(N2CCCC3(CC3)C2)nc1 ZINC000647452847 385040345 /nfs/dbraw/zinc/04/03/45/385040345.db2.gz NHNUPBWSADAENI-UHFFFAOYSA-N -1 0 232.283 2.160 20 0 BEADRM CC[C@H](Nc1ccnc2cc(F)cnc21)C(=O)[O-] ZINC000647458509 385044806 /nfs/dbraw/zinc/04/48/06/385044806.db2.gz KSBFVXYTVCWWSB-QMMMGPOBSA-N -1 0 249.245 2.044 20 0 BEADRM O=C([O-])[C@@H]1CC[C@H](Nc2ncccc2Cl)C1 ZINC000647459650 385045216 /nfs/dbraw/zinc/04/52/16/385045216.db2.gz SROBCYZFNMSJJS-SFYZADRCSA-N -1 0 240.690 2.400 20 0 BEADRM CCN(C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000061857670 385142627 /nfs/dbraw/zinc/14/26/27/385142627.db2.gz AKXARSLRJCERIQ-UHFFFAOYSA-N -1 0 236.271 2.177 20 0 BEADRM CC[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000167902126 385095330 /nfs/dbraw/zinc/09/53/30/385095330.db2.gz NINSHAISXWTMML-AXFHLTTASA-N -1 0 241.331 2.134 20 0 BEADRM Cc1ccc(C)c(C(=O)NC2(C(=O)[O-])CCC2)c1 ZINC000164844251 385315440 /nfs/dbraw/zinc/31/54/40/385315440.db2.gz PETOOEYNBSLMKH-UHFFFAOYSA-N -1 0 247.294 2.041 20 0 BEADRM C[C@@H]1C[C@H](C)CN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000164848896 385315829 /nfs/dbraw/zinc/31/58/29/385315829.db2.gz MAISDPRJKSOOKF-VHSXEESVSA-N -1 0 247.294 2.255 20 0 BEADRM O=C(C=C1CCC1)N[C@H](C(=O)[O-])c1ccccc1 ZINC000156485305 385454358 /nfs/dbraw/zinc/45/43/58/385454358.db2.gz LAYSVPYNUSHXKY-ZDUSSCGKSA-N -1 0 245.278 2.039 20 0 BEADRM CC(=O)Nc1n[nH]c(-c2cc3ccccc3o2)n1 ZINC000362250614 385464381 /nfs/dbraw/zinc/46/43/81/385464381.db2.gz MVYUVEWPMPGVFA-UHFFFAOYSA-N -1 0 242.238 2.176 20 0 BEADRM CCCC[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-] ZINC000643029541 385524588 /nfs/dbraw/zinc/52/45/88/385524588.db2.gz CKTKYRAJUKZEQN-MRVPVSSYSA-N -1 0 239.319 2.074 20 0 BEADRM O=C(c1ccc(Cl)cc1[O-])N1CCCCO1 ZINC000180906533 385555583 /nfs/dbraw/zinc/55/55/83/385555583.db2.gz GVVBDIMHXYALNR-UHFFFAOYSA-N -1 0 241.674 2.213 20 0 BEADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)[C@H](C)C(C)(C)C ZINC000061836323 385752509 /nfs/dbraw/zinc/75/25/09/385752509.db2.gz ZYRBHVSZQNPNBG-NXEZZACHSA-N -1 0 243.347 2.380 20 0 BEADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccccc1F ZINC000061834429 385753115 /nfs/dbraw/zinc/75/31/15/385753115.db2.gz MRYZDTPMXTYOPS-QMMMGPOBSA-N -1 0 239.246 2.265 20 0 BEADRM Clc1cccc(CCN=c2[n-]ncs2)c1 ZINC000336737029 385753580 /nfs/dbraw/zinc/75/35/80/385753580.db2.gz PSQZVVKRMLUWDW-UHFFFAOYSA-N -1 0 239.731 2.268 20 0 BEADRM CCCCCCNC(=O)c1cc(C(=O)[O-])co1 ZINC000183334633 385754001 /nfs/dbraw/zinc/75/40/01/385754001.db2.gz FYOCRUQQNYFNFU-UHFFFAOYSA-N -1 0 239.271 2.288 20 0 BEADRM C[C@@H](CSc1n[n-]c(=N)s1)C(F)(F)F ZINC000336690329 385724596 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364052762 /nfs/dbraw/zinc/05/27/62/364052762.db2.gz MMRBFTGZNXHPDR-JTQLQIEISA-N -1 0 249.266 2.040 20 0 BEADRM CCC(C)(C)CCNC(=O)C1CC(C(=O)[O-])C1 ZINC000630315029 364058185 /nfs/dbraw/zinc/05/81/85/364058185.db2.gz XSNWANKXGIKANJ-UHFFFAOYSA-N -1 0 241.331 2.040 20 0 BEADRM CC[C@H](C)CC(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC000630321349 364060175 /nfs/dbraw/zinc/06/01/75/364060175.db2.gz FJOXDGZYZSVTJX-JBLZRFIASA-N -1 0 239.315 2.031 20 0 BEADRM CC(C)CCC(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC000630325648 364060822 /nfs/dbraw/zinc/06/08/22/364060822.db2.gz QPQXMOCYSXTQBN-UHFFFAOYSA-N -1 0 239.315 2.031 20 0 BEADRM C[C@@H](CC1CCC1)NC(=O)CC(C)(C)C(=O)[O-] ZINC000630342463 364064603 /nfs/dbraw/zinc/06/46/03/364064603.db2.gz UQJPMTRCXMYJRW-VIFPVBQESA-N -1 0 241.331 2.182 20 0 BEADRM Cc1cc(NC(=O)CC(C)(C)C(=O)[O-])cs1 ZINC000630343001 364066336 /nfs/dbraw/zinc/06/63/36/364066336.db2.gz YRXAIUUMCNZRQM-UHFFFAOYSA-N -1 0 241.312 2.496 20 0 BEADRM C[C@]1(CNc2ncc(C(=O)[O-])s2)CC1(F)F ZINC000630462650 364173321 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CC(C)[C@H](C)OC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000824070480 587253293 /nfs/dbraw/zinc/25/32/93/587253293.db2.gz CMVHLQAOFFEQTG-GUBZILKMSA-N -1 0 243.303 2.010 20 0 BEADRM CC(C)CC(C)(C)C(=O)OCCCNC(=O)[O-] ZINC000824176856 587259284 /nfs/dbraw/zinc/25/92/84/587259284.db2.gz NWMOCUSMUWFULK-UHFFFAOYSA-N -1 0 245.319 2.260 20 0 BEADRM CC(C)CC1(C(=O)OCCNC(=O)[O-])CCC1 ZINC000824223522 587261411 /nfs/dbraw/zinc/26/14/11/587261411.db2.gz FWEOTYGKWVMEAG-UHFFFAOYSA-N -1 0 243.303 2.014 20 0 BEADRM O=C(NCC1=CCCC1)c1cccc(F)c1[O-] ZINC000825661470 587329814 /nfs/dbraw/zinc/32/98/14/587329814.db2.gz NPWHEXWYIIRCMX-UHFFFAOYSA-N -1 0 235.258 2.371 20 0 BEADRM CC1(C(=O)Oc2ccc(NC(=O)[O-])cc2)CC1 ZINC000825690995 587332742 /nfs/dbraw/zinc/33/27/42/587332742.db2.gz PSHQPMQNPYWQJC-UHFFFAOYSA-N -1 0 235.239 2.482 20 0 BEADRM C/C(=C\CN1CCc2ccc(C)cc21)C(=O)[O-] ZINC000825746179 587336378 /nfs/dbraw/zinc/33/63/78/587336378.db2.gz FXCWGYXMWJSJMM-VZUCSPMQSA-N -1 0 231.295 2.388 20 0 BEADRM C/C(=C\COC(=O)C1(C)CCCC1)C(=O)[O-] ZINC000825751588 587336805 /nfs/dbraw/zinc/33/68/05/587336805.db2.gz AFLBNRDFXJHSFK-WEVVVXLNSA-N -1 0 226.272 2.141 20 0 BEADRM C/C(=C/COC(=O)C1C(C)(C)C1(C)C)C(=O)[O-] ZINC000825752144 587336911 /nfs/dbraw/zinc/33/69/11/587336911.db2.gz JIVXWOLIYAOKKV-VURMDHGXSA-N -1 0 240.299 2.243 20 0 BEADRM C/C(=C\COC(=O)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000825752954 587337225 /nfs/dbraw/zinc/33/72/25/587337225.db2.gz POISIUFLGULPKI-BNICOGTQSA-N -1 0 228.288 2.243 20 0 BEADRM C/C(=C/COC(=O)C[C@@H]1CC[C@H](C)C1)C(=O)[O-] ZINC000825758284 587337594 /nfs/dbraw/zinc/33/75/94/587337594.db2.gz GYMBPNJLMSLGPG-QEBWYVITSA-N -1 0 240.299 2.387 20 0 BEADRM C/C(=C\COC(=O)c1cc(C)cc(C)c1)C(=O)[O-] ZINC000825768994 587338137 /nfs/dbraw/zinc/33/81/37/587338137.db2.gz FIBXDLCLOSLLQU-NYYWCZLTSA-N -1 0 248.278 2.491 20 0 BEADRM C/C(=C\COC(=O)c1ccc(Cl)o1)C(=O)[O-] ZINC000825775148 587338444 /nfs/dbraw/zinc/33/84/44/587338444.db2.gz LCZNZZWURHPUNU-GQCTYLIASA-N -1 0 244.630 2.121 20 0 BEADRM C/C(=C\COC(=O)c1cccc(C)c1)C(=O)[O-] ZINC000825780455 587338698 /nfs/dbraw/zinc/33/86/98/587338698.db2.gz FJOQDJFROYDXSB-UXBLZVDNSA-N -1 0 234.251 2.183 20 0 BEADRM C[C@@H](NC(=O)[O-])C(=O)OC1C[C@H](C)C[C@@H](C)C1 ZINC000825783816 587338772 /nfs/dbraw/zinc/33/87/72/587338772.db2.gz PFXKQVKXZKLGGT-IWSPIJDZSA-N -1 0 243.303 2.010 20 0 BEADRM CC(=O)CS[C@@H](C(=O)[O-])c1ccccc1F ZINC000825813122 587340427 /nfs/dbraw/zinc/34/04/27/587340427.db2.gz FQMPZBORRGJQEJ-SNVBAGLBSA-N -1 0 242.271 2.274 20 0 BEADRM C[C@H]1CC[C@@H](CC(=O)OCCCNC(=O)[O-])C1 ZINC000825873816 587343285 /nfs/dbraw/zinc/34/32/85/587343285.db2.gz WSDWLYQQBSNXNQ-VHSXEESVSA-N -1 0 243.303 2.014 20 0 BEADRM CCC(CC)CC(=O)O[C@H]1CCN(C(=O)[O-])C1 ZINC000826572074 587355229 /nfs/dbraw/zinc/35/52/29/587355229.db2.gz RDNIVCKDYJETFX-JTQLQIEISA-N -1 0 243.303 2.108 20 0 BEADRM CCC(CC)OC(=O)CC(C)(C)NC(=O)[O-] ZINC000826576719 587355669 /nfs/dbraw/zinc/35/56/69/587355669.db2.gz ZGCICZQNXKHJSY-UHFFFAOYSA-N -1 0 231.292 2.155 20 0 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ZINC001605121481 979820321 /nfs/dbraw/zinc/82/03/21/979820321.db2.gz ZSVGXVLAQYFBHQ-JTQLQIEISA-N -1 0 248.234 2.453 20 0 BEADRM CC/C=C/[C@@H](OC(=O)c1cc(C)co1)C(=O)[O-] ZINC001605184046 979829367 /nfs/dbraw/zinc/82/93/67/979829367.db2.gz JRZOPKSTWKMPJH-XNPJLODASA-N -1 0 238.239 2.164 20 0 BEADRM CC/C=C\[C@@H](OC(=O)C1(F)CCCC1)C(=O)[O-] ZINC001605183763 979830779 /nfs/dbraw/zinc/83/07/79/979830779.db2.gz FFAHTDJRTYJTFE-JVBZPZKUSA-N -1 0 244.262 2.231 20 0 BEADRM CC/C=C(/F)C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC001605184198 979833507 /nfs/dbraw/zinc/83/35/07/979833507.db2.gz MHMBULSRDVCFKG-LXSSAFMLSA-N -1 0 231.267 2.009 20 0 BEADRM CCC/C=C\C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001605229093 979839866 /nfs/dbraw/zinc/83/98/66/979839866.db2.gz GIGSPQXWPBPTDM-ADRPCIBZSA-N -1 0 239.315 2.054 20 0 BEADRM Cc1cc2cc[nH]c2cc1NC(=O)[C@@H](C)C(=O)[O-] ZINC001605233375 979842962 /nfs/dbraw/zinc/84/29/62/979842962.db2.gz VWJIZCIBFPPZKU-MRVPVSSYSA-N -1 0 246.266 2.136 20 0 BEADRM 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/nfs/dbraw/zinc/09/74/02/982097402.db2.gz ARJPFNAQINSFFV-UHFFFAOYSA-N -1 0 230.267 2.475 20 0 BEADRM Cc1cc(-c2ccccc2O)nnc1C ZINC001241007675 982097862 /nfs/dbraw/zinc/09/78/62/982097862.db2.gz ILYCYDDLXYLWAF-UHFFFAOYSA-N -1 0 200.241 2.466 20 0 BEADRM CCN(C)c1cc(-c2ccccc2O)ncn1 ZINC001241007708 982098244 /nfs/dbraw/zinc/09/82/44/982098244.db2.gz JZOCMISJRSQATM-UHFFFAOYSA-N -1 0 229.283 2.305 20 0 BEADRM CN(C)C(=O)c1ccnc(-c2ccccc2O)c1 ZINC001241007672 982098260 /nfs/dbraw/zinc/09/82/60/982098260.db2.gz IIVTYARMCZYBFS-UHFFFAOYSA-N -1 0 242.278 2.156 20 0 BEADRM [O-]c1ccccc1-c1nnc2ccccc2n1 ZINC001241009781 982100694 /nfs/dbraw/zinc/10/06/94/982100694.db2.gz XBJLGVCPHDIXMO-UHFFFAOYSA-N -1 0 223.235 2.397 20 0 BEADRM CON(C(=O)c1cccc(Cl)c1[O-])C(C)C ZINC001350924098 982124356 /nfs/dbraw/zinc/12/43/56/982124356.db2.gz OOKCDFYONYRHCK-UHFFFAOYSA-N -1 0 243.690 2.458 20 0 BEADRM CC/C(C)=C/C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001594860267 982135287 /nfs/dbraw/zinc/13/52/87/982135287.db2.gz AVHTYINNIWRHHT-FSZCPTMNSA-N -1 0 239.315 2.102 20 0 BEADRM CC[C@@H](C)C(=O)N1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001594865016 982162913 /nfs/dbraw/zinc/16/29/13/982162913.db2.gz ROOSHHSNXWBMSP-CHWFTXMASA-N -1 0 241.331 2.133 20 0 BEADRM CC/C(C)=C/C(=O)OCc1ccoc1C(=O)[O-] ZINC001594865550 982168534 /nfs/dbraw/zinc/16/85/34/982168534.db2.gz WDGRDESQCXZQTA-SOFGYWHQSA-N -1 0 238.239 2.377 20 0 BEADRM CC[C@H](C)C(=O)O[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001594865810 982170681 /nfs/dbraw/zinc/17/06/81/982170681.db2.gz LBMHATPETFPYMZ-GUBZILKMSA-N -1 0 228.288 2.219 20 0 BEADRM C=C/C(C)=C/CC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001588451169 982225330 /nfs/dbraw/zinc/22/53/30/982225330.db2.gz OENOXORTNJDDAV-RUDMXATFSA-N -1 0 246.266 2.241 20 0 BEADRM CC[C@H](C)[C@@H](C)C(=O)OC1CC(C(=O)[O-])C1 ZINC001594881088 982234267 /nfs/dbraw/zinc/23/42/67/982234267.db2.gz MQMOENFWMFRSSA-AFWXGSBKSA-N -1 0 228.288 2.075 20 0 BEADRM C/C(=C/c1ccco1)c1nc([C@@H](C)C(=O)[O-])no1 ZINC001588486894 982268826 /nfs/dbraw/zinc/26/88/26/982268826.db2.gz ANJDRTQZCOGFSC-NFXKFNAJSA-N -1 0 248.238 2.411 20 0 BEADRM Nc1cc(-c2ccccc2C(=O)[O-])ccn1 ZINC001241163859 982308144 /nfs/dbraw/zinc/30/81/44/982308144.db2.gz RAEPXYOGEBVZLM-UHFFFAOYSA-N -1 0 214.224 2.029 20 0 BEADRM [CH2]CCNC(=S)Nc1ccc(OC)cc1 ZINC001195725516 982334690 /nfs/dbraw/zinc/33/46/90/982334690.db2.gz XVSSXHKYMVCPSP-UHFFFAOYSA-N -1 0 223.321 2.206 20 0 BEADRM C[C@@H](C(=O)[O-])c1noc(-c2occ3c2CCC3)n1 ZINC001588604409 982344303 /nfs/dbraw/zinc/34/43/03/982344303.db2.gz UWKVLVKJMUYHFY-ZCFIWIBFSA-N -1 0 248.238 2.006 20 0 BEADRM C[C@@H](C(=O)[O-])c1noc([C@@H]2CC23CCCC3)n1 ZINC001588602350 982344676 /nfs/dbraw/zinc/34/46/76/982344676.db2.gz HBCJKJRHEYGEAN-SFYZADRCSA-N -1 0 236.271 2.305 20 0 BEADRM C[C@@H](c1nc([C@H](C)C(=O)[O-])no1)c1ccccc1 ZINC001588602622 982344784 /nfs/dbraw/zinc/34/47/84/982344784.db2.gz OHGAZDNFQYMTJG-BDAKNGLRSA-N -1 0 246.266 2.410 20 0 BEADRM C[C@H](C(=O)[O-])c1noc(C[C@@H]2C=CCCC2)n1 ZINC001588601373 982346004 /nfs/dbraw/zinc/34/60/04/982346004.db2.gz DCMHCSKYXHJVTF-DTWKUNHWSA-N -1 0 236.271 2.157 20 0 BEADRM C[C@H](C(=O)[O-])c1noc([C@]2(C)CCC[C@@H]2C)n1 ZINC001588602730 982346480 /nfs/dbraw/zinc/34/64/80/982346480.db2.gz KYNZZVBJHIULMV-YVZVNANGSA-N -1 0 238.287 2.335 20 0 BEADRM CC(C)(C)C1CC(c2nc(CC(=O)[O-])no2)C1 ZINC001588639207 982371953 /nfs/dbraw/zinc/37/19/53/982371953.db2.gz MBRIFUOVFBLJPY-UHFFFAOYSA-N -1 0 238.287 2.236 20 0 BEADRM Cc1cc(-c2ccncc2F)cnc1C(=O)[O-] ZINC001241227949 982376666 /nfs/dbraw/zinc/37/66/66/982376666.db2.gz OAYDUOXWBGGDPB-UHFFFAOYSA-N -1 0 232.214 2.289 20 0 BEADRM Cc1cc(-c2cc(O)cc(F)c2)cnc1C(N)=O ZINC001241282131 982419115 /nfs/dbraw/zinc/41/91/15/982419115.db2.gz IJTZKRWXDVNMFH-UHFFFAOYSA-N -1 0 246.241 2.001 20 0 BEADRM CN(C(=O)c1cc(Cl)ncc1[O-])C(C)(C)C ZINC001196394616 982447062 /nfs/dbraw/zinc/44/70/62/982447062.db2.gz CZCJRNWNHGDXJE-UHFFFAOYSA-N -1 0 242.706 2.311 20 0 BEADRM O=C(Nc1ccccn1)c1cccc(F)c1[O-] ZINC001352066508 982451139 /nfs/dbraw/zinc/45/11/39/982451139.db2.gz IHPKTNNCMSKLMG-UHFFFAOYSA-N -1 0 232.214 2.179 20 0 BEADRM CC[C@@H](C)[C@@H](Nc1cccc(CO)c1)C(=O)[O-] ZINC001594921602 982471321 /nfs/dbraw/zinc/47/13/21/982471321.db2.gz SFPWGDBVEVUZEZ-BXKDBHETSA-N -1 0 237.299 2.090 20 0 BEADRM CCn1[n-]c(-c2cccc(OC)c2)cc1=O ZINC000716801851 982479290 /nfs/dbraw/zinc/47/92/90/982479290.db2.gz DZUCJNFMTDMCLA-UHFFFAOYSA-N -1 0 218.256 2.284 20 0 BEADRM CC[C@H](C)[C@H](OC(=O)[C@H]1C[C@H]2C[C@H]2C1)C(=O)[O-] ZINC001594925133 982500602 /nfs/dbraw/zinc/50/06/02/982500602.db2.gz SCLICPISRYWOEG-DAWVFNFOSA-N -1 0 240.299 2.075 20 0 BEADRM CC(C)[C@H](F)C(=O)Nc1ccccc1C(=O)[O-] ZINC001588834267 982501156 /nfs/dbraw/zinc/50/11/56/982501156.db2.gz VKHNMSZBECFBSE-JTQLQIEISA-N -1 0 239.246 2.317 20 0 BEADRM CC(C)[C@@H](F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001588834251 982502389 /nfs/dbraw/zinc/50/23/89/982502389.db2.gz VETVINBTNWDWAQ-SNVBAGLBSA-N -1 0 239.246 2.317 20 0 BEADRM CC[C@H](C)[C@H](OC(=O)c1cc(C)co1)C(=O)[O-] ZINC001594925594 982503808 /nfs/dbraw/zinc/50/38/08/982503808.db2.gz UQOKWFHSWLYLIV-WPRPVWTQSA-N -1 0 240.255 2.244 20 0 BEADRM CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001588840722 982505456 /nfs/dbraw/zinc/50/54/56/982505456.db2.gz CJLAMKCCUVTGBW-VHSXEESVSA-N -1 0 248.282 2.010 20 0 BEADRM CCc1cncnc1-c1cccc(C(=O)[O-])c1 ZINC001241356856 982513157 /nfs/dbraw/zinc/51/31/57/982513157.db2.gz BZTJFMXAZZRYOC-UHFFFAOYSA-N -1 0 228.251 2.404 20 0 BEADRM CC(C)CCCC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001588867564 982515925 /nfs/dbraw/zinc/51/59/25/982515925.db2.gz SXJQZVVHGYNAEB-JTQLQIEISA-N -1 0 241.331 2.277 20 0 BEADRM O=C([O-])c1cccc(-c2ccc3n[nH]nc3c2)c1 ZINC001241359394 982516026 /nfs/dbraw/zinc/51/60/26/982516026.db2.gz ONTCGJKUTODDMJ-UHFFFAOYSA-N -1 0 239.234 2.323 20 0 BEADRM CCOc1ncc(-c2cccc(C(=O)[O-])c2)cn1 ZINC001241359417 982516283 /nfs/dbraw/zinc/51/62/83/982516283.db2.gz PLSDNGLEZKPZNS-UHFFFAOYSA-N -1 0 244.250 2.241 20 0 BEADRM O=C([O-])c1cccc(-c2cccn3ncnc23)c1 ZINC001241359594 982517034 /nfs/dbraw/zinc/51/70/34/982517034.db2.gz PFCGTJXQTJDANZ-UHFFFAOYSA-N -1 0 239.234 2.095 20 0 BEADRM Cc1cc(-c2cccc(C(=O)[O-])c2)cc(=O)o1 ZINC001241358933 982517083 /nfs/dbraw/zinc/51/70/83/982517083.db2.gz QLONGVOBSRFZMK-UHFFFAOYSA-N -1 0 230.219 2.313 20 0 BEADRM CC(C)CCCCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001588867387 982517559 /nfs/dbraw/zinc/51/75/59/982517559.db2.gz FUZBMZHLNDJDOU-NSHDSACASA-N -1 0 241.331 2.136 20 0 BEADRM CC(C)CCOC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001588868005 982517806 /nfs/dbraw/zinc/51/78/06/982517806.db2.gz RHPGZKORKZOBPS-ZJUUUORDSA-N -1 0 243.303 2.012 20 0 BEADRM C=Cc1ncc(-c2cccc(C(=O)[O-])c2)cn1 ZINC001241361581 982518110 /nfs/dbraw/zinc/51/81/10/982518110.db2.gz CWMUOWUZBLXZTB-UHFFFAOYSA-N -1 0 226.235 2.485 20 0 BEADRM CC(C)OC1CC(SCCC(=O)[O-])C1 ZINC001588933841 982535139 /nfs/dbraw/zinc/53/51/39/982535139.db2.gz ZDLPDQBMQUTOTA-UHFFFAOYSA-N -1 0 218.318 2.150 20 0 BEADRM CC[C@H](C)[C@H](S[C@@H]1CCO[C@@H]1C)C(=O)[O-] ZINC001594928358 982536227 /nfs/dbraw/zinc/53/62/27/982536227.db2.gz HFZFVVNTCUBRPF-JLIMGVALSA-N -1 0 232.345 2.396 20 0 BEADRM CC[C@H](C)[C@@H](SC[C@H]1CCCO1)C(=O)[O-] ZINC001594928376 982536339 /nfs/dbraw/zinc/53/63/39/982536339.db2.gz HRIHEFSTKPEDDK-IVZWLZJFSA-N -1 0 232.345 2.398 20 0 BEADRM CC[C@@H](C)[C@@H](SC1CCOCC1)C(=O)[O-] ZINC001594928430 982537580 /nfs/dbraw/zinc/53/75/80/982537580.db2.gz IHRGHEKRTYVKEX-PSASIEDQSA-N -1 0 232.345 2.398 20 0 BEADRM CC[C@@H](C)[C@H](Sc1ncc[nH]1)C(=O)[O-] ZINC001594929867 982550185 /nfs/dbraw/zinc/55/01/85/982550185.db2.gz VIVQOBXKULWYSI-RQJHMYQMSA-N -1 0 214.290 2.001 20 0 BEADRM C[C@@H](CC(C)(C)C)NC(=O)C1(C(=O)[O-])CCC1 ZINC001589007225 982571775 /nfs/dbraw/zinc/57/17/75/982571775.db2.gz KVXFEUYNNKYUFQ-VIFPVBQESA-N -1 0 241.331 2.182 20 0 BEADRM CC(C)c1cnc(C[NH2+][C@H](C)CC(=O)[O-])s1 ZINC001589009208 982573399 /nfs/dbraw/zinc/57/33/99/982573399.db2.gz KIIGKDDVUZTTLS-MRVPVSSYSA-N -1 0 242.344 2.219 20 0 BEADRM CC[C@H](C)CC(=O)O[C@H](CC(C)C)C(=O)[O-] ZINC001594933898 982574574 /nfs/dbraw/zinc/57/45/74/982574574.db2.gz BJANQWNXFIHXRY-VHSXEESVSA-N -1 0 230.304 2.465 20 0 BEADRM CC[C@H](C)CC(=O)O[C@H]1C=CC[C@@H](C(=O)[O-])C1 ZINC001594934529 982579591 /nfs/dbraw/zinc/57/95/91/982579591.db2.gz KVELDYMTVFZOAE-AXFHLTTASA-N -1 0 240.299 2.385 20 0 BEADRM CC[C@@H](C)CC(=O)OC1CC(CC(=O)[O-])C1 ZINC001594934670 982582421 /nfs/dbraw/zinc/58/24/21/982582421.db2.gz ODYNAHGKPNDKJZ-XNWIYYODSA-N -1 0 228.288 2.219 20 0 BEADRM CCCCS[C@@H](C)C(=O)O[C@H](C)CC(=O)[O-] ZINC001595789443 982589608 /nfs/dbraw/zinc/58/96/08/982589608.db2.gz ZBTIPMBYTJGMHV-BDAKNGLRSA-N -1 0 248.344 2.315 20 0 BEADRM CCCCc1nc(CS[C@H](C)C(=O)[O-])no1 ZINC001595798267 982609914 /nfs/dbraw/zinc/60/99/14/982609914.db2.gz APXMTUYFSPYFSO-SSDOTTSWSA-N -1 0 244.316 2.119 20 0 BEADRM CCCCn1ncc(N[C@@H](CC)C(=O)[O-])c1C ZINC001595809770 982640208 /nfs/dbraw/zinc/64/02/08/982640208.db2.gz BPDDGLQLNREJBD-JTQLQIEISA-N -1 0 239.319 2.267 20 0 BEADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Oc1ccccc1 ZINC001589220348 982666703 /nfs/dbraw/zinc/66/67/03/982666703.db2.gz QVEIHBDYOIJMAL-CYBMUJFWSA-N -1 0 234.251 2.093 20 0 BEADRM CC1(C)C[C@@H]1c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001589219354 982669081 /nfs/dbraw/zinc/66/90/81/982669081.db2.gz AEIHRRVFFAUYJP-SSDOTTSWSA-N -1 0 236.271 2.089 20 0 BEADRM CC1(C)CCC[C@H](c2nc(CC(=O)[O-])no2)C1 ZINC001589225914 982670900 /nfs/dbraw/zinc/67/09/00/982670900.db2.gz OBFXNKQGVWNVAV-QMMMGPOBSA-N -1 0 238.287 2.381 20 0 BEADRM CC1(C)CN(CC(=O)[O-])[C@@H]1c1cccs1 ZINC001589231534 982671338 /nfs/dbraw/zinc/67/13/38/982671338.db2.gz TTXDHCAJJMVDQK-SNVBAGLBSA-N -1 0 225.313 2.216 20 0 BEADRM O=C([O-])c1c(F)cc(Nc2ccon2)cc1F ZINC001203315723 982699364 /nfs/dbraw/zinc/69/93/64/982699364.db2.gz AJJLNENDBADBRP-UHFFFAOYSA-N -1 0 240.165 2.395 20 0 BEADRM C[C@H]1CC[C@H](C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC001589299010 982705323 /nfs/dbraw/zinc/70/53/23/982705323.db2.gz GEKYFFOEDYVLOK-UWVGGRQHSA-N -1 0 241.331 2.040 20 0 BEADRM C[C@@H]1CC[C@H](OC(=O)[C@@H](C(=O)[O-])C(C)(C)C)C1 ZINC001589313390 982711485 /nfs/dbraw/zinc/71/14/85/982711485.db2.gz RUCIIOIYQXFDII-KXUCPTDWSA-N -1 0 242.315 2.465 20 0 BEADRM C[C@@H]1CC[C@@H](C(=O)NC(C)(C)C(=O)[O-])C[C@@H]1C ZINC001589299269 982713950 /nfs/dbraw/zinc/71/39/50/982713950.db2.gz IXZGJZPRBJRQEG-KXUCPTDWSA-N -1 0 241.331 2.038 20 0 BEADRM C[C@@H](C(=O)[O-])C(=O)O[C@H]1CC[C@@H](C)C[C@H]1C ZINC001589313398 982715540 /nfs/dbraw/zinc/71/55/40/982715540.db2.gz SAKNQTZDKWEYMU-IMSYWVGJSA-N -1 0 228.288 2.075 20 0 BEADRM C[C@@H]1CC[C@H](OC(=O)[C@H](C(=O)[O-])C(C)(C)C)C1 ZINC001589313392 982715713 /nfs/dbraw/zinc/71/57/13/982715713.db2.gz RUCIIOIYQXFDII-UTLUCORTSA-N -1 0 242.315 2.465 20 0 BEADRM CC[C@H](C)COC(=O)C[C@@H](C)CC(=O)[O-] ZINC001594964499 982718922 /nfs/dbraw/zinc/71/89/22/982718922.db2.gz JTGAWQAROLUGJM-IUCAKERBSA-N -1 0 216.277 2.077 20 0 BEADRM CCCN(C)c1ccccc1NCC(=O)[O-] ZINC001595839169 982749794 /nfs/dbraw/zinc/74/97/94/982749794.db2.gz AGVGGTGSQVRBEA-UHFFFAOYSA-N -1 0 222.288 2.029 20 0 BEADRM C/C=C(/CC)C(=O)NCc1ccccc1C(=O)[O-] ZINC001589421053 982777432 /nfs/dbraw/zinc/77/74/32/982777432.db2.gz WYLXRRDPPJHLJR-KMKOMSMNSA-N -1 0 247.294 2.357 20 0 BEADRM C/C=C(/C=C/C(=O)N(CC)[C@@H](C)C(=O)[O-])CC ZINC001589420801 982777664 /nfs/dbraw/zinc/77/76/64/982777664.db2.gz RUTFWARIRURPEU-INNHCFLZSA-N -1 0 239.315 2.221 20 0 BEADRM CC/C(C)=C\c1nc([C@H](C)C(=O)[O-])no1 ZINC001589455714 982803123 /nfs/dbraw/zinc/80/31/23/982803123.db2.gz OPZDXGHIOJOPPL-RBSILHGTSA-N -1 0 210.233 2.071 20 0 BEADRM CC/C(C)=C/C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001589455687 982805167 /nfs/dbraw/zinc/80/51/67/982805167.db2.gz OAJGSDVQWFSMNL-JXMROGBWSA-N -1 0 241.331 2.302 20 0 BEADRM CC[C@@H](C)[C@@H](C)C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001589455804 982806563 /nfs/dbraw/zinc/80/65/63/982806563.db2.gz TVZPVRVWYPVRHV-GWOFURMSSA-N -1 0 241.331 2.133 20 0 BEADRM CC[C@@H](CC(F)F)c1nc([C@@H](C)C(=O)[O-])no1 ZINC001589467397 982807264 /nfs/dbraw/zinc/80/72/64/982807264.db2.gz RXCIVXIXWUIHCU-RITPCOANSA-N -1 0 248.229 2.407 20 0 BEADRM CC[C@@H](C)c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001589465609 982809420 /nfs/dbraw/zinc/80/94/20/982809420.db2.gz YURRPUAJOZMXOD-SSDOTTSWSA-N -1 0 224.260 2.089 20 0 BEADRM CC[C@H](CC(F)F)c1nc([C@@H](C)C(=O)[O-])no1 ZINC001589467395 982809894 /nfs/dbraw/zinc/80/98/94/982809894.db2.gz RXCIVXIXWUIHCU-PHDIDXHHSA-N -1 0 248.229 2.407 20 0 BEADRM CC[C@H](Cc1nc([C@H](C)C(=O)[O-])no1)C(C)C ZINC001589561654 982827811 /nfs/dbraw/zinc/82/78/11/982827811.db2.gz BZBIHALNFQSQIZ-DTWKUNHWSA-N -1 0 240.303 2.482 20 0 BEADRM CC[C@H](OC(=O)/C(C)=C/c1ccco1)C(=O)[O-] ZINC001589575271 982836133 /nfs/dbraw/zinc/83/61/33/982836133.db2.gz GHZJQTRMAXJEAQ-JARNTUPDSA-N -1 0 238.239 2.089 20 0 BEADRM CC[C@H](OC(=O)c1sccc1C)C(=O)[O-] ZINC001589587190 982841379 /nfs/dbraw/zinc/84/13/79/982841379.db2.gz NGPLPHCUADYMJN-ZETCQYMHSA-N -1 0 228.269 2.077 20 0 BEADRM CCC/C(C)=C\C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001589633455 982853784 /nfs/dbraw/zinc/85/37/84/982853784.db2.gz CIWANDOCPFUVCG-DLXGREBBSA-N -1 0 239.315 2.197 20 0 BEADRM CCN(C(=O)[C@@H](C)C(=O)[O-])c1ccc(C)cc1C ZINC001589697786 982865619 /nfs/dbraw/zinc/86/56/19/982865619.db2.gz CYAJVUQJLSIWAC-LLVKDONJSA-N -1 0 249.310 2.377 20 0 BEADRM CCCN(Cc1ccc(C(=O)[O-])[nH]1)CC(F)F ZINC001595889079 982920149 /nfs/dbraw/zinc/92/01/49/982920149.db2.gz YBYKBBCWPGDROI-UHFFFAOYSA-N -1 0 246.257 2.190 20 0 BEADRM CCSCc1ccc(-c2nn[nH]n2)c(C)c1 ZINC001590853914 982998185 /nfs/dbraw/zinc/99/81/85/982998185.db2.gz RYVMHMQTXYAQAG-UHFFFAOYSA-N -1 0 234.328 2.428 20 0 BEADRM CC[C@@H]1C[C@H]1COc1cccc(-c2nn[nH]n2)c1 ZINC001590860348 983003606 /nfs/dbraw/zinc/00/36/06/983003606.db2.gz OQMZHXYYAXMAAD-KOLCDFICSA-N -1 0 244.298 2.292 20 0 BEADRM Nc1cccnc1Nc1ccc(CC(=O)[O-])cc1 ZINC000082307943 983009003 /nfs/dbraw/zinc/00/90/03/983009003.db2.gz HJJWDQLDQFBVLD-UHFFFAOYSA-N -1 0 243.266 2.035 20 0 BEADRM S=C(NC1=CC=C[CH]1)Nc1cccnc1 ZINC001199908900 983042126 /nfs/dbraw/zinc/04/21/26/983042126.db2.gz DKRNVERRHKFPAM-UHFFFAOYSA-N -1 0 216.289 2.026 20 0 BEADRM O=C([O-])c1cncc(-c2ccc(C3CC3)nn2)c1 ZINC001241800200 983051618 /nfs/dbraw/zinc/05/16/18/983051618.db2.gz NKBGSDRYMMBAIO-UHFFFAOYSA-N -1 0 241.250 2.114 20 0 BEADRM C=Cc1ccc(-c2cncc(C(=O)[O-])c2)nc1 ZINC001241799711 983052858 /nfs/dbraw/zinc/05/28/58/983052858.db2.gz DWINYMPRLQTWDQ-UHFFFAOYSA-N -1 0 226.235 2.485 20 0 BEADRM O=C([O-])c1cncc(-c2ccc3c(n2)CCC3)c1 ZINC001241800383 983053231 /nfs/dbraw/zinc/05/32/31/983053231.db2.gz SLOYTWDHQSLWCN-UHFFFAOYSA-N -1 0 240.262 2.331 20 0 BEADRM O=C([O-])c1cncc(-c2ccc3[nH]ccc3n2)c1 ZINC001241797536 983053627 /nfs/dbraw/zinc/05/36/27/983053627.db2.gz LOUAQRMVAFNVMG-UHFFFAOYSA-N -1 0 239.234 2.323 20 0 BEADRM Cc1ccnc(-c2cncc(C(=O)[O-])c2)c1C ZINC001241799824 983055203 /nfs/dbraw/zinc/05/52/03/983055203.db2.gz FNADKNPAMGNNNM-UHFFFAOYSA-N -1 0 228.251 2.459 20 0 BEADRM COc1nccc(-c2cncc(C(=O)[O-])c2)c1C ZINC001241802516 983056881 /nfs/dbraw/zinc/05/68/81/983056881.db2.gz HQLQTOFGXPJNHX-UHFFFAOYSA-N -1 0 244.250 2.159 20 0 BEADRM Cc1ccnc(F)c1-c1cncc(C(=O)[O-])c1 ZINC001241803859 983058918 /nfs/dbraw/zinc/05/89/18/983058918.db2.gz XMRKNBMWYJAIBC-UHFFFAOYSA-N -1 0 232.214 2.289 20 0 BEADRM COc1cnc(C)c(-c2cncc(C(=O)[O-])c2)c1 ZINC001241804294 983060324 /nfs/dbraw/zinc/06/03/24/983060324.db2.gz MQZUDNSUPIOCTE-UHFFFAOYSA-N -1 0 244.250 2.159 20 0 BEADRM CNc1ccnc(-c2cc(F)cc(C(=O)[O-])c2)n1 ZINC001241817668 983074042 /nfs/dbraw/zinc/07/40/42/983074042.db2.gz XUQLEQGUJNHZJL-UHFFFAOYSA-N -1 0 247.229 2.023 20 0 BEADRM Cc1cnc(-c2cc(F)cc(C(=O)[O-])c2)c(N)c1 ZINC001241823583 983076860 /nfs/dbraw/zinc/07/68/60/983076860.db2.gz MCXMMBSRPMFTHZ-UHFFFAOYSA-N -1 0 246.241 2.477 20 0 BEADRM CCO[C@H](CS[C@H](CC)C(=O)[O-])C1CC1 ZINC001591728182 983084903 /nfs/dbraw/zinc/08/49/03/983084903.db2.gz BIFQRUINIFHJOA-NXEZZACHSA-N -1 0 232.345 2.398 20 0 BEADRM COc1ccc(-c2cncc(C)n2)cc1C(=O)[O-] ZINC001241854893 983086070 /nfs/dbraw/zinc/08/60/70/983086070.db2.gz NKHOZVLHPBTQSY-UHFFFAOYSA-N -1 0 244.250 2.159 20 0 BEADRM CC(C)SCSc1nc(C(=O)[O-])c[nH]1 ZINC001591828798 983092734 /nfs/dbraw/zinc/09/27/34/983092734.db2.gz XGDTZFUFWODWIN-UHFFFAOYSA-N -1 0 232.330 2.299 20 0 BEADRM CCOCCCS[C@H](C(=O)[O-])C1CC1 ZINC001591876758 983103408 /nfs/dbraw/zinc/10/34/08/983103408.db2.gz CTHCYCIEAWHHEL-VIFPVBQESA-N -1 0 218.318 2.009 20 0 BEADRM C[C@H](/C=C/C(=O)[O-])NC(=O)CCCC(C)(C)C ZINC001592193072 983118709 /nfs/dbraw/zinc/11/87/09/983118709.db2.gz PTKONFOEGASYJD-QROSGCPLSA-N -1 0 241.331 2.348 20 0 BEADRM CCCC(=CC(=O)NC1(C(=O)[O-])CC1)CCC ZINC001354047194 983121845 /nfs/dbraw/zinc/12/18/45/983121845.db2.gz NBMAKQCZFYNRME-UHFFFAOYSA-N -1 0 239.315 2.246 20 0 BEADRM C[C@H](CC(=O)[O-])CC(=O)O[C@@H]1CC[C@@H](C)C1 ZINC001592396092 983157033 /nfs/dbraw/zinc/15/70/33/983157033.db2.gz SANMGKFWJJARHN-OPRDCNLKSA-N -1 0 228.288 2.219 20 0 BEADRM C[C@@H](S[C@@H](C)CC(=O)[O-])c1csnn1 ZINC001592421000 983158610 /nfs/dbraw/zinc/15/86/10/983158610.db2.gz PCCPYXDYJRRQBZ-NTSWFWBYSA-N -1 0 232.330 2.196 20 0 BEADRM C=Cc1cccc(-c2cncc(C(=O)[O-])n2)c1 ZINC001241941820 983158469 /nfs/dbraw/zinc/15/84/69/983158469.db2.gz HJYHOIZOWUPWRL-UHFFFAOYSA-N -1 0 226.235 2.485 20 0 BEADRM C[C@@H](CC(=O)OC1CC(CC(=O)[O-])C1)C1CC1 ZINC001592428726 983160384 /nfs/dbraw/zinc/16/03/84/983160384.db2.gz GKZYPJXYDQBKAY-SILCLGDVSA-N -1 0 240.299 2.219 20 0 BEADRM C[C@H](CC(=O)[O-])OC(=O)[C@@H](C)CC(C)(C)C ZINC001592444255 983166118 /nfs/dbraw/zinc/16/61/18/983166118.db2.gz MOHIJAHSRKSCID-DTWKUNHWSA-N -1 0 230.304 2.465 20 0 BEADRM C=Cc1ccccc1-c1ccc(C(=O)[O-])nn1 ZINC001242000379 983192082 /nfs/dbraw/zinc/19/20/82/983192082.db2.gz GXNBCQIIQXJOCJ-UHFFFAOYSA-N -1 0 226.235 2.485 20 0 BEADRM C[C@H](CO)CNc1cc(C(=O)[O-])ccc1Cl ZINC001592759139 983199576 /nfs/dbraw/zinc/19/95/76/983199576.db2.gz ZRFFSSNFNBZCED-ZETCQYMHSA-N -1 0 243.690 2.079 20 0 BEADRM CC(F)(F)CCC(=O)OCCCCC(=O)[O-] ZINC001592938978 983218084 /nfs/dbraw/zinc/21/80/84/983218084.db2.gz JNXFZRRKAGQXKL-UHFFFAOYSA-N -1 0 238.230 2.220 20 0 BEADRM C[C@@H](CO)CS[C@@H](C(=O)[O-])c1ccsc1 ZINC001592758514 983205610 /nfs/dbraw/zinc/20/56/10/983205610.db2.gz QLLYWYHMIUSQKI-IONNQARKSA-N -1 0 246.353 2.235 20 0 BEADRM C[C@H](COC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CCC1 ZINC001592763816 983209293 /nfs/dbraw/zinc/20/92/93/983209293.db2.gz ICBNXAZELVVVTA-IEBDPFPHSA-N -1 0 240.299 2.077 20 0 BEADRM C/C(Cl)=C/C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-] ZINC001592912199 983217337 /nfs/dbraw/zinc/21/73/37/983217337.db2.gz FXFSWXLTAXKPOA-XZLDQRQTSA-N -1 0 247.722 2.087 20 0 BEADRM C/C(Cl)=C\C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-] ZINC001592912198 983219775 /nfs/dbraw/zinc/21/97/75/983219775.db2.gz FXFSWXLTAXKPOA-ORZBULNSSA-N -1 0 247.722 2.087 20 0 BEADRM COc1nc(C(C)C)ccc1[N-]c1nnco1 ZINC001201432171 983230586 /nfs/dbraw/zinc/23/05/86/983230586.db2.gz ZDQBWKIZEAAUAM-UHFFFAOYSA-N -1 0 234.259 2.340 20 0 BEADRM CCC[C@@H]1C[C@H]1C(=O)NCCCCCC(=O)[O-] ZINC001596007219 983262187 /nfs/dbraw/zinc/26/21/87/983262187.db2.gz FXNBANYXDDPQCQ-GHMZBOCLSA-N -1 0 241.331 2.184 20 0 BEADRM CCC[C@H](NC(=O)C1=CC[C@@H](C)CC1)C(=O)[O-] ZINC001596015449 983275926 /nfs/dbraw/zinc/27/59/26/983275926.db2.gz AMOIRVAGDKCBLQ-KOLCDFICSA-N -1 0 239.315 2.102 20 0 BEADRM C[C@H]1C[C@H]1CNC(=O)c1cc(F)cc(F)c1[O-] ZINC001354497198 983315485 /nfs/dbraw/zinc/31/54/85/983315485.db2.gz ZQUBQEHGZMNXRU-BQBZGAKWSA-N -1 0 241.237 2.056 20 0 BEADRM CCc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1CC ZINC001593635494 983325052 /nfs/dbraw/zinc/32/50/52/983325052.db2.gz TXOWKGHIMZLGHV-VIFPVBQESA-N -1 0 249.310 2.014 20 0 BEADRM CCc1cc(SCCC(=O)[O-])nc(CC)n1 ZINC001593634177 983325462 /nfs/dbraw/zinc/32/54/62/983325462.db2.gz NWTDGHSXZKSUHN-UHFFFAOYSA-N -1 0 240.328 2.168 20 0 BEADRM CCc1occc1-c1nc([C@@H](C)C(=O)[O-])no1 ZINC001593658347 983332730 /nfs/dbraw/zinc/33/27/30/983332730.db2.gz UZWIIDBDIBOYKN-ZCFIWIBFSA-N -1 0 236.227 2.080 20 0 BEADRM CC(C)NC(=S)Nc1c([O-])cc(F)cc1F ZINC001200785307 983362921 /nfs/dbraw/zinc/36/29/21/983362921.db2.gz DBUIMEJZKYXBKH-UHFFFAOYSA-N -1 0 246.282 2.365 20 0 BEADRM COC(=O)[C@H](CC(C)(C)C)S[C@H](C)C(=O)[O-] ZINC001593806864 983370922 /nfs/dbraw/zinc/37/09/22/983370922.db2.gz MIJDARITVSUYLQ-SFYZADRCSA-N -1 0 248.344 2.171 20 0 BEADRM CSc1cccc(-c2cnn(CC(=O)[O-])c2)c1 ZINC001242183119 983396489 /nfs/dbraw/zinc/39/64/89/983396489.db2.gz GQDPXZUZBLBQOV-UHFFFAOYSA-N -1 0 248.307 2.357 20 0 BEADRM O=C([O-])Cn1cc(-c2cccc3c2CC=C3)cn1 ZINC001242185210 983399311 /nfs/dbraw/zinc/39/93/11/983399311.db2.gz JBGOBBDWWDMRNT-UHFFFAOYSA-N -1 0 240.262 2.204 20 0 BEADRM O=C([O-])Cn1cc(-c2ccc3c(c2)C=CC3)cn1 ZINC001242185667 983400134 /nfs/dbraw/zinc/40/01/34/983400134.db2.gz QXQATKNYOLHECO-UHFFFAOYSA-N -1 0 240.262 2.204 20 0 BEADRM CCCc1ccn(Cc2occc2C(=O)[O-])n1 ZINC001596082657 983402411 /nfs/dbraw/zinc/40/24/11/983402411.db2.gz VXZFEEXBLUVFHR-UHFFFAOYSA-N -1 0 234.255 2.175 20 0 BEADRM CCOc1nccc(-c2ccc(F)cc2[O-])n1 ZINC001242215784 983411108 /nfs/dbraw/zinc/41/11/08/983411108.db2.gz KUNNXYUGBLYNAR-UHFFFAOYSA-N -1 0 234.230 2.387 20 0 BEADRM CCOc1cnc(-c2ccc(F)cc2[O-])nc1 ZINC001242216558 983411778 /nfs/dbraw/zinc/41/17/78/983411778.db2.gz XJDUOQOWEYPXMH-UHFFFAOYSA-N -1 0 234.230 2.387 20 0 BEADRM [O-]c1cc(F)ccc1-c1nccc2nc[nH]c21 ZINC001242217129 983415423 /nfs/dbraw/zinc/41/54/23/983415423.db2.gz RFWQXQWMXAKOTE-UHFFFAOYSA-N -1 0 229.214 2.470 20 0 BEADRM [O-]c1cc(F)ccc1-c1ncnn2cccc12 ZINC001242218703 983420799 /nfs/dbraw/zinc/42/07/99/983420799.db2.gz LXZYBMIPWSQNNU-UHFFFAOYSA-N -1 0 229.214 2.241 20 0 BEADRM CCN(C(=O)[C@H](C)CC(=O)[O-])C1CC(C)(C)C1 ZINC001596126821 983466736 /nfs/dbraw/zinc/46/67/36/983466736.db2.gz GTXDEKOEONIWTO-SECBINFHSA-N -1 0 241.331 2.134 20 0 BEADRM CCCC=Cc1ccc(-n2[n-]c(C)cc2=O)nn1 ZINC001242253290 983473125 /nfs/dbraw/zinc/47/31/25/983473125.db2.gz STLKQUBKLPUPTE-AATRIKPKSA-N -1 0 244.298 2.403 20 0 BEADRM Nc1cc(-c2cccc(CC(=O)[O-])c2)ncc1F ZINC001242261137 983485036 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CC(C)[C@@H](C)NC(=O)Cc1ccccc1C(=O)[O-] ZINC000135822751 167375410 /nfs/dbraw/zinc/37/54/10/167375410.db2.gz NPZAPUXKRHNPFC-SNVBAGLBSA-N -1 0 249.310 2.088 20 0 BEADRM O=c1cc(C(F)(F)F)[n-]n1C1CCCC1 ZINC000104168526 410925213 /nfs/dbraw/zinc/92/52/13/410925213.db2.gz JFPRUTVUXXUDHJ-UHFFFAOYSA-N -1 0 220.194 2.080 20 0 BEADRM CC(C)[C@@H](NC(=O)[C@H](C)c1ccccc1)C(=O)[O-] ZINC000058845427 167427007 /nfs/dbraw/zinc/42/70/07/167427007.db2.gz AQGHHBGTJWALGD-ZYHUDNBSSA-N -1 0 249.310 2.016 20 0 BEADRM C[C@@H]1CN(C(=O)C(C)(C)C(=O)[O-])c2ccccc21 ZINC000398517280 410971056 /nfs/dbraw/zinc/97/10/56/410971056.db2.gz TXHGGTQMYWHLFT-SECBINFHSA-N -1 0 247.294 2.248 20 0 BEADRM C=CCCC[C@@H](C)Nc1ccnc(C(=O)[O-])c1 ZINC000398156567 410945214 /nfs/dbraw/zinc/94/52/14/410945214.db2.gz IYQPIHCIJSOCTK-SNVBAGLBSA-N -1 0 234.299 2.358 20 0 BEADRM Cc1nc(=NC2CC3(CCC3)C2)s[n-]1 ZINC000651473286 411055203 /nfs/dbraw/zinc/05/52/03/411055203.db2.gz HUYVNSRNTUJLIJ-UHFFFAOYSA-N -1 0 209.318 2.013 20 0 BEADRM CC(C)c1cccc(CNC(=O)CCC(=O)[O-])c1 ZINC000358020313 167630515 /nfs/dbraw/zinc/63/05/15/167630515.db2.gz RTJZSAKIBDOGTB-UHFFFAOYSA-N -1 0 249.310 2.291 20 0 BEADRM CC(C)c1ccccc1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037517375 167640678 /nfs/dbraw/zinc/64/06/78/167640678.db2.gz HQNCWOUGTRYDFU-QWRGUYRKSA-N -1 0 247.294 2.469 20 0 BEADRM CCC[C@@H](C)S(=O)(=O)[N-][C@H](C)C(F)(F)F ZINC000651707601 411137136 /nfs/dbraw/zinc/13/71/36/411137136.db2.gz QVDGVXMVEUFLCS-RNFRBKRXSA-N -1 0 247.282 2.045 20 0 BEADRM CN(CC(C)(C)C)c1ncccc1C(=O)[O-] ZINC000045089547 411144117 /nfs/dbraw/zinc/14/41/17/411144117.db2.gz AROWVGSHJMZGBQ-UHFFFAOYSA-N -1 0 222.288 2.262 20 0 BEADRM CCC[C@@H](C)CC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655569089 411154694 /nfs/dbraw/zinc/15/46/94/411154694.db2.gz XNPFWZWNQCPIGF-MNOVXSKESA-N -1 0 243.347 2.286 20 0 BEADRM CCC(C)(C)CC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655568416 411155058 /nfs/dbraw/zinc/15/50/58/411155058.db2.gz JRVJKPSJIVLBEY-SNVBAGLBSA-N -1 0 243.347 2.286 20 0 BEADRM CCc1[n-]n(-c2cc(C)ccn2)c(=O)c1C ZINC000110454873 411099687 /nfs/dbraw/zinc/09/96/87/411099687.db2.gz KFRICCLNDHEZNJ-SECBINFHSA-N -1 0 217.272 2.139 20 0 BEADRM CCCC(C)(C)C(=O)N(CC)CCC(=O)[O-] ZINC000652053702 411100323 /nfs/dbraw/zinc/10/03/23/411100323.db2.gz HMDQBJSANHFINO-UHFFFAOYSA-N -1 0 229.320 2.136 20 0 BEADRM CC(C)C(C)(C)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000652091766 411118719 /nfs/dbraw/zinc/11/87/19/411118719.db2.gz UYVQJQQEKNZQIX-UHFFFAOYSA-N -1 0 243.347 2.428 20 0 BEADRM Cc1ccccc1C(=O)N(CC(=O)[O-])C1CCC1 ZINC000655597046 411170694 /nfs/dbraw/zinc/17/06/94/411170694.db2.gz PJZBKUWCKUDDNX-UHFFFAOYSA-N -1 0 247.294 2.074 20 0 BEADRM Cc1ccc(C(=O)N(CC(=O)[O-])C2CCC2)cc1 ZINC000655597274 411170798 /nfs/dbraw/zinc/17/07/98/411170798.db2.gz UKOALCUBQKLAQP-UHFFFAOYSA-N -1 0 247.294 2.074 20 0 BEADRM C[C@@H](Nc1ncccn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091665 411174031 /nfs/dbraw/zinc/17/40/31/411174031.db2.gz GWKKUEKGKRLGIC-KXUCPTDWSA-N -1 0 249.314 2.024 20 0 BEADRM CC(C)(C)CCNC(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000123845145 411175437 /nfs/dbraw/zinc/17/54/37/411175437.db2.gz IQAYHGUWFJXYGD-UWVGGRQHSA-N -1 0 241.331 2.040 20 0 BEADRM CC[C@H](NC(=O)CCCC(C)(C)C)C(=O)[O-] ZINC000123898255 411179280 /nfs/dbraw/zinc/17/92/80/411179280.db2.gz HQPWUIUFKBTTQL-VIFPVBQESA-N -1 0 229.320 2.182 20 0 BEADRM CCC[C@@H](C)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC000401304351 411190035 /nfs/dbraw/zinc/19/00/35/411190035.db2.gz GIACCXMQWCHDMB-NXEZZACHSA-N -1 0 243.347 2.428 20 0 BEADRM CCC[C@H](C)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC000401304353 411190064 /nfs/dbraw/zinc/19/00/64/411190064.db2.gz GIACCXMQWCHDMB-VHSXEESVSA-N -1 0 243.347 2.428 20 0 BEADRM CC[C@@H](CC(=O)N(CC)[C@H](C)C(=O)[O-])C(C)C ZINC000659770226 411220840 /nfs/dbraw/zinc/22/08/40/411220840.db2.gz FMWMVLOGTJDTLX-MNOVXSKESA-N -1 0 243.347 2.380 20 0 BEADRM CC(F)(F)C(=O)[N-]OCc1ccc(F)cc1 ZINC000289272750 167809905 /nfs/dbraw/zinc/80/99/05/167809905.db2.gz RPTKYZOOBSDRTP-UHFFFAOYSA-N -1 0 233.189 2.029 20 0 BEADRM CN(CCC1CC1)C(=O)CC(C)(C)CC(=O)[O-] ZINC000310233877 411229977 /nfs/dbraw/zinc/22/99/77/411229977.db2.gz HLJWPIDGAVQIKA-UHFFFAOYSA-N -1 0 241.331 2.136 20 0 BEADRM C=CCC(C)(C)CNc1ncc(C(=O)[O-])cn1 ZINC000310365342 411235444 /nfs/dbraw/zinc/23/54/44/411235444.db2.gz VVAKXGMGZVUCNG-UHFFFAOYSA-N -1 0 235.287 2.189 20 0 BEADRM CCN(C(=O)C1CCCCCC1)[C@H](C)C(=O)[O-] ZINC000659777289 411241644 /nfs/dbraw/zinc/24/16/44/411241644.db2.gz WPTMTKJBJFTGOV-SNVBAGLBSA-N -1 0 241.331 2.278 20 0 BEADRM CCC(CC)CNc1cncc(C(=O)[O-])n1 ZINC000130403559 411266732 /nfs/dbraw/zinc/26/67/32/411266732.db2.gz VQYYRNHMFNWPCV-UHFFFAOYSA-N -1 0 223.276 2.023 20 0 BEADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CC1CCC1 ZINC000659783726 411267216 /nfs/dbraw/zinc/26/72/16/411267216.db2.gz XGNHOMJZSAMGDV-UHFFFAOYSA-N -1 0 241.331 2.136 20 0 BEADRM CCOCc1nc(=O)c2sc(C)cc2[n-]1 ZINC000656490726 411285291 /nfs/dbraw/zinc/28/52/91/411285291.db2.gz GPHIPJKAWLKAMX-UHFFFAOYSA-N -1 0 224.285 2.242 20 0 BEADRM Cc1ccoc1CN=c1ccc(OC(C)C)n[n-]1 ZINC000357703894 411308155 /nfs/dbraw/zinc/30/81/55/411308155.db2.gz DKZCKNFJWSMJBJ-UHFFFAOYSA-N -1 0 247.298 2.199 20 0 BEADRM CCCC1(C(=O)N(C)[C@@H](CC)C(=O)[O-])CCC1 ZINC000653336541 411331474 /nfs/dbraw/zinc/33/14/74/411331474.db2.gz GVZHGZLZZBRGIW-JTQLQIEISA-N -1 0 241.331 2.278 20 0 BEADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1CCC1(C)C ZINC000659138609 411372847 /nfs/dbraw/zinc/37/28/47/411372847.db2.gz VTWQNWJWYURYTK-UWVGGRQHSA-N -1 0 241.331 2.134 20 0 BEADRM CCCC[C@@H](C)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000304207680 411354289 /nfs/dbraw/zinc/35/42/89/411354289.db2.gz KTLQMRHIJTVPIG-SNVBAGLBSA-N -1 0 241.331 2.136 20 0 BEADRM CC[C@@H](C)CCNc1ncncc1C(=O)[O-] ZINC000656783081 411360110 /nfs/dbraw/zinc/36/01/10/411360110.db2.gz KXVYSVUBGSWLPJ-MRVPVSSYSA-N -1 0 223.276 2.023 20 0 BEADRM Cc1cnc(NC[C@@H](CC(=O)[O-])C2CC2)s1 ZINC000656782496 411360196 /nfs/dbraw/zinc/36/01/96/411360196.db2.gz FMCZBLWIJWABJU-SECBINFHSA-N -1 0 240.328 2.364 20 0 BEADRM CCC[C@@H](C)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000659203373 411373364 /nfs/dbraw/zinc/37/33/64/411373364.db2.gz IGZZJRPRVDPTHZ-KOLCDFICSA-N -1 0 241.331 2.040 20 0 BEADRM O=C([O-])c1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)nc1 ZINC000403845633 411362390 /nfs/dbraw/zinc/36/23/90/411362390.db2.gz QQELTCJUJPQHCL-FBIMIBRVSA-N -1 0 232.283 2.380 20 0 BEADRM CCCCCC(=O)NCc1ccoc1C(=O)[O-] ZINC000659199730 411365066 /nfs/dbraw/zinc/36/50/66/411365066.db2.gz RNGZFUUOLVNFAI-UHFFFAOYSA-N -1 0 239.271 2.174 20 0 BEADRM CC[C@H](C)CCNC(=O)C[C@@H](C)CC(=O)[O-] ZINC000659170697 411373808 /nfs/dbraw/zinc/37/38/08/411373808.db2.gz SHECCMHNTSWAFS-VHSXEESVSA-N -1 0 229.320 2.040 20 0 BEADRM CCC(CC)(NC(=O)[C@@H]1CCC1(C)C)C(=O)[O-] ZINC000659149943 411373962 /nfs/dbraw/zinc/37/39/62/411373962.db2.gz NKHOXPQFVNAQHH-VIFPVBQESA-N -1 0 241.331 2.182 20 0 BEADRM CC(C)(C)[C@@H](NC(=O)[C@@H]1CCC1(C)C)C(=O)[O-] ZINC000659126833 411369834 /nfs/dbraw/zinc/36/98/34/411369834.db2.gz QANSTTKNUFHIPD-IUCAKERBSA-N -1 0 241.331 2.038 20 0 BEADRM CC(C)(C)[C@H](NC(=O)[C@H]1CCC1(C)C)C(=O)[O-] ZINC000659126834 411370171 /nfs/dbraw/zinc/37/01/71/411370171.db2.gz QANSTTKNUFHIPD-RKDXNWHRSA-N -1 0 241.331 2.038 20 0 BEADRM CC(C)C[C@@H](NC(=O)[C@H]1CCC1(C)C)C(=O)[O-] ZINC000659123377 411370570 /nfs/dbraw/zinc/37/05/70/411370570.db2.gz PHQLDCOWIAEDKZ-NXEZZACHSA-N -1 0 241.331 2.038 20 0 BEADRM Cc1oc(C(=O)[O-])cc1C(=O)N(C)CC(C)C ZINC000659121325 411370757 /nfs/dbraw/zinc/37/07/57/411370757.db2.gz FBAXGJXWJVYOBF-UHFFFAOYSA-N -1 0 239.271 2.014 20 0 BEADRM CCC[C@@](C)(NC(=O)[C@H]1CCC1(C)C)C(=O)[O-] ZINC000659124799 411370853 /nfs/dbraw/zinc/37/08/53/411370853.db2.gz CAXUOXWCMOJLLF-NOZJJQNGSA-N -1 0 241.331 2.182 20 0 BEADRM CC[C@H](NC(=O)c1cccc(C(C)C)c1)C(=O)[O-] ZINC000659130170 411371466 /nfs/dbraw/zinc/37/14/66/411371466.db2.gz KAPTVGYQUPMRNZ-LBPRGKRZSA-N -1 0 249.310 2.403 20 0 BEADRM CC[C@@H](NC(=O)c1ccc(C2CC2)cc1)C(=O)[O-] ZINC000659130920 411371678 /nfs/dbraw/zinc/37/16/78/411371678.db2.gz RQKDKQNRGYLZOK-GFCCVEGCSA-N -1 0 247.294 2.157 20 0 BEADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1CCC1(C)C ZINC000659138610 411372575 /nfs/dbraw/zinc/37/25/75/411372575.db2.gz VTWQNWJWYURYTK-VHSXEESVSA-N -1 0 241.331 2.134 20 0 BEADRM CC1(C)[C@@H]2CN(C(=O)c3ccc(F)cc3[O-])C[C@@H]21 ZINC000179006873 168012098 /nfs/dbraw/zinc/01/20/98/168012098.db2.gz HVDCGHPWMROBCH-PHIMTYICSA-N -1 0 249.285 2.259 20 0 BEADRM CN(CCC(=O)[O-])C(=O)c1ccc(C2CC2)cc1 ZINC000659131625 411372644 /nfs/dbraw/zinc/37/26/44/411372644.db2.gz RXGVCHBIVQKPTK-UHFFFAOYSA-N -1 0 247.294 2.111 20 0 BEADRM CC[C@H](C)CC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000659206476 411377415 /nfs/dbraw/zinc/37/74/15/411377415.db2.gz FJMVJFZGKQGKSS-GXSJLCMTSA-N -1 0 241.331 2.040 20 0 BEADRM Cc1oc(C(=O)[O-])cc1C(=O)NCC1=CCCC1 ZINC000659225333 411379786 /nfs/dbraw/zinc/37/97/86/411379786.db2.gz JYHKDRCXAALZCM-UHFFFAOYSA-N -1 0 249.266 2.126 20 0 BEADRM CC1CCC(=CC(=O)N(C)CCC(=O)[O-])CC1 ZINC000236620485 168148193 /nfs/dbraw/zinc/14/81/93/168148193.db2.gz UALFVPHERORKJB-UHFFFAOYSA-N -1 0 239.315 2.056 20 0 BEADRM CC(C)CC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC000659180414 411376467 /nfs/dbraw/zinc/37/64/67/411376467.db2.gz RWKHAKCPBPCNGP-MJHDQNEOSA-N -1 0 241.331 2.182 20 0 BEADRM CCCCN(CC)c1ncc(C(=O)[O-])s1 ZINC000054909828 411388054 /nfs/dbraw/zinc/38/80/54/411388054.db2.gz DUFKACJIJBREBP-UHFFFAOYSA-N -1 0 228.317 2.468 20 0 BEADRM CCCC(C)(C)C(=O)N(C)[C@H](CC)C(=O)[O-] ZINC000653345685 411389508 /nfs/dbraw/zinc/38/95/08/411389508.db2.gz YCLCFAFRVLHLKJ-SECBINFHSA-N -1 0 229.320 2.134 20 0 BEADRM CCCC(C)(C)C(=O)N(C)[C@@H](CC)C(=O)[O-] ZINC000653345686 411389906 /nfs/dbraw/zinc/38/99/06/411389906.db2.gz YCLCFAFRVLHLKJ-VIFPVBQESA-N -1 0 229.320 2.134 20 0 BEADRM CCC(C)(C)C(=O)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000331069384 168263509 /nfs/dbraw/zinc/26/35/09/168263509.db2.gz BLFYZFYJBAFBIG-UHFFFAOYSA-N -1 0 249.236 2.225 20 0 BEADRM CCC(C)(C)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000094554603 168265943 /nfs/dbraw/zinc/26/59/43/168265943.db2.gz 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C[C@@]1(C(=O)[N-]OCc2ccccc2)CC1(F)F ZINC000817513756 586809254 /nfs/dbraw/zinc/80/92/54/586809254.db2.gz SCGOVSFHEXMUKX-NSHDSACASA-N -1 0 241.237 2.280 20 0 BEADRM CC(C)(C)c1ccc(C(=O)OCC(=O)[O-])s1 ZINC000817818246 586829887 /nfs/dbraw/zinc/82/98/87/586829887.db2.gz WNAOGRHMIYXVLV-UHFFFAOYSA-N -1 0 242.296 2.287 20 0 BEADRM C/C=C(\C)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000817868062 586831471 /nfs/dbraw/zinc/83/14/71/586831471.db2.gz IOTFTGDGTWPGNJ-XVNBXDOJSA-N -1 0 239.296 2.029 20 0 BEADRM CC(C)[C@H](NC(=O)C(F)=C1CCCC1)C(=O)[O-] ZINC000817961574 586852820 /nfs/dbraw/zinc/85/28/20/586852820.db2.gz WMNCAHAFAZPUAK-JTQLQIEISA-N -1 0 243.278 2.009 20 0 BEADRM C[C@@H]([NH2+]CCCCCC(=O)[O-])c1cncs1 ZINC000818052523 586867317 /nfs/dbraw/zinc/86/73/17/586867317.db2.gz JXZMVMNKKFZHRG-SECBINFHSA-N -1 0 242.344 2.439 20 0 BEADRM C[C@@H](Nc1ccc2c(c1)CC(C)(C)O2)C(=O)[O-] ZINC000818058985 586867870 /nfs/dbraw/zinc/86/78/70/586867870.db2.gz FNTTYEWZUGEKDJ-MRVPVSSYSA-N -1 0 235.283 2.285 20 0 BEADRM C[C@H](Nc1ccc2c(c1)CC(C)(C)O2)C(=O)[O-] ZINC000818058986 586868151 /nfs/dbraw/zinc/86/81/51/586868151.db2.gz FNTTYEWZUGEKDJ-QMMMGPOBSA-N -1 0 235.283 2.285 20 0 BEADRM CC(C)c1cnc(S[C@H](C)C(=O)[O-])n1C ZINC000818065962 586868325 /nfs/dbraw/zinc/86/83/25/586868325.db2.gz RXCCBMQULFDAAZ-SSDOTTSWSA-N -1 0 228.317 2.109 20 0 BEADRM C/C=C(/C=C\C(=O)N[C@H](C(=O)[O-])C(C)C)CC ZINC000818120561 586875728 /nfs/dbraw/zinc/87/57/28/586875728.db2.gz FLKLAAXROKIQLD-OFALJXEBSA-N -1 0 239.315 2.124 20 0 BEADRM COCc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000818547804 586899754 /nfs/dbraw/zinc/89/97/54/586899754.db2.gz VLCVJOKLXDWSBL-MRVPVSSYSA-N -1 0 226.297 2.398 20 0 BEADRM Cc1nccc(Nc2cccc(CC(=O)[O-])c2)n1 ZINC000819012528 586923482 /nfs/dbraw/zinc/92/34/82/586923482.db2.gz VCPWPAZQVISRDT-UHFFFAOYSA-N -1 0 243.266 2.156 20 0 BEADRM CCO[N-]C(=O)C1(c2ccc(C)cc2)CCC1 ZINC000819056364 586928045 /nfs/dbraw/zinc/92/80/45/586928045.db2.gz YVZQNJKKUPOIFP-UHFFFAOYSA-N -1 0 233.311 2.484 20 0 BEADRM O=C([O-])CCCNc1ccnc(Cl)c1 ZINC000819463356 586966733 /nfs/dbraw/zinc/96/67/33/586966733.db2.gz UPAODLBWZAJPJB-UHFFFAOYSA-N -1 0 214.652 2.012 20 0 BEADRM CC[C@@H](C)CO[N-]C(=O)C(F)=C1CCC1 ZINC000819540591 586975763 /nfs/dbraw/zinc/97/57/63/586975763.db2.gz DUEFOKBULXHUGH-MRVPVSSYSA-N -1 0 215.268 2.488 20 0 BEADRM O=C([O-])c1ccc(COC(=O)c2ccco2)cc1 ZINC000819686992 586986021 /nfs/dbraw/zinc/98/60/21/586986021.db2.gz CGTQDMHSLXZKHC-UHFFFAOYSA-N -1 0 246.218 2.335 20 0 BEADRM CC(C)=C(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000819948444 587005102 /nfs/dbraw/zinc/00/51/02/587005102.db2.gz XKIYVOROTOCFPH-UHFFFAOYSA-N -1 0 239.315 2.102 20 0 BEADRM CC(C)C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)C1)C(=O)[O-] ZINC000819980181 587010894 /nfs/dbraw/zinc/01/08/94/587010894.db2.gz MEFZEQNSYZCIOF-GMTAPVOTSA-N -1 0 241.331 2.038 20 0 BEADRM COC1(C(=O)[N-]Oc2ccccc2)CCCCC1 ZINC000820044074 587014832 /nfs/dbraw/zinc/01/48/32/587014832.db2.gz VWTLRNKQOZDPMQ-UHFFFAOYSA-N -1 0 249.310 2.446 20 0 BEADRM C[C@@H](CCC(=O)OCC(=O)[O-])c1ccccc1 ZINC000820095227 587021370 /nfs/dbraw/zinc/02/13/70/587021370.db2.gz AIKQELZHURIIRX-JTQLQIEISA-N -1 0 236.267 2.198 20 0 BEADRM C[C@H](NC(=O)C(C)(C)C1CCCCC1)C(=O)[O-] ZINC000820115366 587022659 /nfs/dbraw/zinc/02/26/59/587022659.db2.gz VCEIVQKTXFLXIR-VIFPVBQESA-N -1 0 241.331 2.182 20 0 BEADRM C[C@@H](Nc1ccnc(-c2ccccc2)n1)C(=O)[O-] ZINC000820153893 587028836 /nfs/dbraw/zinc/02/88/36/587028836.db2.gz BBHREIDIEISSTF-SECBINFHSA-N -1 0 243.266 2.029 20 0 BEADRM C[C@@H](OC(=O)[C@@H](c1ccccc1)C1CC1)C(=O)[O-] ZINC000820166551 587030883 /nfs/dbraw/zinc/03/08/83/587030883.db2.gz XCFIUNMZLCFXML-SKDRFNHKSA-N -1 0 248.278 2.197 20 0 BEADRM C[C@@H](OC(=O)C1(Cc2ccccc2)CC1)C(=O)[O-] ZINC000820166053 587031202 /nfs/dbraw/zinc/03/12/02/587031202.db2.gz OJFCGQGZDTTZJO-SNVBAGLBSA-N -1 0 248.278 2.026 20 0 BEADRM C=C=CCNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000820190650 587033746 /nfs/dbraw/zinc/03/37/46/587033746.db2.gz ZATWZNKXYVVELC-UHFFFAOYSA-N -1 0 246.291 2.187 20 0 BEADRM C[C@@H](CS[C@@H](C)C(=O)[O-])C(F)(F)F ZINC000820194381 587033925 /nfs/dbraw/zinc/03/39/25/587033925.db2.gz KTNZRHVCFMFBPB-WHFBIAKZSA-N -1 0 216.224 2.391 20 0 BEADRM C[C@H]1CC(C(=O)NCCCC(=O)[O-])C[C@H](C)C1 ZINC000820221773 587036039 /nfs/dbraw/zinc/03/60/39/587036039.db2.gz UYLKEFBAJYHAOI-NXEZZACHSA-N -1 0 241.331 2.040 20 0 BEADRM C/C=C(/C=C/C(=O)N(CC(=O)[O-])C(C)C)CC ZINC000820256979 587039023 /nfs/dbraw/zinc/03/90/23/587039023.db2.gz PLTFNPFXMRVCSA-VAZWZHNFSA-N -1 0 239.315 2.221 20 0 BEADRM CC[C@@H](C)CCCCC(=O)N[C@H](C)C(=O)[O-] ZINC000820266846 587039399 /nfs/dbraw/zinc/03/93/99/587039399.db2.gz VHTPGLZEMMIWOR-NXEZZACHSA-N -1 0 229.320 2.182 20 0 BEADRM C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC000820455678 587050065 /nfs/dbraw/zinc/05/00/65/587050065.db2.gz LFHRABQFGADKQE-SSDOTTSWSA-N -1 0 247.277 2.216 20 0 BEADRM CC[C@H](C)[C@H](NCc1nc(C)cs1)C(=O)[O-] ZINC000820465884 587050382 /nfs/dbraw/zinc/05/03/82/587050382.db2.gz XWTJIWZMJOKYKK-XVKPBYJWSA-N -1 0 242.344 2.040 20 0 BEADRM C[C@H](F)CCNC(=O)c1cc(F)cc(F)c1[O-] ZINC000820631628 587060100 /nfs/dbraw/zinc/06/01/00/587060100.db2.gz RHGTZDGPADZFRF-LURJTMIESA-N -1 0 247.216 2.148 20 0 BEADRM C[C@H](F)CCNC(=O)c1cccc(F)c1[O-] ZINC000820629272 587060216 /nfs/dbraw/zinc/06/02/16/587060216.db2.gz BITAVOPUXLPRRA-ZETCQYMHSA-N -1 0 229.226 2.009 20 0 BEADRM Cc1cc(C(=O)O[C@H](C)C(=O)[O-])cc(C)c1F ZINC000820963693 587085216 /nfs/dbraw/zinc/08/52/16/587085216.db2.gz MHOJYBARZOOOTJ-MRVPVSSYSA-N -1 0 240.230 2.072 20 0 BEADRM Cc1cc(N(C)C)ccc1N[C@@H](C)CC(=O)[O-] ZINC000820980002 587086235 /nfs/dbraw/zinc/08/62/35/587086235.db2.gz IGTAJBDZNGCEOR-JTQLQIEISA-N -1 0 236.315 2.336 20 0 BEADRM Cc1cc(N[C@@H](C)CC(=O)[O-])ccc1N(C)C ZINC000821041743 587090556 /nfs/dbraw/zinc/09/05/56/587090556.db2.gz MDRPOPBGFGWJGL-JTQLQIEISA-N -1 0 236.315 2.336 20 0 BEADRM Cc1nc2cc(N[C@@H](C)C(=O)[O-])ccc2s1 ZINC000821181477 587100262 /nfs/dbraw/zinc/10/02/62/587100262.db2.gz GRIJLLUPNQRLJC-LURJTMIESA-N -1 0 236.296 2.490 20 0 BEADRM Cn1ccc(CNc2cccc(CC(=O)[O-])c2)c1 ZINC000821304686 587106163 /nfs/dbraw/zinc/10/61/63/587106163.db2.gz BTFKQKAFDGYELE-UHFFFAOYSA-N -1 0 244.294 2.264 20 0 BEADRM O=C([O-])CCCCOC(=O)[C@@H]1CC12CCCC2 ZINC000821520483 587124889 /nfs/dbraw/zinc/12/48/89/587124889.db2.gz CBNNVBVAMAAGOG-JTQLQIEISA-N -1 0 240.299 2.365 20 0 BEADRM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cccc(F)c1[O-] ZINC000822040289 587150086 /nfs/dbraw/zinc/15/00/86/587150086.db2.gz OPDQFKOOPUTIHI-ONGXEEELSA-N -1 0 249.285 2.307 20 0 BEADRM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(F)c1[O-] ZINC000822480072 587171104 /nfs/dbraw/zinc/17/11/04/587171104.db2.gz VNTUMGVFZQUBRH-UBHAPETDSA-N -1 0 249.285 2.450 20 0 BEADRM C/C(=C/C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])C(C)(C)C ZINC000823333980 587216953 /nfs/dbraw/zinc/21/69/53/587216953.db2.gz WMLSUUBYZLHHAS-BUMYOJGDSA-N -1 0 241.331 2.204 20 0 BEADRM C/C(=C\C(=O)OCCN(C)C(=O)[O-])C(C)(C)C ZINC000823526598 587229522 /nfs/dbraw/zinc/22/95/22/587229522.db2.gz BNNDRJZUQDVAPH-CMDGGOBGSA-N -1 0 243.303 2.132 20 0 BEADRM CN(C(=O)c1cccc(F)c1[O-])C(C)(C)C ZINC000823658721 587235077 /nfs/dbraw/zinc/23/50/77/587235077.db2.gz DHCLKQZVTSDPOB-UHFFFAOYSA-N -1 0 225.263 2.402 20 0 BEADRM CCC/C(C)=C\C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000823842848 587241918 /nfs/dbraw/zinc/24/19/18/587241918.db2.gz RXLYWDXXAUBBMD-CHOZFAJLSA-N -1 0 239.315 2.056 20 0 BEADRM CC(C)(CCC(=O)OCCC1CC1)NC(=O)[O-] ZINC000823890635 587245728 /nfs/dbraw/zinc/24/57/28/587245728.db2.gz WUWIYULATBJHJN-UHFFFAOYSA-N -1 0 243.303 2.156 20 0 BEADRM CC(C)=C(C)C(=O)OC[C@@H]1CCCN1C(=O)[O-] ZINC000824038275 587250587 /nfs/dbraw/zinc/25/05/87/587250587.db2.gz AWTNAQKWZUVSAK-JTQLQIEISA-N -1 0 241.287 2.028 20 0 BEADRM CC(C)COC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000824268315 587264129 /nfs/dbraw/zinc/26/41/29/587264129.db2.gz NBIRFLQKTFQFTP-UWVGGRQHSA-N -1 0 243.303 2.012 20 0 BEADRM CC(C)OC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000824392744 587269019 /nfs/dbraw/zinc/26/90/19/587269019.db2.gz CUBBSQKJGICWQI-UHFFFAOYSA-N -1 0 237.255 2.123 20 0 BEADRM O=C([O-])N1CCC(Oc2ccc(F)cc2)CC1 ZINC000201478446 589093865 /nfs/dbraw/zinc/09/38/65/589093865.db2.gz OPSIDUUCMCOHEJ-UHFFFAOYSA-N -1 0 239.246 2.347 20 0 BEADRM C[C@H](CCNc1ccc(Cl)cn1)NC(=O)[O-] ZINC000824802088 587288360 /nfs/dbraw/zinc/28/83/60/587288360.db2.gz HOGPDTDROFGFGC-SSDOTTSWSA-N -1 0 243.694 2.193 20 0 BEADRM C[C@@H](CN(C)C(=O)[O-])C(=O)OC1CCCCC1 ZINC000824889949 587292039 /nfs/dbraw/zinc/29/20/39/587292039.db2.gz SKIDWQUUPNADLB-VIFPVBQESA-N -1 0 243.303 2.108 20 0 BEADRM C[C@H](CN(C)C(=O)[O-])c1nc(C(C)(C)C)no1 ZINC000824896396 587292391 /nfs/dbraw/zinc/29/23/91/587292391.db2.gz SBLVVMYENWQTAH-SSDOTTSWSA-N -1 0 241.291 2.080 20 0 BEADRM C[C@@H](COC(=O)[C@@H](C)C1CCCC1)NC(=O)[O-] ZINC000824981114 587296858 /nfs/dbraw/zinc/29/68/58/587296858.db2.gz UVSZZIVWUMFIJC-IUCAKERBSA-N -1 0 243.303 2.012 20 0 BEADRM Cc1cccc(CO[N-]C(=O)[C@@]2(C)C=CCC2)n1 ZINC000825571880 587325819 /nfs/dbraw/zinc/32/58/19/587325819.db2.gz AOYNJUHCLIWVPS-AWEZNQCLSA-N -1 0 246.310 2.294 20 0 BEADRM C/C(=C/C(=O)N(C)C(C)(C)C(=O)[O-])C(C)(C)C ZINC000825716525 587333828 /nfs/dbraw/zinc/33/38/28/587333828.db2.gz JSSWQRUNRXRLFY-HJWRWDBZSA-N -1 0 241.331 2.300 20 0 BEADRM C/C(=C\CN(C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000825729643 587333860 /nfs/dbraw/zinc/33/38/60/587333860.db2.gz JDNLWFAPOGYZDA-VMPITWQZSA-N -1 0 241.237 2.432 20 0 BEADRM C/C(=C\CN1C[C@H](C)Oc2ccccc21)C(=O)[O-] ZINC000825735435 587335033 /nfs/dbraw/zinc/33/50/33/587335033.db2.gz OSJIKGRCUIOQDU-HUYFXPKMSA-N -1 0 247.294 2.305 20 0 BEADRM C/C(=C\CN1CCc2cccc(F)c21)C(=O)[O-] ZINC000825747718 587336100 /nfs/dbraw/zinc/33/61/00/587336100.db2.gz XOSMLUAUHWCFEM-WEVVVXLNSA-N -1 0 235.258 2.219 20 0 BEADRM C/C(=C\COC(=O)C(F)=C1CCCC1)C(=O)[O-] ZINC000825751717 587336810 /nfs/dbraw/zinc/33/68/10/587336810.db2.gz BTGQJBZOWDEKAI-SOFGYWHQSA-N -1 0 242.246 2.358 20 0 BEADRM C/C(=C\COC(=O)C[C@@H]1CC[C@H](C)C1)C(=O)[O-] ZINC000825758282 587337503 /nfs/dbraw/zinc/33/75/03/587337503.db2.gz GYMBPNJLMSLGPG-CVPURCMJSA-N -1 0 240.299 2.387 20 0 BEADRM C/C(=C/COC(=O)CC1=CCCCC1)C(=O)[O-] ZINC000825758985 587337811 /nfs/dbraw/zinc/33/78/11/587337811.db2.gz UEMKSVXMWWLYAX-YFHOEESVSA-N -1 0 238.283 2.451 20 0 BEADRM C/C(=C\COC(=O)CC1=CCCCC1)C(=O)[O-] ZINC000825758984 587337952 /nfs/dbraw/zinc/33/79/52/587337952.db2.gz UEMKSVXMWWLYAX-JXMROGBWSA-N -1 0 238.283 2.451 20 0 BEADRM C/C(=C\COC(=O)Cc1ccc(C)cc1)C(=O)[O-] ZINC000825765057 587338106 /nfs/dbraw/zinc/33/81/06/587338106.db2.gz LPAZBEQSPPFLDH-YRNVUSSQSA-N -1 0 248.278 2.112 20 0 BEADRM C/C(=C\COC(=O)CSC(C)(C)C)C(=O)[O-] ZINC000825765791 587338370 /nfs/dbraw/zinc/33/83/70/587338370.db2.gz XHFBLUDXDWEVDR-VMPITWQZSA-N -1 0 246.328 2.092 20 0 BEADRM C/C(=C/COC(=O)c1ccccc1C)C(=O)[O-] ZINC000825781454 587338692 /nfs/dbraw/zinc/33/86/92/587338692.db2.gz VTTOEQUFOVWYTA-YFHOEESVSA-N -1 0 234.251 2.183 20 0 BEADRM C/C(=C\COC(=O)c1cccc(F)c1)C(=O)[O-] ZINC000825780647 587338804 /nfs/dbraw/zinc/33/88/04/587338804.db2.gz GDGXLTOGFSKTAA-VMPITWQZSA-N -1 0 238.214 2.013 20 0 BEADRM C[C@@H](NC(=O)[O-])C(=O)OC1C[C@@H](C)C[C@H](C)C1 ZINC000825783819 587338969 /nfs/dbraw/zinc/33/89/69/587338969.db2.gz PFXKQVKXZKLGGT-XHNCKOQMSA-N -1 0 243.303 2.010 20 0 BEADRM C[C@H](NC(=O)[O-])C(=O)O[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000825783817 587338973 /nfs/dbraw/zinc/33/89/73/587338973.db2.gz PFXKQVKXZKLGGT-QCLAVDOMSA-N -1 0 243.303 2.010 20 0 BEADRM C/C(=C/CSc1ccc(Cl)nn1)C(=O)[O-] ZINC000825792689 587339084 /nfs/dbraw/zinc/33/90/84/587339084.db2.gz HRSJMGKHPLZTFI-XQRVVYSFSA-N -1 0 244.703 2.253 20 0 BEADRM CC(=O)CSCc1ccc(F)cc1C(=O)[O-] ZINC000825813203 587340068 /nfs/dbraw/zinc/34/00/68/587340068.db2.gz INNVGDIPOKSRAK-UHFFFAOYSA-N -1 0 242.271 2.346 20 0 BEADRM CC(=O)CS[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000825813603 587340149 /nfs/dbraw/zinc/34/01/49/587340149.db2.gz OVKOOVMJOKVHOA-SSDOTTSWSA-N -1 0 228.269 2.361 20 0 BEADRM CC(=O)[C@H](C)SCc1cc(C)c(C(=O)[O-])o1 ZINC000825808967 587340234 /nfs/dbraw/zinc/34/02/34/587340234.db2.gz KMGCTSIUEVZSJM-QMMMGPOBSA-N -1 0 242.296 2.497 20 0 BEADRM CC(=O)CS[C@H](C(=O)[O-])c1ccccc1 ZINC000825813194 587340464 /nfs/dbraw/zinc/34/04/64/587340464.db2.gz IHAFRZATPGMUNX-JTQLQIEISA-N -1 0 224.281 2.135 20 0 BEADRM C[C@H]1C[C@H]1C(=O)OCc1cccc(NC(=O)[O-])c1 ZINC000825853130 587341665 /nfs/dbraw/zinc/34/16/65/587341665.db2.gz UIKKAAQGTTZGTG-GZMMTYOYSA-N -1 0 249.266 2.476 20 0 BEADRM C[C@H]1C[C@@H]1C(=O)OCc1cccc(NC(=O)[O-])c1 ZINC000825853132 587341983 /nfs/dbraw/zinc/34/19/83/587341983.db2.gz UIKKAAQGTTZGTG-KWQFWETISA-N -1 0 249.266 2.476 20 0 BEADRM C[C@H]1CCC[C@H](C(=O)OCCCNC(=O)[O-])C1 ZINC000825880780 587343709 /nfs/dbraw/zinc/34/37/09/587343709.db2.gz QCERITQWQVMRQM-UWVGGRQHSA-N -1 0 243.303 2.014 20 0 BEADRM C[C@@H](C(=O)N(C)C(C)(C)C(=O)[O-])C1CCCC1 ZINC000825971824 587347594 /nfs/dbraw/zinc/34/75/94/587347594.db2.gz GUAXCVMFVIGSMW-SECBINFHSA-N -1 0 241.331 2.134 20 0 BEADRM C[C@H]1CN(C(=O)[O-])[C@H](c2ccccc2)CO1 ZINC000826022070 587348685 /nfs/dbraw/zinc/34/86/85/587348685.db2.gz YVAJABBRSVLLNO-ONGXEEELSA-N -1 0 221.256 2.126 20 0 BEADRM C[C@H]1CN(C(=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000826022234 587348814 /nfs/dbraw/zinc/34/88/14/587348814.db2.gz ZXSICHOOSDGTBU-CBAPKCEASA-N -1 0 227.285 2.188 20 0 BEADRM CC(C)(CNC(=O)C(F)=C1CCCC1)C(=O)[O-] ZINC000826554138 587354845 /nfs/dbraw/zinc/35/48/45/587354845.db2.gz MMHCRCRLTNQCHT-UHFFFAOYSA-N -1 0 243.278 2.011 20 0 BEADRM CCC(CC)(CNc1ccccn1)NC(=O)[O-] ZINC000826566370 587355196 /nfs/dbraw/zinc/35/51/96/587355196.db2.gz HCOADYWCRNEYOL-UHFFFAOYSA-N -1 0 237.303 2.320 20 0 BEADRM CCC(CC)CC(=O)OC[C@@H](C)NC(=O)[O-] ZINC000826572188 587355270 /nfs/dbraw/zinc/35/52/70/587355270.db2.gz SBQXNEJHNLNDEG-MRVPVSSYSA-N -1 0 231.292 2.012 20 0 BEADRM CC[C@H](CNC(=O)[O-])Oc1ccccc1C ZINC000826587099 587355775 /nfs/dbraw/zinc/35/57/75/587355775.db2.gz NPGCVZQUZIFTCD-SNVBAGLBSA-N -1 0 223.272 2.420 20 0 BEADRM CC(C)=C(C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000826642218 587357405 /nfs/dbraw/zinc/35/74/05/587357405.db2.gz SIASGQJNSVZXDO-GFCCVEGCSA-N -1 0 247.294 2.285 20 0 BEADRM CC(C)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000826669423 587358645 /nfs/dbraw/zinc/35/86/45/587358645.db2.gz IGRVCCYPTWFECD-UHFFFAOYSA-N -1 0 228.269 2.146 20 0 BEADRM CCC[C@@H](C)OC(=O)CC1(NC(=O)[O-])CCC1 ZINC000826733959 587360568 /nfs/dbraw/zinc/36/05/68/587360568.db2.gz FLXZVFYRVQLEIS-SECBINFHSA-N -1 0 243.303 2.299 20 0 BEADRM CCC[C@@H](C)OC(=O)C1(NC(=O)[O-])CCCC1 ZINC000826736740 587360852 /nfs/dbraw/zinc/36/08/52/587360852.db2.gz WJICXYLGSBDRBE-SECBINFHSA-N -1 0 243.303 2.299 20 0 BEADRM O=C(NC1CCC1)c1ccc2oc(=S)[n-]c2c1 ZINC000826760290 587361336 /nfs/dbraw/zinc/36/13/36/587361336.db2.gz HRBOVTXRMWOUNA-UHFFFAOYSA-N -1 0 248.307 2.399 20 0 BEADRM CCC[C@@H](NC(=O)[O-])c1nc(CC2CC2)no1 ZINC000826764867 587361549 /nfs/dbraw/zinc/36/15/49/587361549.db2.gz LMPNKYYDWMZXEY-MRVPVSSYSA-N -1 0 239.275 2.131 20 0 BEADRM CCCCC(=O)O[C@@H](C)[C@@H]1CCCN1C(=O)[O-] ZINC000826774279 587361773 /nfs/dbraw/zinc/36/17/73/587361773.db2.gz FEOANTBXQANWDU-UWVGGRQHSA-N -1 0 243.303 2.251 20 0 BEADRM CCCC[C@H](C)OC(=O)[C@H](CC)NC(=O)[O-] ZINC000826774943 587361949 /nfs/dbraw/zinc/36/19/49/587361949.db2.gz LYJBQASTUOLJPI-IUCAKERBSA-N -1 0 231.292 2.155 20 0 BEADRM CCCC[C@@H](CCC)NC(=O)[C@H](C)NC(=O)[O-] ZINC000826782122 587362118 /nfs/dbraw/zinc/36/21/18/587362118.db2.gz WPOBCBZHXAPKAQ-VHSXEESVSA-N -1 0 244.335 2.118 20 0 BEADRM CC12CC(C1)CN2C(=O)c1cccc(F)c1[O-] ZINC000826782867 587362283 /nfs/dbraw/zinc/36/22/83/587362283.db2.gz DRWWBCZGSUZWIX-UHFFFAOYSA-N -1 0 235.258 2.156 20 0 BEADRM CC(C)C[C@H](OC(=O)CSC(C)C)C(=O)[O-] ZINC000826812239 587363029 /nfs/dbraw/zinc/36/30/29/587363029.db2.gz HWLKJPOGIDSVNY-VIFPVBQESA-N -1 0 248.344 2.171 20 0 BEADRM CC(C)C[C@@H](OC(=O)C[C@@H]1C=CCC1)C(=O)[O-] ZINC000826812672 587363063 /nfs/dbraw/zinc/36/30/63/587363063.db2.gz LPZXXTVLOYSDEB-GHMZBOCLSA-N -1 0 240.299 2.385 20 0 BEADRM CCCCCCC(=O)NCC(C)(C)NC(=O)[O-] ZINC000826819577 587363223 /nfs/dbraw/zinc/36/32/23/587363223.db2.gz FITUCHLSSSFDLI-UHFFFAOYSA-N -1 0 244.335 2.119 20 0 BEADRM CCCCOC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000826842720 587363928 /nfs/dbraw/zinc/36/39/28/587363928.db2.gz UVFOKIXVPWMIMG-UHFFFAOYSA-N -1 0 243.303 2.158 20 0 BEADRM CCN(C(=O)[O-])[C@@H](COC)Cc1ccccc1 ZINC000826980020 587367073 /nfs/dbraw/zinc/36/70/73/587367073.db2.gz QWDPSGYXBYYPTA-GFCCVEGCSA-N -1 0 237.299 2.244 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000827240288 587373641 /nfs/dbraw/zinc/37/36/41/587373641.db2.gz JEHDJLKTEFUJSI-MNOVXSKESA-N -1 0 249.310 2.317 20 0 BEADRM CC(C)N(C(=O)[C@H](C)CC(=O)[O-])C1CCCC1 ZINC000827240462 587373811 /nfs/dbraw/zinc/37/38/11/587373811.db2.gz KXBSAAWMCNIDKX-SNVBAGLBSA-N -1 0 241.331 2.277 20 0 BEADRM C[C@@H](CC(=O)[O-])C(=O)N1C2CCCC1CCC2 ZINC000827247285 587373838 /nfs/dbraw/zinc/37/38/38/587373838.db2.gz KZXPCFZOLCGDNQ-WHXUTIOJSA-N -1 0 239.315 2.031 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)N1C[C@H](C)c2ccccc21 ZINC000827247761 587373882 /nfs/dbraw/zinc/37/38/82/587373882.db2.gz QORKTMTWLBDCHE-ZJUUUORDSA-N -1 0 247.294 2.248 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)N1Cc2ccccc2[C@@H]1C ZINC000827261911 587374330 /nfs/dbraw/zinc/37/43/30/587374330.db2.gz CLVJRTMTRSEJEE-ZJUUUORDSA-N -1 0 247.294 2.201 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCCCC1(C)C ZINC000827273753 587374913 /nfs/dbraw/zinc/37/49/13/587374913.db2.gz TUWNSHPBOQPWRJ-NXEZZACHSA-N -1 0 241.331 2.182 20 0 BEADRM CCNc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000827274584 587374944 /nfs/dbraw/zinc/37/49/44/587374944.db2.gz JCQFHZRKPCXGLK-QMMMGPOBSA-N -1 0 208.261 2.447 20 0 BEADRM C[C@@H](CC(=O)[O-])C(=O)NC1CCC(C)(C)CC1 ZINC000827274964 587375048 /nfs/dbraw/zinc/37/50/48/587375048.db2.gz YWSRRTJMAUDHPD-VIFPVBQESA-N -1 0 241.331 2.182 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)NC[C@@H](C)c1ccccc1 ZINC000827282789 587375182 /nfs/dbraw/zinc/37/51/82/587375182.db2.gz TVDDQDZQSQANCW-GHMZBOCLSA-N -1 0 249.310 2.017 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)Nc1cccc(F)c1F ZINC000827318519 587377022 /nfs/dbraw/zinc/37/70/22/587377022.db2.gz XKABZBIABHLIGU-ZCFIWIBFSA-N -1 0 243.209 2.014 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)O[C@H](C)c1cccs1 ZINC000827325239 587377227 /nfs/dbraw/zinc/37/72/27/587377227.db2.gz RBZNMKYKPJMOCT-HTQZYQBOSA-N -1 0 242.296 2.463 20 0 BEADRM C[C@@H](CC(=O)[O-])C(=O)OC/C=C/c1ccccc1 ZINC000827341709 587377846 /nfs/dbraw/zinc/37/78/46/587377846.db2.gz KWVKKCXSGCBEPN-BWNDKRECSA-N -1 0 248.278 2.354 20 0 BEADRM CCOC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000827350365 587377892 /nfs/dbraw/zinc/37/78/92/587377892.db2.gz UFKJXFWHJYYFBB-UHFFFAOYSA-N -1 0 223.228 2.262 20 0 BEADRM C[C@@H](CCC(C)(C)C)NC(=O)[C@@H](C)CC(=O)[O-] ZINC000827403602 587379983 /nfs/dbraw/zinc/37/99/83/587379983.db2.gz CXQACWBMNPLACP-UWVGGRQHSA-N -1 0 243.347 2.428 20 0 BEADRM CCS[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000827494651 587381084 /nfs/dbraw/zinc/38/10/84/587381084.db2.gz CDAPGFOJEBOZER-YUMQZZPRSA-N -1 0 203.307 2.318 20 0 BEADRM CCS[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000827494650 587381299 /nfs/dbraw/zinc/38/12/99/587381299.db2.gz CDAPGFOJEBOZER-SFYZADRCSA-N -1 0 203.307 2.318 20 0 BEADRM CCS[C@H]1CCCC[C@@H]1NC(=O)[O-] ZINC000827504081 587384123 /nfs/dbraw/zinc/38/41/23/587384123.db2.gz QTPJIEFHHTWKDX-YUMQZZPRSA-N -1 0 203.307 2.318 20 0 BEADRM CCS[C@@H]1CCCC[C@H]1NC(=O)[O-] ZINC000827504078 587384163 /nfs/dbraw/zinc/38/41/63/587384163.db2.gz QTPJIEFHHTWKDX-HTQZYQBOSA-N -1 0 203.307 2.318 20 0 BEADRM CC(C)(F)CNC(=O)c1cc(F)cc(F)c1[O-] ZINC000827806025 587403881 /nfs/dbraw/zinc/40/38/81/587403881.db2.gz LJCIVHHOUGSKLT-UHFFFAOYSA-N -1 0 247.216 2.148 20 0 BEADRM C[C@@H](SCOC(=O)c1ccccc1)C(=O)[O-] ZINC000827908137 587409426 /nfs/dbraw/zinc/40/94/26/587409426.db2.gz FMEXMIGRLKWXRO-MRVPVSSYSA-N -1 0 240.280 2.007 20 0 BEADRM C[C@H](Sc1ccnc(C(C)(C)C)n1)C(=O)[O-] ZINC000827921846 587410140 /nfs/dbraw/zinc/41/01/40/587410140.db2.gz IXDJCGXYEJASLK-ZETCQYMHSA-N -1 0 240.328 2.339 20 0 BEADRM CN(CC(=O)OCCCC1CCCC1)C(=O)[O-] ZINC000828120288 587420148 /nfs/dbraw/zinc/42/01/48/587420148.db2.gz IOXDFAVFAUBCJS-UHFFFAOYSA-N -1 0 243.303 2.110 20 0 BEADRM CCCCC[C@@H](NC(=O)[C@@H](C)C1CC1)C(=O)[O-] ZINC000828133155 587420671 /nfs/dbraw/zinc/42/06/71/587420671.db2.gz OORFTCZXVYGJTE-GXSJLCMTSA-N -1 0 241.331 2.182 20 0 BEADRM CC1CC(C(=O)O[C@H](C(=O)[O-])c2ccccc2)C1 ZINC000828156927 587422144 /nfs/dbraw/zinc/42/21/44/587422144.db2.gz UYCSTINBHFACCL-NHNAUAITSA-N -1 0 248.278 2.402 20 0 BEADRM C[C@@H]1CC/C(=C\C(=O)N(C)C(C)(C)C(=O)[O-])C1 ZINC000828201893 587423799 /nfs/dbraw/zinc/42/37/99/587423799.db2.gz WZWGOHCXPIUCCD-NCXKZPMSSA-N -1 0 239.315 2.054 20 0 BEADRM C[C@@H](CC(=O)[O-])C(=O)N(C)C1CCC(C)CC1 ZINC000828225462 587425682 /nfs/dbraw/zinc/42/56/82/587425682.db2.gz AGQORTLYZVWEFN-YVNMAJEFSA-N -1 0 241.331 2.134 20 0 BEADRM CN(CC[NH2+][C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000828329376 587435382 /nfs/dbraw/zinc/43/53/82/587435382.db2.gz CHEOAMMKFUCBRO-ZDUSSCGKSA-N -1 0 248.326 2.263 20 0 BEADRM O=C([N-]OCc1ccc(F)cc1)[C@H]1CC1(F)F ZINC000828407717 587440369 /nfs/dbraw/zinc/44/03/69/587440369.db2.gz IIQXXNIVQQJOSE-SECBINFHSA-N -1 0 245.200 2.029 20 0 BEADRM O=C([N-]OCc1ccc(F)cc1)[C@@H]1CC1(F)F ZINC000828407719 587440425 /nfs/dbraw/zinc/44/04/25/587440425.db2.gz IIQXXNIVQQJOSE-VIFPVBQESA-N -1 0 245.200 2.029 20 0 BEADRM C/C=C(/C)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC000828534890 587448068 /nfs/dbraw/zinc/44/80/68/587448068.db2.gz SCRLQLCFODNWRP-BAQGIRSFSA-N -1 0 220.224 2.256 20 0 BEADRM C/C=C(/C)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000828535202 587448813 /nfs/dbraw/zinc/44/88/13/587448813.db2.gz YQRJTQQAQANFHQ-WTKPLQERSA-N -1 0 233.267 2.314 20 0 BEADRM C/C=C(/C)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000828534288 587448844 /nfs/dbraw/zinc/44/88/44/587448844.db2.gz HHQIOJBQRJHIEU-OQFOIZHKSA-N -1 0 234.251 2.394 20 0 BEADRM C/C=C(/C)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000828535171 587448892 /nfs/dbraw/zinc/44/88/92/587448892.db2.gz XSJVBXWMNYQMEU-CLTKARDFSA-N -1 0 240.280 2.456 20 0 BEADRM C/C=C(/C=C/C(=O)N(CC)CCC(=O)[O-])CC ZINC000828534282 587449023 /nfs/dbraw/zinc/44/90/23/587449023.db2.gz GWYJIRWAVMPOPY-IQBRCHOFSA-N -1 0 239.315 2.222 20 0 BEADRM CCC(=CC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)CC ZINC000828549135 587450235 /nfs/dbraw/zinc/45/02/35/587450235.db2.gz IRCSFVMZOQWXFN-JOYOIKCWSA-N -1 0 241.331 2.348 20 0 BEADRM CCC(=O)OCc1cc(C(=O)[O-])sc1C ZINC000828574128 587451140 /nfs/dbraw/zinc/45/11/40/587451140.db2.gz JLCJRWXGPDQGMD-UHFFFAOYSA-N -1 0 228.269 2.208 20 0 BEADRM CCC(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000828573932 587451148 /nfs/dbraw/zinc/45/11/48/587451148.db2.gz FYXVAWFRFZBUTK-ZETCQYMHSA-N -1 0 226.228 2.300 20 0 BEADRM CCC(C)(C)CCOC(=O)[C@H](C)CC(=O)[O-] ZINC000828608571 587453320 /nfs/dbraw/zinc/45/33/20/587453320.db2.gz CZFMCXSCCNNVRP-SECBINFHSA-N -1 0 230.304 2.467 20 0 BEADRM CC[C@@](C)(NC(=O)[C@H](C)C1CCCC1)C(=O)[O-] ZINC000828685955 587457628 /nfs/dbraw/zinc/45/76/28/587457628.db2.gz TUTNIKAGIOZIMW-NOZJJQNGSA-N -1 0 241.331 2.182 20 0 BEADRM CC[C@H](C)c1ccc(C(=O)OCC(=O)[O-])cc1 ZINC000828764181 587460478 /nfs/dbraw/zinc/46/04/78/587460478.db2.gz HPNMTJJRUBPEDF-VIFPVBQESA-N -1 0 236.267 2.442 20 0 BEADRM CCC(CC)(CC)CNC(=O)[C@H](C)CC(=O)[O-] ZINC000828811049 587463269 /nfs/dbraw/zinc/46/32/69/587463269.db2.gz YPGNIQDFKWNPPY-SNVBAGLBSA-N -1 0 243.347 2.430 20 0 BEADRM CCC(CC)N(C(=O)[C@@H](C)CC(=O)[O-])C1CC1 ZINC000828858904 587466766 /nfs/dbraw/zinc/46/67/66/587466766.db2.gz FYTQKMPLTUXPRO-VIFPVBQESA-N -1 0 241.331 2.277 20 0 BEADRM CC[C@H](Nc1ccc2c(c1)C(=O)CCC2)C(=O)[O-] ZINC000828999252 587478422 /nfs/dbraw/zinc/47/84/22/587478422.db2.gz WCBIDMVBXIUTDP-LBPRGKRZSA-N -1 0 247.294 2.481 20 0 BEADRM CC[C@H](SCC(=O)C(C)(C)C)C(=O)[O-] ZINC000829021556 587478543 /nfs/dbraw/zinc/47/85/43/587478543.db2.gz VCFACYRTZJXDLS-ZETCQYMHSA-N -1 0 218.318 2.198 20 0 BEADRM CC[C@@H](Nc1ccc2c(c1)C(=O)CCC2)C(=O)[O-] ZINC000828999251 587478672 /nfs/dbraw/zinc/47/86/72/587478672.db2.gz WCBIDMVBXIUTDP-GFCCVEGCSA-N -1 0 247.294 2.481 20 0 BEADRM COCCOc1cc(C)ccc1NC(=O)[O-] ZINC000829008164 587479234 /nfs/dbraw/zinc/47/92/34/587479234.db2.gz VSQRBOXTXNQDJV-UHFFFAOYSA-N -1 0 225.244 2.110 20 0 BEADRM 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981817162 /nfs/dbraw/zinc/81/71/62/981817162.db2.gz RTVIZAKFXKQXNL-QMMMGPOBSA-N -1 0 248.282 2.008 20 0 BEADRM CCCC[C@@H](CC)C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001595631945 981847057 /nfs/dbraw/zinc/84/70/57/981847057.db2.gz LFSYYNIQEXUWGC-MXWKQRLJSA-N -1 0 241.331 2.182 20 0 BEADRM C[C@H](C(=O)[O-])c1noc(C2(C)CCCCC2)n1 ZINC001588601715 981858801 /nfs/dbraw/zinc/85/88/01/981858801.db2.gz ADWAQVMEYSTCJH-QMMMGPOBSA-N -1 0 238.287 2.480 20 0 BEADRM O=C([O-])/C=C/c1ccc(-c2cncnc2)cc1 ZINC001250598206 981862800 /nfs/dbraw/zinc/86/28/00/981862800.db2.gz OHZNJMJXBCUTRR-ZZXKWVIFSA-N -1 0 226.235 2.241 20 0 BEADRM CC[C@H](C)COC(=O)N=c1nc(C)[n-]s1 ZINC001194757060 981885403 /nfs/dbraw/zinc/88/54/03/981885403.db2.gz YHSNEHBIJQMYOG-LURJTMIESA-N -1 0 229.305 2.441 20 0 BEADRM Cc1cc(-c2ccc(C(=O)[O-])s2)c(=O)n(C)c1 ZINC001240849426 981887018 /nfs/dbraw/zinc/88/70/18/981887018.db2.gz QENAJTKSWWSVLW-UHFFFAOYSA-N -1 0 249.291 2.120 20 0 BEADRM O=C([O-])c1ccc(-c2ccc3n[nH]nc3c2)s1 ZINC001240847531 981887138 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C[C@H]1CC[C@@H](OC(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC001589313304 982709502 /nfs/dbraw/zinc/70/95/02/982709502.db2.gz OGIFFXZLQININU-VHSXEESVSA-N -1 0 238.283 2.139 20 0 BEADRM C[C@@H]1CC[C@@H](OC(=O)[C@H](C(=O)[O-])C(C)(C)C)C1 ZINC001589313389 982710843 /nfs/dbraw/zinc/71/08/43/982710843.db2.gz RUCIIOIYQXFDII-BBBLOLIVSA-N -1 0 242.315 2.465 20 0 BEADRM C[C@H](C(=O)[O-])c1noc(C2=CC[C@@H](C)CC2)n1 ZINC001589299305 982712369 /nfs/dbraw/zinc/71/23/69/982712369.db2.gz JEPZVKAPGLAOEK-SFYZADRCSA-N -1 0 236.271 2.461 20 0 BEADRM CC[C@H](C)COC(=O)C[C@H](C)CC(=O)[O-] ZINC001594964498 982719037 /nfs/dbraw/zinc/71/90/37/982719037.db2.gz JTGAWQAROLUGJM-DTWKUNHWSA-N -1 0 216.277 2.077 20 0 BEADRM C[C@@H]1CCN1C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001589361422 982741411 /nfs/dbraw/zinc/74/14/11/982741411.db2.gz IWNVHJSTOWSFSO-SNVBAGLBSA-N -1 0 239.315 2.032 20 0 BEADRM CC(C)=CCSc1ccc(-c2nn[nH]n2)cn1 ZINC001589380246 982751743 /nfs/dbraw/zinc/75/17/43/982751743.db2.gz QROKIPGZPADNAL-UHFFFAOYSA-N -1 0 247.327 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Cc1csc([C@H](C)[N-]C(=O)C(F)(F)F)n1 ZINC000112466992 588799151 /nfs/dbraw/zinc/79/91/51/588799151.db2.gz VFNCWJFEJNFQPO-YFKPBYRVSA-N -1 0 238.234 2.191 20 0 BEADRM Cc1csc([C@H](C)C(=O)[N-]OC(C)C)n1 ZINC000854753996 588805646 /nfs/dbraw/zinc/80/56/46/588805646.db2.gz IWCBRTDQADODNO-MRVPVSSYSA-N -1 0 228.317 2.011 20 0 BEADRM CCCO[N-]C(=O)[C@@H](OCC)c1ccccc1 ZINC000844082342 582568650 /nfs/dbraw/zinc/56/86/50/582568650.db2.gz BFDVYHWZNPJZGB-LBPRGKRZSA-N -1 0 237.299 2.222 20 0 BEADRM CCC(C)(C)OCC(=O)[N-]OCC1CCC1 ZINC000856344485 588868362 /nfs/dbraw/zinc/86/83/62/588868362.db2.gz PSMXGEQAKNFMOK-UHFFFAOYSA-N -1 0 229.320 2.040 20 0 BEADRM Cc1ncoc1CNCc1ccc(O)c(F)c1 ZINC000894287205 583411435 /nfs/dbraw/zinc/41/14/35/583411435.db2.gz BKBVNNGMPPZRRT-UHFFFAOYSA-N -1 0 236.246 2.118 20 0 BEADRM CCCC(CCC)C(=O)NCC1(C(=O)[O-])CC1 ZINC000211843868 583585722 /nfs/dbraw/zinc/58/57/22/583585722.db2.gz PXQGMKILWSCDTK-UHFFFAOYSA-N -1 0 241.331 2.184 20 0 BEADRM CC[C@@H](C)CO[N-]C(=O)CC(C)(F)F ZINC000794864248 583623633 /nfs/dbraw/zinc/62/36/33/583623633.db2.gz LJJRVRHIBSNQSY-SSDOTTSWSA-N -1 0 209.236 2.126 20 0 BEADRM C[C@@H](OC(=O)[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000737704904 583662646 /nfs/dbraw/zinc/66/26/46/583662646.db2.gz KOQGKDFSTYSDAB-SKDRFNHKSA-N -1 0 248.278 2.123 20 0 BEADRM CC(C)COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000115777578 588930457 /nfs/dbraw/zinc/93/04/57/588930457.db2.gz ADNZLVKGADCPFH-VHSXEESVSA-N -1 0 228.288 2.077 20 0 BEADRM O=C([O-])C[C@H]1CN(CC2CC2)c2ccccc21 ZINC000148039581 583831207 /nfs/dbraw/zinc/83/12/07/583831207.db2.gz NMRVLBOJHSHTRK-NSHDSACASA-N -1 0 231.295 2.475 20 0 BEADRM O=C([O-])C[C@@H]1CN(CC2CC2)c2ccccc21 ZINC000148039404 583831275 /nfs/dbraw/zinc/83/12/75/583831275.db2.gz NMRVLBOJHSHTRK-LLVKDONJSA-N -1 0 231.295 2.475 20 0 BEADRM C/C(=C/CSc1ccncc1)C(=O)[O-] ZINC000211167379 583840306 /nfs/dbraw/zinc/84/03/06/583840306.db2.gz VJZDYXBBPNUSMY-YWEYNIOJSA-N -1 0 209.270 2.205 20 0 BEADRM CCO[C@@H](C(=O)[N-]OCc1ccccc1)C1CC1 ZINC000858167190 588936659 /nfs/dbraw/zinc/93/66/59/588936659.db2.gz MRJNLEFQLDRVOQ-CYBMUJFWSA-N -1 0 249.310 2.050 20 0 BEADRM C[C@@H]1CCCCN1c1cc(Cl)[nH]c(=O)n1 ZINC000858311824 588943835 /nfs/dbraw/zinc/94/38/35/588943835.db2.gz NHVHSYYYFGOFSO-SSDOTTSWSA-N -1 0 227.695 2.214 20 0 BEADRM O=c1cc(C2CCCC2)[n-]n1Cc1cccnc1 ZINC000871944459 583943990 /nfs/dbraw/zinc/94/39/90/583943990.db2.gz MWQJSEHLFMKCNA-UHFFFAOYSA-N -1 0 243.310 2.360 20 0 BEADRM CC[C@H](CC(=O)N[C@@H](C)CC(=O)[O-])C(C)C ZINC000123840596 583943994 /nfs/dbraw/zinc/94/39/94/583943994.db2.gz MTUXHUGCWWKVIP-VHSXEESVSA-N -1 0 229.320 2.038 20 0 BEADRM CCO[N-]C(=O)C(C)(C)c1cccc(OC)c1 ZINC000864688367 584012452 /nfs/dbraw/zinc/01/24/52/584012452.db2.gz ABKYQPGGBHYJQT-UHFFFAOYSA-N -1 0 237.299 2.041 20 0 BEADRM CSCCCCC(=O)O[C@H](C(=O)[O-])C(C)C ZINC000738191206 584124968 /nfs/dbraw/zinc/12/49/68/584124968.db2.gz RRCFTAVJZHJSTL-JTQLQIEISA-N -1 0 248.344 2.172 20 0 BEADRM CCC[C@@H](CC)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000872696280 584126967 /nfs/dbraw/zinc/12/69/67/584126967.db2.gz PLKJDRJUOFQXQS-MNOVXSKESA-N -1 0 241.331 2.136 20 0 BEADRM O=C([N-]Oc1ccc(F)cc1)[C@@H]1CC12CCC2 ZINC000898572977 584142670 /nfs/dbraw/zinc/14/26/70/584142670.db2.gz GARRXGAXVGECNX-NSHDSACASA-N -1 0 235.258 2.426 20 0 BEADRM CCC(CC)Cn1[n-]c([C@@H](C)OC)cc1=O ZINC000899353560 584200337 /nfs/dbraw/zinc/20/03/37/584200337.db2.gz RKKMJVRCOWQTHO-SECBINFHSA-N -1 0 226.320 2.046 20 0 BEADRM CC(C)n1[n-]c(C2CC2)c(C(F)(F)F)c1=O ZINC000899349269 584202637 /nfs/dbraw/zinc/20/26/37/584202637.db2.gz ZVYJMDPHPZQCFX-ZETCQYMHSA-N -1 0 234.221 2.182 20 0 BEADRM CC[C@H](C)n1ncc2c(O)ccc(F)c2c1=O ZINC000899356411 584204568 /nfs/dbraw/zinc/20/45/68/584204568.db2.gz YNKJQBOBDZTPQX-ZETCQYMHSA-N -1 0 236.246 2.212 20 0 BEADRM CO[C@H](C)c1cc(=O)n([C@H](C)C(C)(C)C)[n-]1 ZINC000899357026 584206135 /nfs/dbraw/zinc/20/61/35/584206135.db2.gz ZPCVUCQZADQCRT-RKDXNWHRSA-N -1 0 226.320 2.044 20 0 BEADRM CCCc1cc(=O)n(C2C[C@H](C)O[C@@H](C)C2)[n-]1 ZINC000899360425 584207041 /nfs/dbraw/zinc/20/70/41/584207041.db2.gz MNGOHFPIKIZZII-UWVGGRQHSA-N -1 0 238.331 2.331 20 0 BEADRM CC/C=C\CNC(=O)[C@@H](CC(=O)[O-])CC(C)C ZINC000899788252 584237559 /nfs/dbraw/zinc/23/75/59/584237559.db2.gz FFKGPSMGQUWPJM-ISALQUGTSA-N -1 0 241.331 2.206 20 0 BEADRM CCCCN(C)C(=O)[C@@H](CC(=O)[O-])CC(C)C ZINC000899810776 584238509 /nfs/dbraw/zinc/23/85/09/584238509.db2.gz IHJPFUULDHASCS-LLVKDONJSA-N -1 0 243.347 2.382 20 0 BEADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N(C)C1CCC1 ZINC000899810161 584238766 /nfs/dbraw/zinc/23/87/66/584238766.db2.gz TYDNQXLBDGKQTB-JTQLQIEISA-N -1 0 241.331 2.134 20 0 BEADRM O=Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000899869678 584244457 /nfs/dbraw/zinc/24/44/57/584244457.db2.gz HMORHFRNWPTNTC-UHFFFAOYSA-N -1 0 233.248 2.321 20 0 BEADRM CC[C@@H](CNc1cc(C)nc(C2CC2)n1)C(=O)[O-] ZINC000900973793 584369912 /nfs/dbraw/zinc/36/99/12/584369912.db2.gz HWILOMSAFOFRGE-VIFPVBQESA-N -1 0 249.314 2.185 20 0 BEADRM CC(C)c1nccc(N[C@@H]2CCC[C@@H]2C(=O)[O-])n1 ZINC000900978690 584371387 /nfs/dbraw/zinc/37/13/87/584371387.db2.gz ODOMRIKXNRNNHF-VHSXEESVSA-N -1 0 249.314 2.265 20 0 BEADRM Cc1nc(NC/C=C/Cl)sc1C(=O)[O-] ZINC000900988491 584373314 /nfs/dbraw/zinc/37/33/14/584373314.db2.gz XYPGQEUMRKDTAK-NSCUHMNNSA-N -1 0 232.692 2.314 20 0 BEADRM CC(C)c1nn(C)cc1-c1ccc(C(=O)[O-])cn1 ZINC000901004842 584373930 /nfs/dbraw/zinc/37/39/30/584373930.db2.gz VNBCSVHRYDTWTQ-UHFFFAOYSA-N -1 0 245.282 2.304 20 0 BEADRM Cc1cnccc1-c1cnn([C@H](C)CC(=O)[O-])c1 ZINC000901041425 584376927 /nfs/dbraw/zinc/37/69/27/584376927.db2.gz NDAHIROIHDRGEO-SNVBAGLBSA-N -1 0 245.282 2.289 20 0 BEADRM CCn1cc(-c2cc(C)nn2CC)cc1C(=O)[O-] ZINC000901047608 584378414 /nfs/dbraw/zinc/37/84/14/584378414.db2.gz KIYKNBJRKMBTJW-UHFFFAOYSA-N -1 0 247.298 2.398 20 0 BEADRM O=C([O-])c1ccc(-c2cnc(C3CC3)o2)nc1 ZINC000901050700 584379039 /nfs/dbraw/zinc/37/90/39/584379039.db2.gz JMMRVPRQDLPOFX-UHFFFAOYSA-N -1 0 230.223 2.312 20 0 BEADRM CC(C)=C(C)CC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000901569442 584466357 /nfs/dbraw/zinc/46/63/57/584466357.db2.gz NKSHWBOERBGCQR-CYBMUJFWSA-N -1 0 239.315 2.056 20 0 BEADRM CCc1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)cc1 ZINC000901580315 584466982 /nfs/dbraw/zinc/46/69/82/584466982.db2.gz ASHIUHQHQVZRHM-OTYXRUKQSA-N -1 0 247.294 2.298 20 0 BEADRM C[C@@H]1OCC[C@H]1Nc1ccc(CCC(=O)[O-])cc1 ZINC000901638747 584473238 /nfs/dbraw/zinc/47/32/38/584473238.db2.gz DFBUZSUVEXZQKR-GXFFZTMASA-N -1 0 249.310 2.293 20 0 BEADRM O=C([O-])Cc1cccc(NCC2(F)CC2)c1 ZINC000901663719 584477289 /nfs/dbraw/zinc/47/72/89/584477289.db2.gz UVJPKYNJJVYHNX-UHFFFAOYSA-N -1 0 223.247 2.228 20 0 BEADRM C[C@@H]1CCCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901759549 584490238 /nfs/dbraw/zinc/49/02/38/584490238.db2.gz NDABVMFILNDNMI-XRVBUDJMSA-N -1 0 249.266 2.002 20 0 BEADRM C[C@H](C(=O)[O-])c1cccc(N[C@H]2CO[C@H](C)C2)c1 ZINC000901816554 584496597 /nfs/dbraw/zinc/49/65/97/584496597.db2.gz VIJOOTMATMMFNQ-GBIKHYSHSA-N -1 0 249.310 2.464 20 0 BEADRM CCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)C1CC1 ZINC000901813137 584498796 /nfs/dbraw/zinc/49/87/96/584498796.db2.gz DUJISHNAYKOOIN-AATRIKPKSA-N -1 0 249.266 2.002 20 0 BEADRM C[C@H](C(=O)[O-])c1cccc(N[C@@H]2CCO[C@@H]2C)c1 ZINC000901814509 584499381 /nfs/dbraw/zinc/49/93/81/584499381.db2.gz IGLBMJWFNALDJS-OPQQBVKSSA-N -1 0 249.310 2.464 20 0 BEADRM C[C@H](C(=O)[O-])c1cccc(N[C@@H]2CCOC2)c1 ZINC000901813849 584499447 /nfs/dbraw/zinc/49/94/47/584499447.db2.gz DYTTYKSIWNHSLG-JOYOIKCWSA-N -1 0 235.283 2.076 20 0 BEADRM CC[C@@H](C)C[C@H](C)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000901865570 584500839 /nfs/dbraw/zinc/50/08/39/584500839.db2.gz QCCZKOHMGSPJDR-LMLFDSFASA-N -1 0 241.331 2.038 20 0 BEADRM CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000901865569 584500848 /nfs/dbraw/zinc/50/08/48/584500848.db2.gz QCCZKOHMGSPJDR-GWOFURMSSA-N -1 0 241.331 2.038 20 0 BEADRM CC/C=C(\F)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000901999476 584511318 /nfs/dbraw/zinc/51/13/18/584511318.db2.gz RFSDPDCCUFRCFI-QFQXNISHSA-N -1 0 243.278 2.106 20 0 BEADRM O=C([O-])/C=C\c1cc(C(=O)N2CCCCC2)co1 ZINC000901980632 584512114 /nfs/dbraw/zinc/51/21/14/584512114.db2.gz QPMULLQPAQQZHF-PLNGDYQASA-N -1 0 249.266 2.004 20 0 BEADRM CC[C@@H]1CCC[C@]1(C)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000902022825 584512408 /nfs/dbraw/zinc/51/24/08/584512408.db2.gz RETBUGDNNGKRNP-BREBYQMCSA-N -1 0 241.331 2.040 20 0 BEADRM CCC(=CC(=O)Nc1cncc(C(=O)[O-])c1)CC ZINC000902040130 584515353 /nfs/dbraw/zinc/51/53/53/584515353.db2.gz ZQGQMRRVXMDPKD-UHFFFAOYSA-N -1 0 248.282 2.465 20 0 BEADRM COc1cccc(NC2CC(C)(C(=O)[O-])C2)c1 ZINC000902052259 584517957 /nfs/dbraw/zinc/51/79/57/584517957.db2.gz XHLFMDVORVZMCF-UHFFFAOYSA-N -1 0 235.283 2.360 20 0 BEADRM O=C([O-])/C=C\c1ccc(C[NH+]2CCCCC2)o1 ZINC000902128646 584529658 /nfs/dbraw/zinc/52/96/58/584529658.db2.gz BCNIFKSBAJITEI-SREVYHEPSA-N -1 0 235.283 2.363 20 0 BEADRM C/C=C/CNC(=O)C1(C(=O)[O-])CCCCCC1 ZINC000902198683 584537332 /nfs/dbraw/zinc/53/73/32/584537332.db2.gz XTTVOUQARIVLES-NSCUHMNNSA-N -1 0 239.315 2.104 20 0 BEADRM O=C([O-])c1ccc(CNCC(F)F)cc1Cl ZINC000902240901 584541157 /nfs/dbraw/zinc/54/11/57/584541157.db2.gz XXEUGLNELFMKLL-UHFFFAOYSA-N -1 0 249.644 2.393 20 0 BEADRM Cc1sccc1NC(=O)[C@H](C(=O)[O-])C(C)C ZINC000902337275 584565051 /nfs/dbraw/zinc/56/50/51/584565051.db2.gz LINJTLJAIJRLDJ-SECBINFHSA-N -1 0 241.312 2.352 20 0 BEADRM CCC[C@H](C)CCNC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000902678661 584652666 /nfs/dbraw/zinc/65/26/66/584652666.db2.gz CIZJZMDRIKLPMX-HBNTYKKESA-N -1 0 241.331 2.040 20 0 BEADRM C[C@H](C(=O)[O-])C(=O)Nc1cscc1Cl ZINC000902667854 584654226 /nfs/dbraw/zinc/65/42/26/584654226.db2.gz WNLPXSLSYLOYEU-BYPYZUCNSA-N -1 0 233.676 2.061 20 0 BEADRM CC(C)(/C=C\Cl)NC(=O)CCCCC(=O)[O-] ZINC000902868490 584683328 /nfs/dbraw/zinc/68/33/28/584683328.db2.gz MHCMUTCBNIENBJ-FPLPWBNLSA-N -1 0 247.722 2.279 20 0 BEADRM CCCCC[C@@H](N=c1nn[n-]n1C)C(C)(C)C ZINC000746466575 584725881 /nfs/dbraw/zinc/72/58/81/584725881.db2.gz SCIRVCSUAFPHEL-SNVBAGLBSA-N -1 0 239.367 2.039 20 0 BEADRM Cc1ccc(F)c(CN(C)CCC(=O)[O-])c1F ZINC000903401600 584760691 /nfs/dbraw/zinc/76/06/91/584760691.db2.gz UPOGLALJSPPQMP-UHFFFAOYSA-N -1 0 243.253 2.180 20 0 BEADRM CC[C@H](C)[N@@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903920163 584823217 /nfs/dbraw/zinc/82/32/17/584823217.db2.gz DDZATFUBOQOILI-JTQLQIEISA-N -1 0 249.310 2.378 20 0 BEADRM CCc1ccc2c(c1)CCN2C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903963098 584829150 /nfs/dbraw/zinc/82/91/50/584829150.db2.gz UNWGRVUSPYRHBC-QWHCGFSZSA-N -1 0 245.322 2.332 20 0 BEADRM CSc1c(F)cccc1N[C@@H](C)C(=O)[O-] ZINC000904252089 584857116 /nfs/dbraw/zinc/85/71/16/584857116.db2.gz SMENNZOUWWNLAX-LURJTMIESA-N -1 0 229.276 2.433 20 0 BEADRM CCC(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000828556148 584903901 /nfs/dbraw/zinc/90/39/01/584903901.db2.gz BAMRCYCMPACFSN-LBPRGKRZSA-N -1 0 249.310 2.461 20 0 BEADRM C/C(=C\CN(CC(F)F)CC1CCC1)C(=O)[O-] ZINC000833382019 584912706 /nfs/dbraw/zinc/91/27/06/584912706.db2.gz GESQEJJOQWWVKW-WEVVVXLNSA-N -1 0 247.285 2.385 20 0 BEADRM COc1cc(F)c([C@@H](C)NC(=O)[O-])cc1OC ZINC000737888784 584943557 /nfs/dbraw/zinc/94/35/57/584943557.db2.gz IVLOXDDDCCHGKR-ZCFIWIBFSA-N -1 0 243.234 2.172 20 0 BEADRM CC(C)=CC(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736344012 584998430 /nfs/dbraw/zinc/99/84/30/584998430.db2.gz PKBAREMOJHXHFR-UHFFFAOYSA-N -1 0 234.251 2.185 20 0 BEADRM CC(C)[C@H](C)C(=O)OCc1occc1C(=O)[O-] ZINC000736355279 584998707 /nfs/dbraw/zinc/99/87/07/584998707.db2.gz OBPQMOGAJQHLHN-QMMMGPOBSA-N -1 0 240.255 2.313 20 0 BEADRM CC(C)C[C@H](OC(=O)[C@@H](C)C(C)C)C(=O)[O-] ZINC000736426509 585001624 /nfs/dbraw/zinc/00/16/24/585001624.db2.gz PSKVUAASADIJOV-UWVGGRQHSA-N -1 0 230.304 2.321 20 0 BEADRM CC(C)C[C@H](OC(=O)CCC1CC1)C(=O)[O-] ZINC000736428082 585001772 /nfs/dbraw/zinc/00/17/72/585001772.db2.gz UAKXIWOMWMTIRS-JTQLQIEISA-N -1 0 228.288 2.219 20 0 BEADRM CC(C)c1nc([C@H]2CCCN2C(=O)[O-])no1 ZINC000736524388 585004648 /nfs/dbraw/zinc/00/46/48/585004648.db2.gz BIOKYXBPAMUGFO-SSDOTTSWSA-N -1 0 225.248 2.008 20 0 BEADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccn1)C1CC1 ZINC000736548313 585005598 /nfs/dbraw/zinc/00/55/98/585005598.db2.gz KFFQMXUTPXLBCO-QMMMGPOBSA-N -1 0 248.282 2.155 20 0 BEADRM C[C@@H](CC1CCCC1)C(=O)O[C@@H](C)C(=O)[O-] ZINC000736564070 585005900 /nfs/dbraw/zinc/00/59/00/585005900.db2.gz XBPXNWKEFMXRAZ-IUCAKERBSA-N -1 0 228.288 2.219 20 0 BEADRM C[C@@H](CC1CCCC1)C(=O)OCCNC(=O)[O-] ZINC000736562239 585005918 /nfs/dbraw/zinc/00/59/18/585005918.db2.gz MDVHAEWPJDDEJR-VIFPVBQESA-N -1 0 243.303 2.014 20 0 BEADRM C[C@H](CC(=O)[O-])Sc1ccnc(C2CC2)n1 ZINC000736557303 585006135 /nfs/dbraw/zinc/00/61/35/585006135.db2.gz RNXNBTBICPJWSL-SSDOTTSWSA-N -1 0 238.312 2.309 20 0 BEADRM C[C@@H](CSCC(=O)C(C)(C)C)C(=O)[O-] ZINC000736616406 585007138 /nfs/dbraw/zinc/00/71/38/585007138.db2.gz KLALFJHWECUXID-ZETCQYMHSA-N -1 0 218.318 2.056 20 0 BEADRM C[C@H](CSc1ccnc(C2CC2)n1)C(=O)[O-] ZINC000736618420 585007632 /nfs/dbraw/zinc/00/76/32/585007632.db2.gz PTRHMTUPHPSRLP-SSDOTTSWSA-N -1 0 238.312 2.167 20 0 BEADRM 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ZINC000740501666 602976215 /nfs/dbraw/zinc/97/62/15/602976215.db2.gz BYRLKSCACIUUKB-LLVKDONJSA-N -1 0 246.310 2.049 20 0 BEADRM CN1CCCN(C(=O)[O-])c2ccc(F)cc21 ZINC000739725934 602980588 /nfs/dbraw/zinc/98/05/88/602980588.db2.gz HQSZBFHGVOSXNN-UHFFFAOYSA-N -1 0 224.235 2.150 20 0 BEADRM Cc1noc(-c2ccc(NC(=O)[O-])cc2)n1 ZINC000738384208 603006833 /nfs/dbraw/zinc/00/68/33/603006833.db2.gz AYENNFOKKAHCBM-UHFFFAOYSA-N -1 0 219.200 2.135 20 0 BEADRM Cc1cccc(N(C)CCNC(=O)[O-])c1C ZINC000740167991 603084657 /nfs/dbraw/zinc/08/46/57/603084657.db2.gz FEDSWBMTJSMUNU-UHFFFAOYSA-N -1 0 222.288 2.007 20 0 BEADRM CC(C)(CC(=O)O[C@@H]1C=CCCC1)NC(=O)[O-] ZINC000738738919 603131739 /nfs/dbraw/zinc/13/17/39/603131739.db2.gz PRDPBPYORPPHAI-SECBINFHSA-N -1 0 241.287 2.075 20 0 BEADRM O=C([O-])Nc1cccc(C(=O)OCCCF)c1 ZINC000740037597 603146567 /nfs/dbraw/zinc/14/65/67/603146567.db2.gz WNLBOBPLVSWHCO-UHFFFAOYSA-N -1 0 241.218 2.293 20 0 BEADRM Cc1nnc(COc2ccc(NC(=O)[O-])cc2)o1 ZINC000738386663 603147213 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ZINC000226499542 605334262 /nfs/dbraw/zinc/33/42/62/605334262.db2.gz HDXXOJGSWWAHSO-KWBADKCTSA-N -1 0 241.331 2.182 20 0 BEADRM C/C(=C\Cn1ccc2sccc2c1=O)C(=O)[O-] ZINC000382667821 605584247 /nfs/dbraw/zinc/58/42/47/605584247.db2.gz WHLOJMHOYLYMHZ-KRXBUXKQSA-N -1 0 249.291 2.094 20 0 BEADRM O=C([O-])Nc1ccccc1C(=O)NC1CCCC1 ZINC000740045235 605672619 /nfs/dbraw/zinc/67/26/19/605672619.db2.gz FZZHAMQXJZYQPU-UHFFFAOYSA-N -1 0 248.282 2.449 20 0 BEADRM C[C@H]1C[C@H](C(=O)NCCC(=O)[O-])CC(C)(C)C1 ZINC000190597559 605680238 /nfs/dbraw/zinc/68/02/38/605680238.db2.gz RSTXNPFXDOZRRF-UWVGGRQHSA-N -1 0 241.331 2.040 20 0 BEADRM CC(C)CC[C@H](C)NC(=O)CCCC(=O)[O-] ZINC000035135189 605758711 /nfs/dbraw/zinc/75/87/11/605758711.db2.gz NZEZQTSOCKZFCT-JTQLQIEISA-N -1 0 229.320 2.182 20 0 BEADRM C[C@H]1CN(C(=O)CCCC(=O)[O-])c2ccccc21 ZINC000083902387 605759569 /nfs/dbraw/zinc/75/95/69/605759569.db2.gz MPYFLSUHSWFXNI-JTQLQIEISA-N -1 0 247.294 2.392 20 0 BEADRM C[C@H](c1ccco1)N(C)C(=O)CCCC(=O)[O-] ZINC000706380906 605776159 /nfs/dbraw/zinc/77/61/59/605776159.db2.gz IVLYYTLPZCCKFZ-SECBINFHSA-N -1 0 239.271 2.054 20 0 BEADRM Cc1ccncc1N[C@@H]1CCCN(C(=O)[O-])CC1 ZINC000833911102 606050696 /nfs/dbraw/zinc/05/06/96/606050696.db2.gz PDZUVBSECDXVTH-LLVKDONJSA-N -1 0 249.314 2.334 20 0 BEADRM CCCCC[C@H](NC(=O)[C@@H]1C[C@H]1CC)C(=O)[O-] ZINC000909345876 634437539 /nfs/dbraw/zinc/43/75/39/634437539.db2.gz GHXBUXGQHKVSTM-MXWKQRLJSA-N -1 0 241.331 2.182 20 0 BEADRM CCC[C@H]1CCC[C@H]1C(=O)N[C@H](CC)C(=O)[O-] ZINC000663023865 634561474 /nfs/dbraw/zinc/56/14/74/634561474.db2.gz GGIDMTFRZWHCIG-HBNTYKKESA-N -1 0 241.331 2.182 20 0 BEADRM CC(C)N(CC(=O)[O-])C(=O)[C@@H]1CCCC1(C)C ZINC000226500437 635435111 /nfs/dbraw/zinc/43/51/11/635435111.db2.gz MLVGZTNHJYSMMC-JTQLQIEISA-N -1 0 241.331 2.134 20 0 BEADRM CCCCCCNC(=O)C[C@@H](C)CC(=O)[O-] ZINC000061834871 635456545 /nfs/dbraw/zinc/45/65/45/635456545.db2.gz FFCTYEYCDVMUEH-SNVBAGLBSA-N -1 0 229.320 2.184 20 0 BEADRM CCO[N-]C(=O)[C@@]1(C)CCCc2ccccc21 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ZINC000309112373 631888091 /nfs/dbraw/zinc/88/80/91/631888091.db2.gz BZCDIDLYYCZAIK-DUXPYHPUSA-N -1 0 215.208 2.439 20 0 BEADRM CC(C)C[C@H](C)Nc1cc(C(=O)[O-])ncn1 ZINC000309170386 631924075 /nfs/dbraw/zinc/92/40/75/631924075.db2.gz ADUJHGLJRDCQTD-QMMMGPOBSA-N -1 0 223.276 2.021 20 0 BEADRM CC(C)(CCNc1cncc(Cl)n1)C(=O)[O-] ZINC000309166002 631926216 /nfs/dbraw/zinc/92/62/16/631926216.db2.gz WIDKDQBRIHZGDX-UHFFFAOYSA-N -1 0 243.694 2.043 20 0 BEADRM CS[C@@H]1CC[C@@H](Nc2nc(C(=O)[O-])co2)C1 ZINC000235112153 631960338 /nfs/dbraw/zinc/96/03/38/631960338.db2.gz ATPJUBDSTIBQDB-RNFRBKRXSA-N -1 0 242.300 2.069 20 0 BEADRM COC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000075073219 632029801 /nfs/dbraw/zinc/02/98/01/632029801.db2.gz CQEOHEYHDUKAHZ-QMMMGPOBSA-N -1 0 237.255 2.128 20 0 BEADRM CC(C)C[C@H](C)OC(=O)N[C@@H](C)CC(=O)[O-] ZINC000926454032 632073731 /nfs/dbraw/zinc/07/37/31/632073731.db2.gz SRSQEWSCZPAIEH-IUCAKERBSA-N -1 0 231.292 2.010 20 0 BEADRM CC[C@@H](NC(=O)O[C@@H](C)CC(C)C)C(=O)[O-] ZINC000926453839 632074522 /nfs/dbraw/zinc/07/45/22/632074522.db2.gz QQBDXIRNZOXHNI-DTWKUNHWSA-N -1 0 231.292 2.010 20 0 BEADRM CC(C)OC(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000926459240 632081617 /nfs/dbraw/zinc/08/16/17/632081617.db2.gz PBPOYTPVPLBGRU-QMMMGPOBSA-N -1 0 243.284 2.008 20 0 BEADRM CCC(C)(C)[C@H](NC(=O)OC1CCC1)C(=O)[O-] ZINC000926486322 632125536 /nfs/dbraw/zinc/12/55/36/632125536.db2.gz MZHIWHVYKPWNNL-SECBINFHSA-N -1 0 243.303 2.155 20 0 BEADRM C[C@H](NC(=O)CCCC(=O)[O-])C1CCCCC1 ZINC000052336484 632130129 /nfs/dbraw/zinc/13/01/29/632130129.db2.gz XTCXHGVERYKRGA-JTQLQIEISA-N -1 0 241.331 2.326 20 0 BEADRM C[C@@H]1C[C@H]1CNc1cccc(C(=O)[O-])c1 ZINC000227679947 632432946 /nfs/dbraw/zinc/43/29/46/632432946.db2.gz QWTWSQNHUPAZCS-SCZZXKLOSA-N -1 0 205.257 2.453 20 0 BEADRM CC(C)C1CN(C(=O)c2cccc(F)c2[O-])C1 ZINC000935064988 632433249 /nfs/dbraw/zinc/43/32/49/632433249.db2.gz VOBOSYJSASEZPY-UHFFFAOYSA-N -1 0 237.274 2.259 20 0 BEADRM C[C@@]1(C(=O)[N-]OC2CCCC2)C=CCC1 ZINC000935240626 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242.278 2.416 20 0 BEADRM O=C([O-])c1cccc(OCc2nccs2)c1 ZINC000019779349 957119486 /nfs/dbraw/zinc/11/94/86/957119486.db2.gz VYHGKVCIXOOKLE-UHFFFAOYSA-N -1 0 235.264 2.420 20 0 BEADRM O=C([O-])c1ccc(SCCn2ccnc2)cc1 ZINC000020253603 957133195 /nfs/dbraw/zinc/13/31/95/957133195.db2.gz HEGRXXPPMNFMIR-UHFFFAOYSA-N -1 0 248.307 2.374 20 0 BEADRM CC(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC000034079495 957189312 /nfs/dbraw/zinc/18/93/12/957189312.db2.gz DRSCVZGWWUUBJK-UHFFFAOYSA-N -1 0 229.235 2.496 20 0 BEADRM CCOCCOc1ccc(Cl)cc1C(=O)[O-] ZINC000035097945 957197124 /nfs/dbraw/zinc/19/71/24/957197124.db2.gz SQXNLNQFGZKJNI-UHFFFAOYSA-N -1 0 244.674 2.454 20 0 BEADRM Cc1cc(C)n(Cc2cc(C(=O)[O-])c(C)o2)n1 ZINC000035432010 957211222 /nfs/dbraw/zinc/21/12/22/957211222.db2.gz YMOGKVDAAFZFRM-UHFFFAOYSA-N -1 0 234.255 2.148 20 0 BEADRM CC(C)c1nccn1Cc1occc1C(=O)[O-] ZINC000035432793 957212447 /nfs/dbraw/zinc/21/24/47/957212447.db2.gz UTMKYAOEJDEWHA-UHFFFAOYSA-N -1 0 234.255 2.346 20 0 BEADRM CCC(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000037395645 957274015 /nfs/dbraw/zinc/27/40/15/957274015.db2.gz XNDRQHWXDRNJQO-UHFFFAOYSA-N -1 0 233.267 2.074 20 0 BEADRM CC[C@H](Sc1nccn1C(C)C)C(=O)[O-] ZINC000389903004 972254947 /nfs/dbraw/zinc/25/49/47/972254947.db2.gz FHSTXRNGBOJXEC-QMMMGPOBSA-N -1 0 228.317 2.419 20 0 BEADRM C[C@H](Nc1ccc(C(=O)[O-])nn1)c1cccs1 ZINC000037527278 957307512 /nfs/dbraw/zinc/30/75/12/957307512.db2.gz JZKKVSVUCSYVDE-ZETCQYMHSA-N -1 0 249.295 2.409 20 0 BEADRM CC[C@@H](C)c1nnc(CCCCC(=O)[O-])o1 ZINC000037729562 957320821 /nfs/dbraw/zinc/32/08/21/957320821.db2.gz CQZUQNHMLKSBKO-MRVPVSSYSA-N -1 0 226.276 2.381 20 0 BEADRM CC[C@@H](C)n1nc(C)c(CC(=O)[O-])c1C ZINC000040930698 957381713 /nfs/dbraw/zinc/38/17/13/957381713.db2.gz LFMJALDCUOYRNG-SSDOTTSWSA-N -1 0 210.277 2.098 20 0 BEADRM Cc1nc(S[C@H](C(=O)[O-])c2ccccc2)n[nH]1 ZINC000041064801 957384473 /nfs/dbraw/zinc/38/44/73/957384473.db2.gz APASVEMCDDRHJY-VIFPVBQESA-N -1 0 249.295 2.031 20 0 BEADRM CCCCOCCS[C@@H](C)C(=O)[O-] ZINC000042340881 957410178 /nfs/dbraw/zinc/41/01/78/957410178.db2.gz ZNMUMAAFBDLJAE-QMMMGPOBSA-N -1 0 206.307 2.009 20 0 BEADRM C[C@@H](O)COc1c(C(=O)[O-])ccc2ccccc21 ZINC000042392911 957412674 /nfs/dbraw/zinc/41/26/74/957412674.db2.gz AZUWTERFAATQCT-SECBINFHSA-N -1 0 246.262 2.298 20 0 BEADRM CCN(C(=O)CCC(=O)[O-])c1cccc(F)c1 ZINC000044928173 957450761 /nfs/dbraw/zinc/45/07/61/957450761.db2.gz HKYNRWKPVLIJEF-UHFFFAOYSA-N -1 0 239.246 2.043 20 0 BEADRM C[C@@H]1CCC[C@H](Nc2nccnc2C(=O)[O-])C1 ZINC000054527723 957539945 /nfs/dbraw/zinc/53/99/45/957539945.db2.gz LHAIOUBWSCTPQC-BDAKNGLRSA-N -1 0 235.287 2.165 20 0 BEADRM O=C([O-])CNc1ccccc1OC(F)(F)F ZINC000057332687 957550821 /nfs/dbraw/zinc/55/08/21/957550821.db2.gz CVACYQINPIOHSV-UHFFFAOYSA-N -1 0 235.161 2.082 20 0 BEADRM CCN(Cc1csc(C)n1)C(C)(C)C(=O)[O-] ZINC000061176991 957577981 /nfs/dbraw/zinc/57/79/81/957577981.db2.gz GLNDWLQNDXJFIJ-UHFFFAOYSA-N -1 0 242.344 2.137 20 0 BEADRM O=C([O-])c1coc(CSC2CCOCC2)c1 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CCCOCC(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457296016 203034673 /nfs/dbraw/zinc/03/46/73/203034673.db2.gz PHQMNFLQCFRILE-UHFFFAOYSA-N -1 0 245.225 2.036 20 0 BEADRM CCC[C@H](C(=O)[O-])[S@](=O)CCCC(C)C ZINC000567231403 326147019 /nfs/dbraw/zinc/14/70/19/326147019.db2.gz SWEHIBXGBQJRAC-MEBBXXQBSA-N -1 0 234.361 2.425 20 0 BEADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)CC1CCCC1 ZINC000110835863 368819054 /nfs/dbraw/zinc/81/90/54/368819054.db2.gz SPIFDTTWQGJVDP-SNVBAGLBSA-N -1 0 241.331 2.136 20 0 BEADRM CC[C@H]1CCCN(C(=O)CC(C)(C)C(=O)[O-])C1 ZINC000087724781 368896851 /nfs/dbraw/zinc/89/68/51/368896851.db2.gz QGHOCGVTCDXEHT-JTQLQIEISA-N -1 0 241.331 2.136 20 0 BEADRM CC[C@@H](C)C[C@@H](C)NC(=O)CC(C)(C)C(=O)[O-] ZINC000088297403 368909569 /nfs/dbraw/zinc/90/95/69/368909569.db2.gz YHOTYOJMRPKYQK-NXEZZACHSA-N -1 0 243.347 2.428 20 0 BEADRM CC(C)C[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000116112322 369021801 /nfs/dbraw/zinc/02/18/01/369021801.db2.gz GVRXBVOPWVPILL-UHFFFAOYSA-N -1 0 233.311 2.399 20 0 BEADRM CC[C@H](C)C[C@@H](NC(=O)CCC1CC1)C(=O)[O-] ZINC000400938890 369356126 /nfs/dbraw/zinc/35/61/26/369356126.db2.gz MTLALRJYELGRQS-GXSJLCMTSA-N -1 0 241.331 2.182 20 0 BEADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)C(C)(C)C ZINC000310170543 370316434 /nfs/dbraw/zinc/31/64/34/370316434.db2.gz TUCBOUZYMPKYNL-SECBINFHSA-N -1 0 241.331 2.182 20 0 BEADRM CC(C)N(C(=O)C[C@H](C)CC(=O)[O-])C1CCC1 ZINC000568246055 326333886 /nfs/dbraw/zinc/33/38/86/326333886.db2.gz DQEJDHPLELCGAL-JTQLQIEISA-N -1 0 241.331 2.277 20 0 BEADRM CCCC[C@@H](C(=O)N[C@H](C)C(=O)[O-])C(C)C ZINC000621535676 370382098 /nfs/dbraw/zinc/38/20/98/370382098.db2.gz JKJPRZKHICBLMP-NXEZZACHSA-N -1 0 229.320 2.038 20 0 BEADRM CC1CC(CNC(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000621618328 370404328 /nfs/dbraw/zinc/40/43/28/370404328.db2.gz SHPBJLYVVPKAGT-UHFFFAOYSA-N -1 0 247.294 2.161 20 0 BEADRM CC(C)Cc1nc(=NCC(F)(F)F)s[n-]1 ZINC000623892385 371142622 /nfs/dbraw/zinc/14/26/22/371142622.db2.gz MJQHRZRQPOSPSU-UHFFFAOYSA-N -1 0 239.266 2.133 20 0 BEADRM C[C@H]1C[C@@H]1C(=O)Nc1sccc1C(=O)[O-] ZINC000021968332 371509008 /nfs/dbraw/zinc/50/90/08/371509008.db2.gz IZFZNKJAAGATSE-FSPLSTOPSA-N -1 0 225.269 2.041 20 0 BEADRM CCCc1nc(=NCC(F)(F)CC)s[n-]1 ZINC000624560354 371541337 /nfs/dbraw/zinc/54/13/37/371541337.db2.gz AHEWAIIUGZCZSC-UHFFFAOYSA-N -1 0 235.303 2.370 20 0 BEADRM Cc1cccc(NCC(=O)[O-])c1Br ZINC000131705200 371656687 /nfs/dbraw/zinc/65/66/87/371656687.db2.gz STWXLJDGPRMKOS-UHFFFAOYSA-N -1 0 244.088 2.254 20 0 BEADRM CCN(CCC(=O)[O-])C(=O)C=C1CCCCC1 ZINC000268953585 169817386 /nfs/dbraw/zinc/81/73/86/169817386.db2.gz SMLHUUPIFCMWCL-UHFFFAOYSA-N -1 0 239.315 2.200 20 0 BEADRM CC1(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)CCC1 ZINC000633138312 373304297 /nfs/dbraw/zinc/30/42/97/373304297.db2.gz JORXLSJVPQQVKM-UHFFFAOYSA-N -1 0 249.266 2.219 20 0 BEADRM O=C([O-])c1ccc(NC(=O)NC2CCCC2)cc1 ZINC000032500477 182352517 /nfs/dbraw/zinc/35/25/17/182352517.db2.gz HKUJMNSUTKQNIS-UHFFFAOYSA-N -1 0 248.282 2.449 20 0 BEADRM O=C([O-])[C@H](Nc1ccc(F)cc1)C1CC1 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ZINC000035410435 169010332 /nfs/dbraw/zinc/01/03/32/169010332.db2.gz SGDLIXDUMYMOSM-ZJUUUORDSA-N -1 0 229.320 2.182 20 0 BEADRM CCCC[C@H](NC(=O)c1cccc(C)c1)C(=O)[O-] ZINC000035095380 169010799 /nfs/dbraw/zinc/01/07/99/169010799.db2.gz XVBRKUPISXLYGF-LBPRGKRZSA-N -1 0 249.310 2.368 20 0 BEADRM CCCC[C@H](CCC)NC(=O)NCCC(=O)[O-] ZINC000225856847 169001744 /nfs/dbraw/zinc/00/17/44/169001744.db2.gz HEDTYUXSVFKDRC-JTQLQIEISA-N -1 0 244.335 2.119 20 0 BEADRM CCCN(CC(=O)[O-])C(=O)C[C@H]1CC[C@H](C)C1 ZINC000184883038 169097811 /nfs/dbraw/zinc/09/78/11/169097811.db2.gz LLXRMJCDSXTBRW-QWRGUYRKSA-N -1 0 241.331 2.136 20 0 BEADRM CCCN(CC(=O)[O-])Cc1cnc(Cl)s1 ZINC000184927523 169098578 /nfs/dbraw/zinc/09/85/78/169098578.db2.gz XVHVMQBNBHYVTE-UHFFFAOYSA-N -1 0 248.735 2.093 20 0 BEADRM O=c1[n-]c(CSCC2CCCCC2)n[nH]1 ZINC000329317794 183307251 /nfs/dbraw/zinc/30/72/51/183307251.db2.gz QUYAPXRUNWFFBG-UHFFFAOYSA-N -1 0 227.333 2.324 20 0 BEADRM CCCS(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC000182723611 169334271 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135184094 /nfs/dbraw/zinc/18/40/94/135184094.db2.gz DACBRRJHMNKCLN-SNVBAGLBSA-N -1 0 241.331 2.182 20 0 BEADRM CCc1cc(NC(=O)[C@H](C)C(=O)[O-])ccc1C ZINC000261553827 135193827 /nfs/dbraw/zinc/19/38/27/135193827.db2.gz OGGBPUDOSYNQGC-VIFPVBQESA-N -1 0 235.283 2.217 20 0 BEADRM CCCCC(=O)NC(CC)(CC)CC(=O)[O-] ZINC000261563336 135205384 /nfs/dbraw/zinc/20/53/84/135205384.db2.gz BULGRYCQGWQGFJ-UHFFFAOYSA-N -1 0 229.320 2.326 20 0 BEADRM O=C([O-])c1cnc(N[C@H]2CC3CCC2CC3)cn1 ZINC000261572881 135214775 /nfs/dbraw/zinc/21/47/75/135214775.db2.gz LYGZDVJUURXPBI-RTBKNWGFSA-N -1 0 247.298 2.165 20 0 BEADRM CCC[C@](C)(NC(=O)C[C@H](C)CC)C(=O)[O-] ZINC000164211399 135216215 /nfs/dbraw/zinc/21/62/15/135216215.db2.gz RBMXQIWNDIXBKL-SKDRFNHKSA-N -1 0 229.320 2.182 20 0 BEADRM CC[C@@H](C)[C@H](NC(=O)C[C@@H](C)CC)C(=O)[O-] ZINC000164215541 135216243 /nfs/dbraw/zinc/21/62/43/135216243.db2.gz IMUIILCGKLIHEF-NGZCFLSTSA-N -1 0 229.320 2.038 20 0 BEADRM CCCC[C@@H](NC(=O)C[C@H](C)CC)C(=O)[O-] ZINC000164210803 135216339 /nfs/dbraw/zinc/21/63/39/135216339.db2.gz XZSYVRGCTZAZBI-NXEZZACHSA-N -1 0 229.320 2.182 20 0 BEADRM CCC[C@@H](CNC(=O)C[C@H](C)CC)C(=O)[O-] ZINC000164229708 135217397 /nfs/dbraw/zinc/21/73/97/135217397.db2.gz BILLRKSLABFTKS-ZJUUUORDSA-N -1 0 229.320 2.040 20 0 BEADRM CC1(C)CC[C@@H]1Nc1cccc(C(=O)[O-])n1 ZINC000261583080 135224041 /nfs/dbraw/zinc/22/40/41/135224041.db2.gz OVTRPYIXLIHDTD-VIFPVBQESA-N -1 0 220.272 2.380 20 0 BEADRM CCC[C@@H](C)CC(=O)N[C@](C)(CC)C(=O)[O-] ZINC000261584361 135224844 /nfs/dbraw/zinc/22/48/44/135224844.db2.gz PSKXMUWUZWOOSK-BXKDBHETSA-N -1 0 229.320 2.182 20 0 BEADRM CCC[C@H](NC(=O)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000261586720 135227863 /nfs/dbraw/zinc/22/78/63/135227863.db2.gz RJSMHNOSPCJPDW-BDAKNGLRSA-N -1 0 229.320 2.038 20 0 BEADRM CCCC[C@H](C)C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000261589685 135230207 /nfs/dbraw/zinc/23/02/07/135230207.db2.gz UCMAKAWISKQQML-UWVGGRQHSA-N -1 0 229.320 2.182 20 0 BEADRM O=C([O-])[C@H]1CCCN(c2ccncc2Cl)C1 ZINC000261590056 135231147 /nfs/dbraw/zinc/23/11/47/135231147.db2.gz UIPRCXUPSCGGNA-QMMMGPOBSA-N -1 0 240.690 2.036 20 0 BEADRM CCCC[C@@H](C)C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000261592603 135232686 /nfs/dbraw/zinc/23/26/86/135232686.db2.gz VYERAXOAYSTDRE-VHSXEESVSA-N -1 0 229.320 2.040 20 0 BEADRM CCCC[C@H](C)C(=O)NC[C@H](C)CC(=O)[O-] ZINC000261592605 135232896 /nfs/dbraw/zinc/23/28/96/135232896.db2.gz VYERAXOAYSTDRE-ZJUUUORDSA-N -1 0 229.320 2.040 20 0 BEADRM CCCC[C@@H](C)C(=O)NC[C@H](CCC)C(=O)[O-] ZINC000261545992 135238229 /nfs/dbraw/zinc/23/82/29/135238229.db2.gz GPMNNBGDBLVUJF-MNOVXSKESA-N -1 0 243.347 2.430 20 0 BEADRM CCC[C@](C)(NC(=O)C1=C(C)CCC1)C(=O)[O-] ZINC000262068181 135277051 /nfs/dbraw/zinc/27/70/51/135277051.db2.gz COIJKEYKTHZHGT-ZDUSSCGKSA-N -1 0 239.315 2.246 20 0 BEADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])C1CC1)C(C)C ZINC000262083826 135277509 /nfs/dbraw/zinc/27/75/09/135277509.db2.gz BNGQVAUFPTUFNI-BXKDBHETSA-N -1 0 241.331 2.038 20 0 BEADRM CC(C)C[C@@H](C)CC(=O)N[C@H](C(=O)[O-])C1CC1 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CCc1ccc(-n2[n-]c([C@@H](C)OC)cc2=O)cc1 ZINC000899349019 584202374 /nfs/dbraw/zinc/20/23/74/584202374.db2.gz SIIPYHOAQFLQQI-SNVBAGLBSA-N -1 0 246.310 2.377 20 0 BEADRM CO[C@@H](C)c1cc(=O)n(C2CCCCCC2)[n-]1 ZINC000899351004 584204086 /nfs/dbraw/zinc/20/40/86/584204086.db2.gz WWCGBXZWWSHRFC-JTQLQIEISA-N -1 0 238.331 2.332 20 0 BEADRM CO[C@@H](C)c1cc(=O)n([C@@H](C)C(C)(C)C)[n-]1 ZINC000899357025 584206089 /nfs/dbraw/zinc/20/60/89/584206089.db2.gz ZPCVUCQZADQCRT-IUCAKERBSA-N -1 0 226.320 2.044 20 0 BEADRM Cc1[n-]n(-c2cc(F)ccc2F)c(=O)c1C ZINC000899361717 584206622 /nfs/dbraw/zinc/20/66/22/584206622.db2.gz BQCPATJFQRSZMB-LURJTMIESA-N -1 0 224.210 2.323 20 0 BEADRM CCC[C@H](C)NC(=O)[C@@H]1C[C@]1(C(=O)[O-])C(C)C ZINC000899800760 584237848 /nfs/dbraw/zinc/23/78/48/584237848.db2.gz GSYLSIFGUNCSJV-KWBADKCTSA-N -1 0 241.331 2.038 20 0 BEADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N(C)CC(C)C ZINC000899805157 584238187 /nfs/dbraw/zinc/23/81/87/584238187.db2.gz AJCMPRAZFNYRLA-NSHDSACASA-N -1 0 243.347 2.238 20 0 BEADRM CCCCNC(=O)[C@@H](CC(=O)[O-])CC(C)C ZINC000899795195 584238243 /nfs/dbraw/zinc/23/82/43/584238243.db2.gz UXYJLCSFDFMDSM-SNVBAGLBSA-N -1 0 229.320 2.040 20 0 BEADRM CCCN(CC)C(=O)[C@H](CC(=O)[O-])CC(C)C ZINC000899812056 584238942 /nfs/dbraw/zinc/23/89/42/584238942.db2.gz MIBLKXFIVSDEKL-NSHDSACASA-N -1 0 243.347 2.382 20 0 BEADRM CCN(C(=O)[C@@H](CC(=O)[O-])CC(C)C)C(C)C ZINC000899812756 584239243 /nfs/dbraw/zinc/23/92/43/584239243.db2.gz QWSBJOBOSYYFST-LLVKDONJSA-N -1 0 243.347 2.380 20 0 BEADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)NCC1(C)CC1 ZINC000899813209 584239393 /nfs/dbraw/zinc/23/93/93/584239393.db2.gz SXACDRDXROWHSB-JTQLQIEISA-N -1 0 241.331 2.040 20 0 BEADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N(C)C(C)(C)C ZINC000899819970 584241600 /nfs/dbraw/zinc/24/16/00/584241600.db2.gz BMVJSFVAHLPZBY-SNVBAGLBSA-N -1 0 243.347 2.380 20 0 BEADRM C/C(=C(\F)C(=O)[N-]O[C@@H]1CCCCO1)C1CC1 ZINC000900468593 584314599 /nfs/dbraw/zinc/31/45/99/584314599.db2.gz XEKWZEDMCFFPML-MXBGMFSPSA-N -1 0 243.278 2.214 20 0 BEADRM O=C([O-])[C@@H]1CCC[C@@H]1Nc1cccc(Cl)n1 ZINC000900978526 584370939 /nfs/dbraw/zinc/37/09/39/584370939.db2.gz KLQCZINFGVVPGX-SFYZADRCSA-N -1 0 240.690 2.400 20 0 BEADRM Cc1nc(N[C@@H]2C=CCC2)sc1C(=O)[O-] ZINC000900963427 584371897 /nfs/dbraw/zinc/37/18/97/584371897.db2.gz WNELKTWGDKOFQK-SSDOTTSWSA-N -1 0 224.285 2.280 20 0 BEADRM CC(C)(C)n1cc(-c2c[nH]c(C(=O)[O-])c2)cn1 ZINC000901069612 584378041 /nfs/dbraw/zinc/37/80/41/584378041.db2.gz FKSONRMPMGLRNZ-UHFFFAOYSA-N -1 0 233.271 2.331 20 0 BEADRM CCCN(CC(=O)[O-])C(=O)CC(C)=C(C)C ZINC000901492786 584453097 /nfs/dbraw/zinc/45/30/97/584453097.db2.gz YKNMINRNBRGSCK-UHFFFAOYSA-N -1 0 227.304 2.056 20 0 BEADRM CC(C)=C(C)CC(=O)N(CC(=O)[O-])C(C)C ZINC000901560428 584462839 /nfs/dbraw/zinc/46/28/39/584462839.db2.gz DEVCCRRNNUHSKG-UHFFFAOYSA-N -1 0 227.304 2.054 20 0 BEADRM C[C@@H]1C[C@H](Nc2ccc(CCC(=O)[O-])cc2)CO1 ZINC000901638238 584473384 /nfs/dbraw/zinc/47/33/84/584473384.db2.gz BZTSPBNPMFYQSD-MFKMUULPSA-N -1 0 249.310 2.293 20 0 BEADRM COc1cc(C(=O)[O-])ccc1NCC1CC1 ZINC000901643377 584473994 /nfs/dbraw/zinc/47/39/94/584473994.db2.gz YGRIUSHDTPMNSE-UHFFFAOYSA-N -1 0 221.256 2.215 20 0 BEADRM CC[C@@H](C)C[C@@H]([NH2+]Cc1ccns1)C(=O)[O-] ZINC000901675651 584476041 /nfs/dbraw/zinc/47/60/41/584476041.db2.gz NKGZONJKGSRANO-PSASIEDQSA-N -1 0 242.344 2.122 20 0 BEADRM CC[C@@H]1C[C@@H](Nc2cccc(CC(=O)[O-])c2)CO1 ZINC000901661956 584476481 /nfs/dbraw/zinc/47/64/81/584476481.db2.gz LFCHDHYAYTYNBA-CHWSQXEVSA-N -1 0 249.310 2.293 20 0 BEADRM CO[C@H](CNc1cccc(CC(=O)[O-])c1)C1CC1 ZINC000901660798 584476694 /nfs/dbraw/zinc/47/66/94/584476694.db2.gz DWIZAOKPMQCHDC-CYBMUJFWSA-N -1 0 249.310 2.151 20 0 BEADRM O=C([O-])Cc1cccc(NC[C@@H]2CCC=CO2)c1 ZINC000901663171 584477119 /nfs/dbraw/zinc/47/71/19/584477119.db2.gz SMKNZKCMWUCSRJ-ZDUSSCGKSA-N -1 0 247.294 2.418 20 0 BEADRM O=C([O-])Cc1cccc(NC[C@H]2CCC=CO2)c1 ZINC000901663169 584477121 /nfs/dbraw/zinc/47/71/21/584477121.db2.gz SMKNZKCMWUCSRJ-CYBMUJFWSA-N -1 0 247.294 2.418 20 0 BEADRM CC1(C)C[C@@H](Nc2cccc(CC(=O)[O-])c2)CO1 ZINC000901663849 584477209 /nfs/dbraw/zinc/47/72/09/584477209.db2.gz WOMYHZQAVPQPIN-GFCCVEGCSA-N -1 0 249.310 2.293 20 0 BEADRM CC/C=C(\F)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000901690653 584481680 /nfs/dbraw/zinc/48/16/80/584481680.db2.gz RSBTZUHMSLRVTJ-JRZFIGEHSA-N -1 0 245.294 2.113 20 0 BEADRM CC/C=C(/F)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000901690655 584482259 /nfs/dbraw/zinc/48/22/59/584482259.db2.gz RSBTZUHMSLRVTJ-RAJVOEEQSA-N -1 0 245.294 2.113 20 0 BEADRM CCC[C@@H](CC)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000901710230 584486889 /nfs/dbraw/zinc/48/68/89/584486889.db2.gz IPSUTVRYCBCWSU-OUAUKWLOSA-N -1 0 241.331 2.182 20 0 BEADRM COCc1cc(NC(C)C)cc(C(=O)[O-])c1 ZINC000901739465 584489427 /nfs/dbraw/zinc/48/94/27/584489427.db2.gz RDYMZTVYSKVDBT-UHFFFAOYSA-N -1 0 223.272 2.352 20 0 BEADRM CCc1ccc(CN[C@@H](CC(F)F)C(=O)[O-])o1 ZINC000901810713 584498581 /nfs/dbraw/zinc/49/85/81/584498581.db2.gz BHWBMZNZSQBYIN-VIFPVBQESA-N -1 0 247.241 2.040 20 0 BEADRM [O-]c1c(F)cccc1-c1nc(C2CC2)no1 ZINC000901916369 584503786 /nfs/dbraw/zinc/50/37/86/584503786.db2.gz JSPOGWCSYASBCB-UHFFFAOYSA-N -1 0 220.203 2.459 20 0 BEADRM Cc1scc(C[N@@H+](C)[C@@H](C)C(=O)[O-])c1C ZINC000901981040 584512109 /nfs/dbraw/zinc/51/21/09/584512109.db2.gz VLDZPBVXGSNWTH-QMMMGPOBSA-N -1 0 227.329 2.270 20 0 BEADRM C[C@H](Nc1ccccc1)[C@H]1C[C@H]1C(=O)[O-] ZINC000902047886 584516825 /nfs/dbraw/zinc/51/68/25/584516825.db2.gz LCYXVBKIHXBRNH-JMJZKYOTSA-N -1 0 205.257 2.208 20 0 BEADRM CCC(C)(C)[C@@H](C)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000902050220 584517169 /nfs/dbraw/zinc/51/71/69/584517169.db2.gz YBTPEISPAOMLFQ-OPRDCNLKSA-N -1 0 241.331 2.038 20 0 BEADRM CCc1oc(CNCc2ccoc2)cc1C(=O)[O-] ZINC000902122439 584528622 /nfs/dbraw/zinc/52/86/22/584528622.db2.gz DCSGHQCQJIHVAC-UHFFFAOYSA-N -1 0 249.266 2.423 20 0 BEADRM CCc1oc(CN(C)CC(F)F)cc1C(=O)[O-] ZINC000902177960 584532295 /nfs/dbraw/zinc/53/22/95/584532295.db2.gz CGEKSAAXYCZXNB-UHFFFAOYSA-N -1 0 247.241 2.237 20 0 BEADRM CCCCCCC(=O)Nc1c[nH]nc1C(=O)[O-] ZINC000902226121 584540999 /nfs/dbraw/zinc/54/09/99/584540999.db2.gz KIJKVVNOGXQIPG-UHFFFAOYSA-N -1 0 239.275 2.017 20 0 BEADRM Cc1sccc1NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000902338290 584565574 /nfs/dbraw/zinc/56/55/74/584565574.db2.gz PKMZLIJRRTYLDT-SECBINFHSA-N -1 0 239.296 2.106 20 0 BEADRM Cc1cc(NC(=O)[C@@H](C(=O)[O-])C2CC2)cs1 ZINC000902382244 584576737 /nfs/dbraw/zinc/57/67/37/584576737.db2.gz RWEUZYYXEGOLAJ-VIFPVBQESA-N -1 0 239.296 2.106 20 0 BEADRM O=C([O-])[C@@H]1C[C@H]1CN1CC2(CC2)c2ccccc21 ZINC000903895135 584819890 /nfs/dbraw/zinc/81/98/90/584819890.db2.gz BOCFJISGVPZGLM-WDEREUQCSA-N -1 0 243.306 2.259 20 0 BEADRM CC[C@@H](C)[N@@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903920164 584823400 /nfs/dbraw/zinc/82/34/00/584823400.db2.gz DDZATFUBOQOILI-SNVBAGLBSA-N -1 0 249.310 2.378 20 0 BEADRM CN(CCCF)c1cccc(CC(=O)[O-])c1 ZINC000903951771 584831238 /nfs/dbraw/zinc/83/12/38/584831238.db2.gz GNMPPVCRSIUJAH-UHFFFAOYSA-N -1 0 225.263 2.110 20 0 BEADRM CC(C)N(C)c1cccc(N[C@@H](C)C(=O)[O-])c1 ZINC000904199560 584851322 /nfs/dbraw/zinc/85/13/22/584851322.db2.gz LSYRBMJEGHWQJH-JTQLQIEISA-N -1 0 236.315 2.416 20 0 BEADRM C[C@H](N[C@H](CC(C)(C)C)C(F)(F)F)C(=O)[O-] ZINC000904229507 584854184 /nfs/dbraw/zinc/85/41/84/584854184.db2.gz IUOFTVPLGSYRNX-NKWVEPMBSA-N -1 0 241.253 2.416 20 0 BEADRM CC[C@H](C)n1ncc(N[C@H](C)C(=O)[O-])c1C ZINC000904234127 584857513 /nfs/dbraw/zinc/85/75/13/584857513.db2.gz DMHAXQJOZOTIJX-JGVFFNPUSA-N -1 0 225.292 2.048 20 0 BEADRM Cc1c(N[C@@H](C)C(=O)[O-])cnn1C1CCCC1 ZINC000904235992 584857586 /nfs/dbraw/zinc/85/75/86/584857586.db2.gz LNRFINXPLJQBPN-QMMMGPOBSA-N -1 0 237.303 2.192 20 0 BEADRM C[C@H](Nc1cccc(C2CCOCC2)c1)C(=O)[O-] ZINC000904253766 584858500 /nfs/dbraw/zinc/85/85/00/584858500.db2.gz RWHCKZBFGXDIEB-JTQLQIEISA-N -1 0 249.310 2.466 20 0 BEADRM C/C(=C\COC(=O)[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000825752697 584892369 /nfs/dbraw/zinc/89/23/69/584892369.db2.gz OJUZIRLLVOWKGE-JMQBSKDBSA-N -1 0 240.299 2.387 20 0 BEADRM C/C(=C\COC(=O)Cc1ccccc1C)C(=O)[O-] ZINC000825769373 584893283 /nfs/dbraw/zinc/89/32/83/584893283.db2.gz OTTUSDGXCDDPLW-YRNVUSSQSA-N -1 0 248.278 2.112 20 0 BEADRM CCC[C@H](C)C(=O)O[C@@H]1CCCN(C(=O)[O-])C1 ZINC000826728556 584895063 /nfs/dbraw/zinc/89/50/63/584895063.db2.gz NVIGILIBNJAVOT-VHSXEESVSA-N -1 0 243.303 2.108 20 0 BEADRM CCC[C@@H](C)OC(=O)C(C)(C)CNC(=O)[O-] ZINC000826733608 584895315 /nfs/dbraw/zinc/89/53/15/584895315.db2.gz CGLHRMGORYQIHN-MRVPVSSYSA-N -1 0 231.292 2.012 20 0 BEADRM CC(C)C[C@H]1CCCN1C(=O)[C@@H](C)CC(=O)[O-] ZINC000826832559 584895856 /nfs/dbraw/zinc/89/58/56/584895856.db2.gz UBDIROMUTNGBFR-WDEREUQCSA-N -1 0 241.331 2.134 20 0 BEADRM CC(C)[C@H](OC(=O)[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000828233175 584902784 /nfs/dbraw/zinc/90/27/84/584902784.db2.gz LLMSEKOBINAVRC-VWYCJHECSA-N -1 0 242.315 2.465 20 0 BEADRM C/C=C(/C=C\C(=O)N[C@@](C)(CC)C(=O)[O-])CC ZINC000828543193 584904009 /nfs/dbraw/zinc/90/40/09/584904009.db2.gz RWJLQHFDWFKFJK-DGMAZKFZSA-N -1 0 239.315 2.268 20 0 BEADRM CCC[C@H](C)OC(=O)c1ccc(C(=O)[O-])nc1 ZINC000829216999 584906387 /nfs/dbraw/zinc/90/63/87/584906387.db2.gz WBKREFUMEHKCRC-QMMMGPOBSA-N -1 0 237.255 2.125 20 0 BEADRM CC[C@@H](C)CO[N-]C(=O)[C@H](C)OCC(C)C ZINC000816978695 584981935 /nfs/dbraw/zinc/98/19/35/584981935.db2.gz ZSQHWWHVHVIHKY-MNOVXSKESA-N -1 0 231.336 2.141 20 0 BEADRM CC[C@H](C)CO[N-]C(=O)[C@@H](C)OCC(C)C ZINC000816978697 584982088 /nfs/dbraw/zinc/98/20/88/584982088.db2.gz ZSQHWWHVHVIHKY-WDEREUQCSA-N -1 0 231.336 2.141 20 0 BEADRM C[C@@H](SCc1nnn[n-]1)c1cccs1 ZINC000736189948 584991158 /nfs/dbraw/zinc/99/11/58/584991158.db2.gz DGPNVEMXPIPDSN-ZCFIWIBFSA-N -1 0 226.330 2.256 20 0 BEADRM CC(C)[C@H](C)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000736353033 584998756 /nfs/dbraw/zinc/99/87/56/584998756.db2.gz GSVPBZHCCVNEMV-QMMMGPOBSA-N -1 0 240.255 2.313 20 0 BEADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OC1CCCCC1 ZINC000736380087 585000105 /nfs/dbraw/zinc/00/01/05/585000105.db2.gz FCMVAIVUUHUFON-SNVBAGLBSA-N -1 0 243.303 2.155 20 0 BEADRM CC(C)[C@H](OC(=O)CCC(C)(C)C)C(=O)[O-] ZINC000736389311 585000212 /nfs/dbraw/zinc/00/02/12/585000212.db2.gz ICERRVJPKIIUKC-JTQLQIEISA-N -1 0 230.304 2.465 20 0 BEADRM CC(C)C[C@@H](OC(=O)C[C@@H](C)C1CC1)C(=O)[O-] ZINC000736428910 585001854 /nfs/dbraw/zinc/00/18/54/585001854.db2.gz WXQDASLKGANKJM-MWLCHTKSSA-N -1 0 242.315 2.465 20 0 BEADRM CC(C)C[C@@H](OC(=O)CCC1CC1)C(=O)[O-] ZINC000736428085 585001896 /nfs/dbraw/zinc/00/18/96/585001896.db2.gz UAKXIWOMWMTIRS-SNVBAGLBSA-N -1 0 228.288 2.219 20 0 BEADRM CC(C)C[C@H](OC(=O)C[C@@H](C)C1CC1)C(=O)[O-] ZINC000736428909 585001911 /nfs/dbraw/zinc/00/19/11/585001911.db2.gz WXQDASLKGANKJM-KOLCDFICSA-N -1 0 242.315 2.465 20 0 BEADRM CC(C)N(CCC(=O)[O-])C(=O)C=C1CCCC1 ZINC000736460943 585003046 /nfs/dbraw/zinc/00/30/46/585003046.db2.gz CZVMPCWVJXOMFI-UHFFFAOYSA-N -1 0 239.315 2.199 20 0 BEADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)C1CC1 ZINC000736542426 585005364 /nfs/dbraw/zinc/00/53/64/585005364.db2.gz ZJFVUIFJVZYLOQ-KCJUWKMLSA-N -1 0 241.331 2.038 20 0 BEADRM C[C@@H](CSCCC(=O)C(C)(C)C)C(=O)[O-] ZINC000736613296 585006998 /nfs/dbraw/zinc/00/69/98/585006998.db2.gz KVWBPUILCMMGMC-QMMMGPOBSA-N -1 0 232.345 2.446 20 0 BEADRM CC(C)c1nccc(SC[C@@H](C)C(=O)[O-])n1 ZINC000736617430 585007273 /nfs/dbraw/zinc/00/72/73/585007273.db2.gz GATGGTJHOOVZDY-MRVPVSSYSA-N -1 0 240.328 2.413 20 0 BEADRM C[C@H](Nc1ccccc1OCC1CC1)C(=O)[O-] ZINC000736672452 585009437 /nfs/dbraw/zinc/00/94/37/585009437.db2.gz POAJSOSKHPTUST-VIFPVBQESA-N -1 0 235.283 2.360 20 0 BEADRM C[C@@H](OC(=O)CC/C=C/c1ccccc1)C(=O)[O-] ZINC000736681121 585009567 /nfs/dbraw/zinc/00/95/67/585009567.db2.gz AHAVNRMGSQSBCR-FZPLPXEFSA-N -1 0 248.278 2.496 20 0 BEADRM C[C@H]1C[C@H](CC(=O)OCC(=O)[O-])CC(C)(C)C1 ZINC000736754670 585011757 /nfs/dbraw/zinc/01/17/57/585011757.db2.gz DIRNSPKLMKKLRN-VHSXEESVSA-N -1 0 242.315 2.467 20 0 BEADRM C[C@@H]1C[C@H]1COC(=O)c1ccc(C(=O)[O-])s1 ZINC000736766333 585011781 /nfs/dbraw/zinc/01/17/81/585011781.db2.gz RHHJEAHJYQZCQS-RQJHMYQMSA-N -1 0 240.280 2.259 20 0 BEADRM C[C@H]1C[C@@H]1CNC(=O)c1ccccc1NC(=O)[O-] ZINC000736767004 585011815 /nfs/dbraw/zinc/01/18/15/585011815.db2.gz YDWMZZGGNNVGOB-DTWKUNHWSA-N -1 0 248.282 2.162 20 0 BEADRM C[C@H](OC(=O)C=C1CCC(C)CC1)C(=O)[O-] ZINC000736764156 585011876 /nfs/dbraw/zinc/01/18/76/585011876.db2.gz SWEIXOFRPUJHFW-GKAPJAKFSA-N -1 0 226.272 2.139 20 0 BEADRM C[C@H]1CCCC[C@H]1CC(=O)OCCNC(=O)[O-] ZINC000736778980 585013642 /nfs/dbraw/zinc/01/36/42/585013642.db2.gz HLZKDRHGOMZCAM-UWVGGRQHSA-N -1 0 243.303 2.014 20 0 BEADRM CC/C(=C\C(=O)O[C@H](C)C(=O)[O-])c1ccccc1 ZINC000736834402 585016810 /nfs/dbraw/zinc/01/68/10/585016810.db2.gz IISZIDYXABNRLW-OYVNLZQHSA-N -1 0 248.278 2.496 20 0 BEADRM CC/C(=C/C(=O)O[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000736834407 585016835 /nfs/dbraw/zinc/01/68/35/585016835.db2.gz IISZIDYXABNRLW-RGAIUGGKSA-N -1 0 248.278 2.496 20 0 BEADRM C/C=C\C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736840886 585017040 /nfs/dbraw/zinc/01/70/40/585017040.db2.gz TYDPFYCTVTXQLL-ARJAWSKDSA-N -1 0 248.282 2.311 20 0 BEADRM C/C=C\C(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC000736839861 585017388 /nfs/dbraw/zinc/01/73/88/585017388.db2.gz GTTCQPPSIYPLTL-LEPFTWFBSA-N -1 0 247.294 2.069 20 0 BEADRM CCC(C)(C)C(=O)OCc1ccoc1C(=O)[O-] ZINC000736860283 585018283 /nfs/dbraw/zinc/01/82/83/585018283.db2.gz WYABURZAXWJKKB-UHFFFAOYSA-N -1 0 240.255 2.457 20 0 BEADRM CC[C@@](C)(NC(=O)[O-])c1nc(C)cs1 ZINC000736862046 585018453 /nfs/dbraw/zinc/01/84/53/585018453.db2.gz WETZHMWACOEHIP-SECBINFHSA-N -1 0 214.290 2.344 20 0 BEADRM CC[C@H](CC(=O)OCC(=O)[O-])c1ccccc1 ZINC000736892416 585018981 /nfs/dbraw/zinc/01/89/81/585018981.db2.gz OHQHTNCNBWDCRY-SNVBAGLBSA-N -1 0 236.267 2.198 20 0 BEADRM CC[C@H](CC1CCCC1)C(=O)OCC(=O)[O-] ZINC000736903944 585019187 /nfs/dbraw/zinc/01/91/87/585019187.db2.gz DAVZIBLZJBAGGT-SNVBAGLBSA-N -1 0 228.288 2.221 20 0 BEADRM CC[C@H](Nc1cccc2c1ccn2C)C(=O)[O-] ZINC000736923822 585019462 /nfs/dbraw/zinc/01/94/62/585019462.db2.gz KBCSUPSECTVARM-JTQLQIEISA-N -1 0 232.283 2.453 20 0 BEADRM CC[C@H](OC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccccc1 ZINC000736928465 585019466 /nfs/dbraw/zinc/01/94/66/585019466.db2.gz SZRLEHDAHVOLOK-WOPDTQHZSA-N -1 0 248.278 2.402 20 0 BEADRM CCCOC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737029177 585022904 /nfs/dbraw/zinc/02/29/04/585022904.db2.gz APDGPEHPWZBOQN-UHFFFAOYSA-N -1 0 236.267 2.271 20 0 BEADRM CCOC(=O)Nc1ccc(OC(=O)[O-])cc1 ZINC000737145417 585026351 /nfs/dbraw/zinc/02/63/51/585026351.db2.gz DQXBZTNERCDRKB-UHFFFAOYSA-N -1 0 225.200 2.312 20 0 BEADRM CC[C@H](C)[C@H](NC(=O)C[C@@H](C)C1CC1)C(=O)[O-] ZINC000737234555 585027647 /nfs/dbraw/zinc/02/76/47/585027647.db2.gz DTNKCMPKZGILHP-SBMIAAHKSA-N -1 0 241.331 2.038 20 0 BEADRM CCc1nnc([C@H](C)SC[C@@H](C)C(=O)[O-])o1 ZINC000737285027 585029757 /nfs/dbraw/zinc/02/97/57/585029757.db2.gz OCCSCYBAJLVWBR-RQJHMYQMSA-N -1 0 244.316 2.147 20 0 BEADRM CN(C(=O)CC1CC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737317773 585030218 /nfs/dbraw/zinc/03/02/18/585030218.db2.gz MBDLEGVDDXULCF-CYBMUJFWSA-N -1 0 247.294 2.071 20 0 BEADRM CN(CC1CC1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737411072 585031584 /nfs/dbraw/zinc/03/15/84/585031584.db2.gz YEOJSYRCIVEEFC-UHFFFAOYSA-N -1 0 248.282 2.259 20 0 BEADRM CN(CCCC(=O)O[C@@H]1C=CCCC1)C(=O)[O-] ZINC000737433229 585032177 /nfs/dbraw/zinc/03/21/77/585032177.db2.gz RPGVNAFWQZGCQW-SNVBAGLBSA-N -1 0 241.287 2.028 20 0 BEADRM CC(C)(C)/C=C/C(=O)OCCCCC(=O)[O-] ZINC000737572468 585036523 /nfs/dbraw/zinc/03/65/23/585036523.db2.gz TYGOQGHTFSKZSI-BQYQJAHWSA-N -1 0 228.288 2.387 20 0 BEADRM Cc1ccccc1[C@@H](C)CC(=O)OCC(=O)[O-] ZINC000738323461 585042572 /nfs/dbraw/zinc/04/25/72/585042572.db2.gz HJHGRFKPNIBZSX-JTQLQIEISA-N -1 0 236.267 2.116 20 0 BEADRM Cc1ccccc1C(=O)OCCCCC(=O)[O-] ZINC000738323535 585042773 /nfs/dbraw/zinc/04/27/73/585042773.db2.gz JCXOSWQEOHRCJU-UHFFFAOYSA-N -1 0 236.267 2.407 20 0 BEADRM O=C([O-])c1ccc(C=Cc2nccc(=O)[nH]2)cc1 ZINC000740122478 585094572 /nfs/dbraw/zinc/09/45/72/585094572.db2.gz HCZCMTGRYBZUBN-UTCJRWHESA-N -1 0 242.234 2.051 20 0 BEADRM C[C@]([N-]C(=O)C(F)(F)F)(C1CC1)C(F)(F)F ZINC000839454576 585104552 /nfs/dbraw/zinc/10/45/52/585104552.db2.gz KWBLXHNZJKNDCD-LURJTMIESA-N -1 0 249.154 2.396 20 0 BEADRM CCO[N-]C(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1 ZINC000742511544 585127479 /nfs/dbraw/zinc/12/74/79/585127479.db2.gz QYQXGLVPCQJOFN-SRVKXCTJSA-N -1 0 243.347 2.428 20 0 BEADRM CC(C)COC(=O)c1cc(F)c([O-])c(F)c1 ZINC000748474288 585193141 /nfs/dbraw/zinc/19/31/41/585193141.db2.gz CBCDNPIQWQVXST-UHFFFAOYSA-N -1 0 230.210 2.483 20 0 BEADRM CO[N-]C(=O)C1(c2ccc(C)c(OC)c2)CCC1 ZINC000749567070 585204014 /nfs/dbraw/zinc/20/40/14/585204014.db2.gz HFEOMVNXMHAGGA-UHFFFAOYSA-N -1 0 249.310 2.103 20 0 BEADRM O=C(NOCc1ccc(F)cc1)C1=CCCC1 ZINC000754711438 585289686 /nfs/dbraw/zinc/28/96/86/585289686.db2.gz CHUNJKQIURKNSJ-UHFFFAOYSA-N -1 0 235.258 2.484 20 0 BEADRM O=C(NOCC(F)F)Nc1ccccc1F ZINC000758825021 585360312 /nfs/dbraw/zinc/36/03/12/585360312.db2.gz BILCDAGILMIEAA-UHFFFAOYSA-N -1 0 234.177 2.144 20 0 BEADRM C[C@@H](C(=O)[N-]OCC(F)F)c1cccs1 ZINC000759350273 585371002 /nfs/dbraw/zinc/37/10/02/585371002.db2.gz ZZLUMGVGQUYSAZ-ZCFIWIBFSA-N -1 0 235.255 2.165 20 0 BEADRM CSCCOC(=O)c1cc(F)c([O-])c(F)c1 ZINC000759538525 585375047 /nfs/dbraw/zinc/37/50/47/585375047.db2.gz IZDTWQMDZUUQHU-UHFFFAOYSA-N -1 0 248.250 2.190 20 0 BEADRM CC[C@H](C)[C@H](C)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000761645100 585417918 /nfs/dbraw/zinc/41/79/18/585417918.db2.gz WTZHIJCNUBAYFH-QXEWZRGKSA-N -1 0 241.331 2.038 20 0 BEADRM CC(C)=CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000762223984 585429365 /nfs/dbraw/zinc/42/93/65/585429365.db2.gz ZCDLEDAIQWQKCO-ZWNOBZJWSA-N -1 0 239.315 2.102 20 0 BEADRM C/C(=C/C(=O)N1CCC[C@@H]1C(=O)[O-])C(C)(C)C ZINC000769513300 585558276 /nfs/dbraw/zinc/55/82/76/585558276.db2.gz WKPQCHXQYNNUKL-HSTULFTRSA-N -1 0 239.315 2.054 20 0 BEADRM CCc1nsc([N-]c2cnn(C)c2C2CC2)n1 ZINC000770127980 585571023 /nfs/dbraw/zinc/57/10/23/585571023.db2.gz WAIACNPQDHCOKQ-UHFFFAOYSA-N -1 0 249.343 2.455 20 0 BEADRM O=c1[n-]c(S[C@H]2CCc3ccccc3C2)n[nH]1 ZINC000772229464 585610616 /nfs/dbraw/zinc/61/06/16/585610616.db2.gz GRVGLVBXMVBOBK-JTQLQIEISA-N -1 0 247.323 2.160 20 0 BEADRM CCCC1(C(=O)NCCCCC(=O)[O-])CCC1 ZINC000773227395 585634139 /nfs/dbraw/zinc/63/41/39/585634139.db2.gz XZWYWYRTKPFYQX-UHFFFAOYSA-N -1 0 241.331 2.328 20 0 BEADRM CCCCO[C@H](C)C(=O)[N-]Oc1ccccc1 ZINC000773471828 585637405 /nfs/dbraw/zinc/63/74/05/585637405.db2.gz SWCQORFAHRWTNF-LLVKDONJSA-N -1 0 237.299 2.302 20 0 BEADRM O=C([N-]OC1CCCC1)C1(C(F)(F)F)CC1 ZINC000775274832 585674473 /nfs/dbraw/zinc/67/44/73/585674473.db2.gz AUFKTWKJHIMBND-UHFFFAOYSA-N -1 0 237.221 2.319 20 0 BEADRM C[C@@H]1C[C@H]1NC(=O)c1cccc(Cl)c1[O-] ZINC000775703346 585683445 /nfs/dbraw/zinc/68/34/45/585683445.db2.gz OSLZASZYBHHSIU-HZGVNTEJSA-N -1 0 225.675 2.184 20 0 BEADRM O=C(NCC(F)F)c1cccc(Cl)c1[O-] ZINC000775764408 585684010 /nfs/dbraw/zinc/68/40/10/585684010.db2.gz SJCMKDCQKCVCLL-UHFFFAOYSA-N -1 0 235.617 2.041 20 0 BEADRM C/C=C(/C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000776630208 585702606 /nfs/dbraw/zinc/70/26/06/585702606.db2.gz DEAQYPUCZHXIEL-CLTKARDFSA-N -1 0 237.230 2.429 20 0 BEADRM CCCCC[C@H](NC(=O)C1CC(C)C1)C(=O)[O-] ZINC000776664318 585702793 /nfs/dbraw/zinc/70/27/93/585702793.db2.gz JQEDJGAOBRHGNB-ILDUYXDCSA-N -1 0 241.331 2.182 20 0 BEADRM O=C([O-])CCC(=O)NCC1CCCCCCC1 ZINC000776685125 585703005 /nfs/dbraw/zinc/70/30/05/585703005.db2.gz FIASOLUUFOXTBG-UHFFFAOYSA-N -1 0 241.331 2.328 20 0 BEADRM CC[C@@H]1CC[C@@H](C(=O)[N-]OC2CCCCC2)O1 ZINC000777960266 585724178 /nfs/dbraw/zinc/72/41/78/585724178.db2.gz BJYQJNPEJNECGY-PWSUYJOCSA-N -1 0 241.331 2.325 20 0 BEADRM CS[C@@H](C)C(=O)[N-]OC1CCCCC1 ZINC000777962956 585724532 /nfs/dbraw/zinc/72/45/32/585724532.db2.gz ZLLVIEGVHCPIOF-QMMMGPOBSA-N -1 0 217.334 2.118 20 0 BEADRM O=C([N-]OC1CCCCC1)[C@@H]1CCC=CO1 ZINC000779317184 585750674 /nfs/dbraw/zinc/75/06/74/585750674.db2.gz PNVLERJDUMEGTR-NSHDSACASA-N -1 0 225.288 2.060 20 0 BEADRM O=C([N-]OC1CCCCC1)C1SCCS1 ZINC000779319640 585751063 /nfs/dbraw/zinc/75/10/63/585751063.db2.gz CONXLUROIOYNPQ-UHFFFAOYSA-N -1 0 247.385 2.173 20 0 BEADRM CC(C)[C@@H](F)C(=O)[N-]OCc1ccccc1 ZINC000784144116 585851450 /nfs/dbraw/zinc/85/14/50/585851450.db2.gz FUMBWKOUOQBJSW-LLVKDONJSA-N -1 0 225.263 2.229 20 0 BEADRM CC(C)[C@H](F)C(=O)[N-]OC1CCCCC1 ZINC000784162512 585852095 /nfs/dbraw/zinc/85/20/95/585852095.db2.gz MBBJKSQJOBQVNM-JTQLQIEISA-N -1 0 217.284 2.361 20 0 BEADRM CC[C@@H](C)[C@H]([N-]C(=O)C(F)F)C(F)(F)F ZINC000787582752 585912412 /nfs/dbraw/zinc/91/24/12/585912412.db2.gz VJAPKLGJKVUQAF-UHNVWZDZSA-N -1 0 233.180 2.345 20 0 BEADRM Oc1cccnc1CNCc1cccnc1Cl ZINC000793255312 586015038 /nfs/dbraw/zinc/01/50/38/586015038.db2.gz GPCGFYIMSRJZPS-UHFFFAOYSA-N -1 0 249.701 2.125 20 0 BEADRM CSCCO[N-]C(=O)[C@@H](F)c1ccccc1 ZINC000794191447 586034716 /nfs/dbraw/zinc/03/47/16/586034716.db2.gz TUGOPDQGNSVCDQ-JTQLQIEISA-N -1 0 243.303 2.108 20 0 BEADRM CC[C@@H](C)CO[N-]C(=O)[C@H](F)C(C)C ZINC000794855358 586051560 /nfs/dbraw/zinc/05/15/60/586051560.db2.gz ZXMQSNNBFIBMEK-RKDXNWHRSA-N -1 0 205.273 2.074 20 0 BEADRM CC[C@@H](C)CO[N-]C(=O)[C@@H](F)C(C)C ZINC000794855353 586051708 /nfs/dbraw/zinc/05/17/08/586051708.db2.gz ZXMQSNNBFIBMEK-BDAKNGLRSA-N -1 0 205.273 2.074 20 0 BEADRM CC[C@@H](C)CCC(=O)[N-]S(=O)(=O)[C@H](C)CC ZINC000797288052 586125031 /nfs/dbraw/zinc/12/50/31/586125031.db2.gz SHTBZGBTRLRFTN-NXEZZACHSA-N -1 0 249.376 2.057 20 0 BEADRM O=C([N-]O[C@@H]1CCCCO1)C1(F)CCCCC1 ZINC000810281562 586537872 /nfs/dbraw/zinc/53/78/72/586537872.db2.gz PDLUVBAPASJBNP-SNVBAGLBSA-N -1 0 245.294 2.233 20 0 BEADRM O=C([N-]OC/C=C\Cl)[C@H]1Cc2ccccc21 ZINC000812403372 586575849 /nfs/dbraw/zinc/57/58/49/586575849.db2.gz NEGZNZKGEIWSAJ-UUSYTGMJSA-N -1 0 237.686 2.127 20 0 BEADRM O=C([N-]OC/C=C/Cl)C1(F)CCCCC1 ZINC000812403106 586576070 /nfs/dbraw/zinc/57/60/70/586576070.db2.gz JHOXGOKGQXHZAG-QPJJXVBHSA-N -1 0 235.686 2.459 20 0 BEADRM O=C([N-]OC/C=C/Cl)[C@H]1CCCCS1 ZINC000812408354 586576497 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BEADRM O=C([O-])c1ccnc(NC(=O)C[C@H]2C=CCC2)c1 ZINC000079703519 359723531 /nfs/dbraw/zinc/72/35/31/359723531.db2.gz KBUALBOASWYSTB-VIFPVBQESA-N -1 0 246.266 2.075 20 0 BEADRM CC1(c2nc(=NC(=O)C3=CCCC3)s[n-]2)CC1 ZINC000628540079 360543602 /nfs/dbraw/zinc/54/36/02/360543602.db2.gz RSWMYXRWZMRPOR-UHFFFAOYSA-N -1 0 249.339 2.060 20 0 BEADRM CC1(C)CC(CSc2n[n-]c(=N)s2)C1 ZINC000629089012 360872157 /nfs/dbraw/zinc/87/21/57/360872157.db2.gz LULCOYNSCFZVOS-UHFFFAOYSA-N -1 0 229.374 2.479 20 0 BEADRM C[C@@H]1C[C@@H]1CSc1n[n-]c(=NC2CC2)s1 ZINC000629105891 360879560 /nfs/dbraw/zinc/87/95/60/360879560.db2.gz UZZBQSJRIJKMJQ-RNFRBKRXSA-N -1 0 241.385 2.282 20 0 BEADRM C[C@H]1C[C@H]1CSc1n[n-]c(=NC2CC2)s1 ZINC000629105889 360879712 /nfs/dbraw/zinc/87/97/12/360879712.db2.gz UZZBQSJRIJKMJQ-BQBZGAKWSA-N -1 0 241.385 2.282 20 0 BEADRM CCc1cc(=O)[nH]c(SC[C@@H]2C[C@H]2C)n1 ZINC000629176145 360924059 /nfs/dbraw/zinc/92/40/59/360924059.db2.gz SUMUDCRWOULMMH-SFYZADRCSA-N -1 0 224.329 2.493 20 0 BEADRM CCc1cc(=O)[nH]c(SC[C@H]2C[C@@H]2C)n1 ZINC000629176143 360924239 /nfs/dbraw/zinc/92/42/39/360924239.db2.gz SUMUDCRWOULMMH-JGVFFNPUSA-N -1 0 224.329 2.493 20 0 BEADRM C[C@@H]1CCCC[C@@H]1C(=O)N(C)CCCC(=O)[O-] ZINC000424224942 200893813 /nfs/dbraw/zinc/89/38/13/200893813.db2.gz LEFRABGDRNRSIL-MNOVXSKESA-N -1 0 241.331 2.136 20 0 BEADRM O=C(c1ccc(F)cc1[O-])N1CCC[C@@H](F)C1 ZINC000578996441 366689481 /nfs/dbraw/zinc/68/94/81/366689481.db2.gz MUZYLRYJAMQVCT-SECBINFHSA-N -1 0 241.237 2.105 20 0 BEADRM C[C@@H](CC(=O)[O-])N(C)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000579007533 366694545 /nfs/dbraw/zinc/69/45/45/366694545.db2.gz ROJIPJIXGWTEMR-OUAUKWLOSA-N -1 0 241.331 2.134 20 0 BEADRM CC(C)c1n[n-]c(=NC[C@H]2CC=CCC2)o1 ZINC000579315555 366758052 /nfs/dbraw/zinc/75/80/52/366758052.db2.gz JLXGUOPMGZDDFR-JTQLQIEISA-N -1 0 221.304 2.383 20 0 BEADRM C[C@]1(CNc2ccnc(C(=O)[O-])c2)C[C@H]2C[C@H]2C1 ZINC000629769262 361692544 /nfs/dbraw/zinc/69/25/44/361692544.db2.gz FXWNXPBACUUIJE-MSRIBSCDSA-N -1 0 246.310 2.050 20 0 BEADRM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc(F)cc1[O-] ZINC000436821326 201338919 /nfs/dbraw/zinc/33/89/19/201338919.db2.gz OVCUIXOLGVNGLX-BZBKMWRSSA-N -1 0 235.258 2.060 20 0 BEADRM CC[C@@H](C)[C@@H](C)NC(=O)CC(C)(C)C(=O)[O-] ZINC000083686813 491162521 /nfs/dbraw/zinc/16/25/21/491162521.db2.gz JIZXSSBNZPBCKA-RKDXNWHRSA-N -1 0 229.320 2.038 20 0 BEADRM CC[C@H]1CCCC[C@@H]1C(=O)NCCCC(=O)[O-] ZINC000630099335 363901691 /nfs/dbraw/zinc/90/16/91/363901691.db2.gz LPDMHSWWTISGJC-QWRGUYRKSA-N -1 0 241.331 2.184 20 0 BEADRM CC[C@H](CC(=O)N(C)[C@@H](C)C(=O)[O-])C(C)(C)C ZINC000630128977 363951255 /nfs/dbraw/zinc/95/12/55/363951255.db2.gz BGCCUFXRESSZJD-VHSXEESVSA-N -1 0 243.347 2.380 20 0 BEADRM Cc1cc(C(=O)N[C@H]2CC=CCC2)oc1C(=O)[O-] ZINC000630118181 363926831 /nfs/dbraw/zinc/92/68/31/363926831.db2.gz HAXCDPWBIFUTPQ-VIFPVBQESA-N -1 0 249.266 2.125 20 0 BEADRM CC[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)C(=O)[O-] ZINC000630132796 363958144 /nfs/dbraw/zinc/95/81/44/363958144.db2.gz ADDUNQQSFFXJEY-VHSXEESVSA-N -1 0 243.347 2.428 20 0 BEADRM CC[C@H](NC(=O)[C@@H]1CCCC[C@H]1CC)C(=O)[O-] ZINC000630133754 363961269 /nfs/dbraw/zinc/96/12/69/363961269.db2.gz IVQJHGUOXFFWIZ-MXWKQRLJSA-N -1 0 241.331 2.182 20 0 BEADRM CC[C@@H](CC(=O)N[C@H](C)C(=O)[O-])C(C)(C)C ZINC000630135367 363966959 /nfs/dbraw/zinc/96/69/59/363966959.db2.gz MFPDRSCOGGTJKZ-BDAKNGLRSA-N -1 0 229.320 2.038 20 0 BEADRM CC[C@H](CC(=O)NC[C@@H](C)C(=O)[O-])C(C)(C)C ZINC000630136947 363968331 /nfs/dbraw/zinc/96/83/31/363968331.db2.gz JMSBJTZYJWRCKL-NXEZZACHSA-N -1 0 243.347 2.286 20 0 BEADRM O=C([O-])c1cccc(C(=O)NCC2CC=CC2)c1 ZINC000630236411 364029346 /nfs/dbraw/zinc/02/93/46/364029346.db2.gz PSDRLBVBWSVCSA-UHFFFAOYSA-N -1 0 245.278 2.081 20 0 BEADRM CCCC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC000630246484 364035077 /nfs/dbraw/zinc/03/50/77/364035077.db2.gz AOQRGPKFVFNXCZ-CYBMUJFWSA-N -1 0 241.331 2.326 20 0 BEADRM C[C@@H](C(=O)[O-])N(C)C(=O)C[C@H]1CCCC[C@@H]1C ZINC000630257263 364039349 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364060152 /nfs/dbraw/zinc/06/01/52/364060152.db2.gz FJOXDGZYZSVTJX-TTXORMCVSA-N -1 0 239.315 2.031 20 0 BEADRM CCC[C@@H](C)C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC000630324903 364060711 /nfs/dbraw/zinc/06/07/11/364060711.db2.gz KAFQHSOQBLJGSM-TTXORMCVSA-N -1 0 239.315 2.031 20 0 BEADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)C2CC2)cc1 ZINC000630327589 364063984 /nfs/dbraw/zinc/06/39/84/364063984.db2.gz NUKZMDXIWNOBNY-NWDGAFQWSA-N -1 0 245.278 2.223 20 0 BEADRM CC(C)CC(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000038036093 364217404 /nfs/dbraw/zinc/21/74/04/364217404.db2.gz UUEFXXHHOLIQNA-GFCCVEGCSA-N -1 0 241.331 2.182 20 0 BEADRM CN(C[C@H]1CC1(C)C)C(=O)c1c(O)cccc1O ZINC000622186932 370753243 /nfs/dbraw/zinc/75/32/43/370753243.db2.gz XOEBKRMYBUEEDG-SECBINFHSA-N -1 0 249.310 2.216 20 0 BEADRM Cc1cc(NC(=O)NC(C)(C)C(=O)[O-])cs1 ZINC000630551226 364245270 /nfs/dbraw/zinc/24/52/70/364245270.db2.gz QVVWLUCPHGLPIU-UHFFFAOYSA-N -1 0 242.300 2.041 20 0 BEADRM CCc1nc(CNc2nc(C)no2)cs1 ZINC000133984594 364382969 /nfs/dbraw/zinc/38/29/69/364382969.db2.gz SXLGUFICFNYTII-UHFFFAOYSA-N -1 0 224.289 2.009 20 0 BEADRM Cc1ccc(O)c(NC(=O)c2ncccc2[O-])c1 ZINC000171268863 365185468 /nfs/dbraw/zinc/18/54/68/365185468.db2.gz GUAPXWGSVGSVIM-UHFFFAOYSA-N -1 0 244.250 2.054 20 0 BEADRM Cc1sc(N2CCC[C@H]2CF)nc1C(=O)[O-] ZINC000574814188 365149839 /nfs/dbraw/zinc/14/98/39/365149839.db2.gz ZXPSSOJBZZKYQG-ZETCQYMHSA-N -1 0 244.291 2.088 20 0 BEADRM CC(C)[C@@H]1CCCN(c2nc(C(=O)[O-])co2)C1 ZINC000575185237 365233104 /nfs/dbraw/zinc/23/31/04/365233104.db2.gz ROPKIOYKRLNDLY-SECBINFHSA-N -1 0 238.287 2.245 20 0 BEADRM CCCN(C(=O)C(=O)c1ccc(O)cc1)C(C)C ZINC000575329253 365292350 /nfs/dbraw/zinc/29/23/50/365292350.db2.gz GQECJJJQVIBSEY-UHFFFAOYSA-N -1 0 249.310 2.222 20 0 BEADRM CCCN(CCC)C(=O)C1(CC(=O)[O-])CCC1 ZINC000576163581 365506256 /nfs/dbraw/zinc/50/62/56/365506256.db2.gz WONJMUFSVHIRKH-UHFFFAOYSA-N -1 0 241.331 2.280 20 0 BEADRM C[C@H]1CCC[C@H]1N=c1[n-]c(C2CCC2)no1 ZINC000579915966 367078756 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/nfs/dbraw/zinc/35/06/48/367350648.db2.gz YOFVHNGFIYHGSX-YFKPBYRVSA-N -1 0 248.254 2.370 20 0 BEADRM CSc1nn(C[C@H]2CCC[C@@H](C)C2)c(=O)[n-]1 ZINC000194582511 367306619 /nfs/dbraw/zinc/30/66/19/367306619.db2.gz CJVDJDPQWRCUIU-BDAKNGLRSA-N -1 0 241.360 2.120 20 0 BEADRM CC(C)c1n[n-]c(=NCCC2(F)CCC2)o1 ZINC000581291496 367320578 /nfs/dbraw/zinc/32/05/78/367320578.db2.gz VXZZRGPSLUCEOB-UHFFFAOYSA-N -1 0 227.283 2.309 20 0 BEADRM COCCC(C)(C)N=c1nc(C(C)C)[n-]s1 ZINC000381432754 367402826 /nfs/dbraw/zinc/40/28/26/367402826.db2.gz BXGDHMGHTGHSNJ-UHFFFAOYSA-N -1 0 243.376 2.310 20 0 BEADRM FC(F)(F)c1n[n-]c(=N[C@@H]2C[C@H]2C2CC2)s1 ZINC000381824907 367460842 /nfs/dbraw/zinc/46/08/42/367460842.db2.gz LWOBXDRXTIWESR-NTSWFWBYSA-N -1 0 249.261 2.189 20 0 BEADRM CC[C@H](Nc1nc(C(=O)[O-])co1)C1CCCC1 ZINC000382817169 367560308 /nfs/dbraw/zinc/56/03/08/367560308.db2.gz FNDBGFJPFLZSNE-VIFPVBQESA-N -1 0 238.287 2.175 20 0 BEADRM CC(C)c1nc(=NCC[C@@H](C)F)s[n-]1 ZINC000382430053 367521308 /nfs/dbraw/zinc/52/13/08/367521308.db2.gz ZOINABVNEFLLQP-SSDOTTSWSA-N -1 0 217.313 2.243 20 0 BEADRM C[C@@H](NC(=O)[C@H]1CCC[C@@H](C)C1)[C@H](C)C(=O)[O-] ZINC000383137734 367599305 /nfs/dbraw/zinc/59/93/05/367599305.db2.gz DXKYBCUUCGIBHO-YTWAJWBKSA-N -1 0 241.331 2.038 20 0 BEADRM C[C@@H](C(=O)[O-])C(=O)NC[C@@H](C)C1CCCCC1 ZINC000581619298 367639457 /nfs/dbraw/zinc/63/94/57/367639457.db2.gz KPVWUOZYZRFHJA-NXEZZACHSA-N -1 0 241.331 2.040 20 0 BEADRM O=C([O-])CCCCCN(CC(F)F)C1CC1 ZINC000385827398 367868149 /nfs/dbraw/zinc/86/81/49/367868149.db2.gz ZGUWXFRGUUUDEZ-UHFFFAOYSA-N -1 0 235.274 2.361 20 0 BEADRM CCCN(Cc1cc(C(=O)[O-])co1)CC(F)F ZINC000385892424 367876925 /nfs/dbraw/zinc/87/69/25/367876925.db2.gz VJWWCLZPEMTZHT-UHFFFAOYSA-N -1 0 247.241 2.455 20 0 BEADRM CN=c1[n-]nc(SC2CC(C)(C)C2)s1 ZINC000631012854 370891272 /nfs/dbraw/zinc/89/12/72/370891272.db2.gz TVBLFPAXACLCNL-UHFFFAOYSA-N -1 0 229.374 2.282 20 0 BEADRM C[C@@H]1CCCN1C(=O)c1s[n-]c(=O)c1Cl ZINC000622402793 370896846 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ZINC000829118169 587483580 /nfs/dbraw/zinc/48/35/80/587483580.db2.gz DUAUMXWVPDWRQR-GMTAPVOTSA-N -1 0 241.331 2.182 20 0 BEADRM CC[C@H]1CCCN(C(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000829125645 587484022 /nfs/dbraw/zinc/48/40/22/587484022.db2.gz PAFFBWHAHOSKRF-QWRGUYRKSA-N -1 0 241.331 2.136 20 0 BEADRM CCCC(=O)OCc1ccc(C(=O)[O-])s1 ZINC000829184291 587486930 /nfs/dbraw/zinc/48/69/30/587486930.db2.gz IBEBCVJULXPDPT-UHFFFAOYSA-N -1 0 228.269 2.290 20 0 BEADRM CCC[C@H](C)C(=O)O[C@H](CC(C)C)C(=O)[O-] ZINC000829209315 587488373 /nfs/dbraw/zinc/48/83/73/587488373.db2.gz UJWSURGKRDGFSY-VHSXEESVSA-N -1 0 230.304 2.465 20 0 BEADRM CCC/C(C)=C\C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000829207852 587488651 /nfs/dbraw/zinc/48/86/51/587488651.db2.gz GERSSXRTWIDPKU-HIJJYWJESA-N -1 0 239.315 2.199 20 0 BEADRM CCC[C@H](C)OC(=O)c1cccc(C(=O)[O-])n1 ZINC000829216633 587489058 /nfs/dbraw/zinc/48/90/58/587489058.db2.gz QBALGEXNXGJGHA-QMMMGPOBSA-N -1 0 237.255 2.125 20 0 BEADRM CCCC[C@@H](C)OC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000829284768 587491185 /nfs/dbraw/zinc/49/11/85/587491185.db2.gz FMNANPBYLRCUPN-ZJUUUORDSA-N -1 0 245.319 2.401 20 0 BEADRM CCCC[C@H](S[C@@H](C)C(C)=O)C(=O)[O-] ZINC000829296524 587491749 /nfs/dbraw/zinc/49/17/49/587491749.db2.gz URXMXHAKEVVKTB-IUCAKERBSA-N -1 0 218.318 2.341 20 0 BEADRM CCCCC[C@H](NC(=O)C=C1CCC1)C(=O)[O-] ZINC000829311508 587492168 /nfs/dbraw/zinc/49/21/68/587492168.db2.gz HPMAECUTULDUIK-NSHDSACASA-N -1 0 239.315 2.246 20 0 BEADRM CCCCC[C@H](Nc1cc(C)ncn1)C(=O)[O-] ZINC000829346660 587493381 /nfs/dbraw/zinc/49/33/81/587493381.db2.gz CBQKTHPDRFDHGT-JTQLQIEISA-N -1 0 237.303 2.230 20 0 BEADRM CCCCNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829401387 587495857 /nfs/dbraw/zinc/49/58/57/587495857.db2.gz GSRUINUUNASDHJ-UHFFFAOYSA-N -1 0 242.300 2.368 20 0 BEADRM CCCCO[C@@H]1C[C@@H](NC(=O)[O-])C1(C)C ZINC000829413825 587496819 /nfs/dbraw/zinc/49/68/19/587496819.db2.gz YEOYVEFMKGMDBB-RKDXNWHRSA-N -1 0 215.293 2.238 20 0 BEADRM CCCN(CC(=O)[O-])C(=O)/C=C1\CC[C@@H](C)C1 ZINC000829468604 587499300 /nfs/dbraw/zinc/49/93/00/587499300.db2.gz DHHXOIQRVOSREM-MXBGMFSPSA-N -1 0 239.315 2.056 20 0 BEADRM CCCN(CC(=O)[O-])Cc1cnc(CC)s1 ZINC000829475780 587500007 /nfs/dbraw/zinc/50/00/07/587500007.db2.gz AOXWADMYQOKEMV-UHFFFAOYSA-N -1 0 242.344 2.002 20 0 BEADRM COc1ccccc1C[C@H](C)N(C)C(=O)[O-] ZINC000829619483 587506396 /nfs/dbraw/zinc/50/63/96/587506396.db2.gz RDOJBYPNRABEIC-VIFPVBQESA-N -1 0 223.272 2.236 20 0 BEADRM CCN(CCC(=O)[O-])C(=O)[C@@H](C)C1CCCC1 ZINC000829697404 587509928 /nfs/dbraw/zinc/50/99/28/587509928.db2.gz MHFHMFFAJKTZRC-JTQLQIEISA-N -1 0 241.331 2.136 20 0 BEADRM CCN(CCC(=O)[O-])c1nc2cc(C)ccc2o1 ZINC000829705545 587510794 /nfs/dbraw/zinc/51/07/94/587510794.db2.gz ZYSRUUOWNBKJOK-UHFFFAOYSA-N -1 0 248.282 2.437 20 0 BEADRM CCOC(=O)C[C@@H](C)SC/C=C(/C)C(=O)[O-] ZINC000829843020 587522793 /nfs/dbraw/zinc/52/27/93/587522793.db2.gz HHKJKFJLFXMEQK-BZJXQOFCSA-N -1 0 246.328 2.092 20 0 BEADRM CCO[C@H]1C[C@H](NC(=O)[O-])C1(CC)CC ZINC000829924538 587528049 /nfs/dbraw/zinc/52/80/49/587528049.db2.gz IAEKIEHWWSWYBW-IUCAKERBSA-N -1 0 215.293 2.238 20 0 BEADRM Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)ccc1NC(=O)[O-] ZINC000829941096 587528927 /nfs/dbraw/zinc/52/89/27/587528927.db2.gz QUTHQOSCQQNUGC-GZMMTYOYSA-N -1 0 248.282 2.223 20 0 BEADRM Cc1cc(F)cc(N[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000830061168 587534551 /nfs/dbraw/zinc/53/45/51/587534551.db2.gz FEMYYXUYXRGYHA-SNVBAGLBSA-N -1 0 238.262 2.298 20 0 BEADRM CCc1oc(C(=O)[O-])cc1CSCCOC ZINC000830395297 587548058 /nfs/dbraw/zinc/54/80/58/587548058.db2.gz XYIKMHQFZUOTJN-UHFFFAOYSA-N -1 0 244.312 2.420 20 0 BEADRM Cc1ccc(N[C@@H]2CCN(C(=O)[O-])C2)cc1F ZINC000830395652 587548788 /nfs/dbraw/zinc/54/87/88/587548788.db2.gz JEAIXSOBOCZNJN-SNVBAGLBSA-N -1 0 238.262 2.298 20 0 BEADRM Cc1ccc(NC[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000830395935 587548873 /nfs/dbraw/zinc/54/88/73/587548873.db2.gz OXDDOSBTVIFOAK-LLVKDONJSA-N -1 0 249.314 2.192 20 0 BEADRM Cc1ccc(NC2CCN(C(=O)[O-])CC2)c(C)n1 ZINC000830395164 587548984 /nfs/dbraw/zinc/54/89/84/587548984.db2.gz CIAIBTDFGZIBDU-UHFFFAOYSA-N -1 0 249.314 2.253 20 0 BEADRM Cc1ccc(N[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000830396284 587549262 /nfs/dbraw/zinc/54/92/62/587549262.db2.gz XCETVXMHHCTVNR-NSHDSACASA-N -1 0 220.272 2.159 20 0 BEADRM Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000830471729 587552949 /nfs/dbraw/zinc/55/29/49/587552949.db2.gz JODSOXTUVXKGRK-DGCLKSJQSA-N -1 0 248.326 2.398 20 0 BEADRM Cc1cccc(N[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000830521180 587555392 /nfs/dbraw/zinc/55/53/92/587555392.db2.gz CZWKEAWKMTXHRW-NSHDSACASA-N -1 0 220.272 2.159 20 0 BEADRM Cc1cccc(N[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000830521179 587555418 /nfs/dbraw/zinc/55/54/18/587555418.db2.gz CZWKEAWKMTXHRW-LLVKDONJSA-N -1 0 220.272 2.159 20 0 BEADRM Cc1cccnc1NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000830595569 587559496 /nfs/dbraw/zinc/55/94/96/587559496.db2.gz PYUQVFXSZZWFCH-LLVKDONJSA-N -1 0 249.314 2.192 20 0 BEADRM Cc1cccnc1NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830595570 587559586 /nfs/dbraw/zinc/55/95/86/587559586.db2.gz PYUQVFXSZZWFCH-NSHDSACASA-N -1 0 249.314 2.192 20 0 BEADRM CN(C/C=C/Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830723384 587565492 /nfs/dbraw/zinc/56/54/92/587565492.db2.gz UTTNESWKMCIQMP-AYLMVEPYSA-N -1 0 239.702 2.497 20 0 BEADRM Cc1nc(NCC(C)(C)NC(=O)[O-])sc1C ZINC000830775960 587569921 /nfs/dbraw/zinc/56/99/21/587569921.db2.gz XHHYSRQYVWWQNJ-UHFFFAOYSA-N -1 0 243.332 2.218 20 0 BEADRM CO[C@H](C(=O)[N-]OCC(C)C)C1CCCCC1 ZINC000830894647 587576060 /nfs/dbraw/zinc/57/60/60/587576060.db2.gz TZQQRHVBBQJPEA-LBPRGKRZSA-N -1 0 243.347 2.286 20 0 BEADRM O=C([O-])N(CC(=O)OCC1CC1)c1ccccc1 ZINC000831456034 587609842 /nfs/dbraw/zinc/60/98/42/587609842.db2.gz RZNJWWSDVBMUDM-UHFFFAOYSA-N -1 0 249.266 2.124 20 0 BEADRM CCON(CC)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000831467479 587611267 /nfs/dbraw/zinc/61/12/67/587611267.db2.gz OEBJTXFHJLIYNX-UHFFFAOYSA-N -1 0 245.225 2.084 20 0 BEADRM CO[C@@H](C(=O)[N-]OC1CCCC1)C1CCCC1 ZINC000831706576 587628267 /nfs/dbraw/zinc/62/82/67/587628267.db2.gz GXSQXYFWGSDMHQ-GFCCVEGCSA-N -1 0 241.331 2.182 20 0 BEADRM COCCS[C@H](C(=O)[O-])c1ccccc1F ZINC000831788252 587631912 /nfs/dbraw/zinc/63/19/12/587631912.db2.gz MAGVYZDUMGPSLM-JTQLQIEISA-N -1 0 244.287 2.331 20 0 BEADRM O=C([O-])N1CCC[C@@H](Nc2ccccc2)C1 ZINC000831985865 587641665 /nfs/dbraw/zinc/64/16/65/587641665.db2.gz MTQZBTCIQZNBDI-LLVKDONJSA-N -1 0 220.272 2.241 20 0 BEADRM O=C([O-])NC1(C(=O)OC2CCCCCC2)CC1 ZINC000832185593 587649302 /nfs/dbraw/zinc/64/93/02/587649302.db2.gz GHBOXYHQWIHFMJ-UHFFFAOYSA-N -1 0 241.287 2.053 20 0 BEADRM O=C([O-])NC1(c2cccc(F)c2)CCOCC1 ZINC000832222582 587651202 /nfs/dbraw/zinc/65/12/02/587651202.db2.gz CKYUGPKFLHKNSJ-UHFFFAOYSA-N -1 0 239.246 2.099 20 0 BEADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Oc2ccccc2)C1 ZINC000832313193 587653868 /nfs/dbraw/zinc/65/38/68/587653868.db2.gz QPTVYVLQGZYUQA-NXEZZACHSA-N -1 0 249.266 2.028 20 0 BEADRM O=C([N-]OC1CCC1)C1(C(F)(F)F)CCC1 ZINC000832333501 587654415 /nfs/dbraw/zinc/65/44/15/587654415.db2.gz ZZSKQHHWEZVLJA-UHFFFAOYSA-N -1 0 237.221 2.319 20 0 BEADRM COc1ccc(CSC[C@H](C)C(=O)[O-])cn1 ZINC000832363101 587656366 /nfs/dbraw/zinc/65/63/66/587656366.db2.gz VVBXXONDYUXMPP-QMMMGPOBSA-N -1 0 241.312 2.044 20 0 BEADRM O=C([O-])N[C@@H]1COc2ccc(Cl)cc21 ZINC000832392288 587657644 /nfs/dbraw/zinc/65/76/44/587657644.db2.gz OXLAKPDDXIWTRA-SSDOTTSWSA-N -1 0 213.620 2.041 20 0 BEADRM CC[C@@H](C)CO[N-]C(=O)CSC(F)F ZINC000832732947 587680720 /nfs/dbraw/zinc/68/07/20/587680720.db2.gz NVLATVOWJWJSOL-ZCFIWIBFSA-N -1 0 227.276 2.036 20 0 BEADRM CS[C@@H](C(=O)[O-])c1ccccc1F ZINC000832736192 587681100 /nfs/dbraw/zinc/68/11/00/587681100.db2.gz RIVMIZPJDCQUHQ-MRVPVSSYSA-N -1 0 200.234 2.314 20 0 BEADRM Cc1cc(OC(=O)[C@@H](C)CC(=O)[O-])ccc1F ZINC000832898834 587694501 /nfs/dbraw/zinc/69/45/01/587694501.db2.gz DETUDGXSWBVJLR-QMMMGPOBSA-N -1 0 240.230 2.150 20 0 BEADRM Cc1cc(OCC(=O)[O-])ccc1NC(C)C ZINC000832902456 587694531 /nfs/dbraw/zinc/69/45/31/587694531.db2.gz XCTNWBXVXJWIDG-UHFFFAOYSA-N -1 0 223.272 2.279 20 0 BEADRM Cc1cc(NC(=O)[C@H]2CC23CCC3)c(C(=O)[O-])[nH]1 ZINC000832893694 587694559 /nfs/dbraw/zinc/69/45/59/587694559.db2.gz YKHPFCYWBPHQTN-MRVPVSSYSA-N -1 0 248.282 2.150 20 0 BEADRM Cc1ccc(C)c(OC(=O)[C@H](C)CC(=O)[O-])c1 ZINC000832926092 587694912 /nfs/dbraw/zinc/69/49/12/587694912.db2.gz FSUGATDBNUFYTR-SNVBAGLBSA-N -1 0 236.267 2.320 20 0 BEADRM Cc1ccc(F)cc1NC(=O)[C@@H](C)CC(=O)[O-] ZINC000832934764 587695401 /nfs/dbraw/zinc/69/54/01/587695401.db2.gz QFWKBYZQQSPWDE-QMMMGPOBSA-N -1 0 239.246 2.183 20 0 BEADRM Cc1ccc(F)cc1NC(=O)[C@H](C)CC(=O)[O-] ZINC000832934760 587695495 /nfs/dbraw/zinc/69/54/95/587695495.db2.gz QFWKBYZQQSPWDE-MRVPVSSYSA-N -1 0 239.246 2.183 20 0 BEADRM Cc1ccc(OC(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000832953695 587695702 /nfs/dbraw/zinc/69/57/02/587695702.db2.gz YUFGAMJRNIBFIJ-VIFPVBQESA-N -1 0 222.240 2.011 20 0 BEADRM Cc1cccc(OC(=O)[C@@H](C)CC(=O)[O-])c1 ZINC000832973344 587695993 /nfs/dbraw/zinc/69/59/93/587695993.db2.gz WZTHCGOCANAEMW-VIFPVBQESA-N -1 0 222.240 2.011 20 0 BEADRM Cc1cccc(OC(=O)[C@H](C)CC(=O)[O-])c1 ZINC000832973343 587696074 /nfs/dbraw/zinc/69/60/74/587696074.db2.gz WZTHCGOCANAEMW-SECBINFHSA-N -1 0 222.240 2.011 20 0 BEADRM Cc1nc(C(=O)[O-])cn1CC1CCCC1 ZINC000832995350 587696226 /nfs/dbraw/zinc/69/62/26/587696226.db2.gz DLMITYFGIVSSBO-UHFFFAOYSA-N -1 0 208.261 2.080 20 0 BEADRM Cc1nc(C)c(F)c(SCCCC(=O)[O-])n1 ZINC000832996320 587697068 /nfs/dbraw/zinc/69/70/68/587697068.db2.gz ZGFPEEWJQPCDLJ-UHFFFAOYSA-N -1 0 244.291 2.189 20 0 BEADRM Cn1cc(NC(=O)C[C@H]2C=CCC2)cc1C(=O)[O-] ZINC000833044858 587698025 /nfs/dbraw/zinc/69/80/25/587698025.db2.gz FSZJERPPUCZLPR-VIFPVBQESA-N -1 0 248.282 2.018 20 0 BEADRM Cn1cncc1COc1ccccc1NC(=O)[O-] ZINC000833058198 587698545 /nfs/dbraw/zinc/69/85/45/587698545.db2.gz GZJXBABFRFIEFV-UHFFFAOYSA-N -1 0 247.254 2.089 20 0 BEADRM O=C([O-])c1cc(F)ccc1NC(=O)/C=C/C1CC1 ZINC000833092886 587700226 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227.304 2.054 20 0 BEADRM CC[C@H](C)CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000908969540 639106701 /nfs/dbraw/zinc/10/67/01/639106701.db2.gz FTQFRGLDYXZUAI-GXSJLCMTSA-N -1 0 243.347 2.428 20 0 BEADRM CC[C@@H](C)CCC(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000908969541 639107206 /nfs/dbraw/zinc/10/72/06/639107206.db2.gz FTQFRGLDYXZUAI-KOLCDFICSA-N -1 0 243.347 2.428 20 0 BEADRM CC[C@@H](C)CCC(=O)NC(C)(C)CC(=O)[O-] ZINC000909014073 639114372 /nfs/dbraw/zinc/11/43/72/639114372.db2.gz JHHLDSRXACPFHE-SECBINFHSA-N -1 0 229.320 2.182 20 0 BEADRM CC(C)(CC(=O)[O-])NC(=O)CC1(C)CCCC1 ZINC000909014063 639114701 /nfs/dbraw/zinc/11/47/01/639114701.db2.gz IKTFYWOYFGWKSA-UHFFFAOYSA-N -1 0 241.331 2.326 20 0 BEADRM CCCC(=CC(=O)N(C)[C@@H](C)C(=O)[O-])CCC ZINC000908985162 639115169 /nfs/dbraw/zinc/11/51/69/639115169.db2.gz KHOFNSDXAJPVGS-JTQLQIEISA-N -1 0 241.331 2.445 20 0 BEADRM CC/C(C)=C\C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC000909056535 639133726 /nfs/dbraw/zinc/13/37/26/639133726.db2.gz KMRDPXWZOBAPOZ-ZVTBTPLYSA-N 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/nfs/dbraw/zinc/33/86/40/587338640.db2.gz YJWYYKJPRCCLLN-UHFFFAOYSA-N -1 0 249.270 2.156 20 0 BEADRM C[C@@H](NC(=O)[O-])C(=O)O[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000825783818 587338648 /nfs/dbraw/zinc/33/86/48/587338648.db2.gz PFXKQVKXZKLGGT-RGOKHQFPSA-N -1 0 243.303 2.010 20 0 BEADRM C/C(=C\COC(=O)c1ccccc1C)C(=O)[O-] ZINC000825781453 587338701 /nfs/dbraw/zinc/33/87/01/587338701.db2.gz VTTOEQUFOVWYTA-JXMROGBWSA-N -1 0 234.251 2.183 20 0 BEADRM C/C(=C\COC(=O)c1cscc1C)C(=O)[O-] ZINC000825786491 587339080 /nfs/dbraw/zinc/33/90/80/587339080.db2.gz KIJFAXNSKLPOAZ-XVNBXDOJSA-N -1 0 240.280 2.244 20 0 BEADRM C/C(=C/Cn1ccc(=O)c2sccc21)C(=O)[O-] ZINC000825792517 587339287 /nfs/dbraw/zinc/33/92/87/587339287.db2.gz GIAZPZCQLPUBEE-WAPJZHGLSA-N -1 0 249.291 2.094 20 0 BEADRM CC(=O)[C@@H](C)SCc1cc(C(=O)[O-])co1 ZINC000825809099 587340444 /nfs/dbraw/zinc/34/04/44/587340444.db2.gz MZIYMOIYWQSILX-SSDOTTSWSA-N -1 0 228.269 2.189 20 0 BEADRM C[C@@H]1C[C@H]1C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000825853061 587341719 /nfs/dbraw/zinc/34/17/19/587341719.db2.gz SYVALCPLGZCZMC-LDYMZIIASA-N -1 0 249.266 2.362 20 0 BEADRM C[C@@H]1CC[C@@H](CC(=O)OCCCNC(=O)[O-])C1 ZINC000825873813 587343151 /nfs/dbraw/zinc/34/31/51/587343151.db2.gz WSDWLYQQBSNXNQ-NXEZZACHSA-N -1 0 243.303 2.014 20 0 BEADRM C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000825931581 587346151 /nfs/dbraw/zinc/34/61/51/587346151.db2.gz LYUDTWJPJGPNJJ-SECBINFHSA-N -1 0 248.282 2.401 20 0 BEADRM C[C@H](C(=O)OCc1ccc(C(=O)[O-])o1)C1CC1 ZINC000826064805 587350072 /nfs/dbraw/zinc/35/00/72/587350072.db2.gz PQITXHQEPPWMMH-ZETCQYMHSA-N -1 0 238.239 2.067 20 0 BEADRM CC(C)=C(C)C(=O)OCc1occc1C(=O)[O-] ZINC000826641463 587357552 /nfs/dbraw/zinc/35/75/52/587357552.db2.gz BXGLTOIJDLVFOB-UHFFFAOYSA-N -1 0 238.239 2.377 20 0 BEADRM CCC[C@@](C)(NC(=O)[O-])C(=O)OCC1CCC1 ZINC000826721209 587360020 /nfs/dbraw/zinc/36/00/20/587360020.db2.gz QEPWURAQDUHFQS-GFCCVEGCSA-N -1 0 243.303 2.156 20 0 BEADRM CC(C)[C@H](OC(=O)CCC1CCC1)C(=O)[O-] ZINC000826723257 587360273 /nfs/dbraw/zinc/36/02/73/587360273.db2.gz RDMBUEPYNJGKBI-NSHDSACASA-N -1 0 228.288 2.219 20 0 BEADRM CCC[C@H](C)OC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000826734185 587360387 /nfs/dbraw/zinc/36/03/87/587360387.db2.gz GRYOZHANOXIZBV-JOYOIKCWSA-N -1 0 243.303 2.108 20 0 BEADRM CCC[C@@H](NC(=O)[O-])C(=O)O[C@H](C)C(C)C ZINC000826757721 587360481 /nfs/dbraw/zinc/36/04/81/587360481.db2.gz IEFTWMBJULMTDK-RKDXNWHRSA-N -1 0 231.292 2.010 20 0 BEADRM CCC[C@H](C)OC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000826735043 587360638 /nfs/dbraw/zinc/36/06/38/587360638.db2.gz LVKVITGZONRSSU-VHSXEESVSA-N -1 0 243.303 2.251 20 0 BEADRM CCC[C@@H](CC)OC(=O)[C@H](CC)NC(=O)[O-] ZINC000826736476 587360670 /nfs/dbraw/zinc/36/06/70/587360670.db2.gz VLBFXJCPQYWQMI-BDAKNGLRSA-N -1 0 231.292 2.155 20 0 BEADRM CC(C)C[C@@H](C)OC(=O)[C@@H](C)CC(=O)[O-] ZINC000826759265 587361329 /nfs/dbraw/zinc/36/13/29/587361329.db2.gz BTJFHCHPPDLWSJ-DTWKUNHWSA-N -1 0 216.277 2.075 20 0 BEADRM CCC[C@H](NC(=O)[O-])C(=O)O[C@H](C)C(C)C ZINC000826757718 587361342 /nfs/dbraw/zinc/36/13/42/587361342.db2.gz IEFTWMBJULMTDK-BDAKNGLRSA-N -1 0 231.292 2.010 20 0 BEADRM CCCC1(C(=O)OC[C@@H](C)NC(=O)[O-])CCC1 ZINC000826768458 587361707 /nfs/dbraw/zinc/36/17/07/587361707.db2.gz HRYWLRLMHCZMIR-SECBINFHSA-N -1 0 243.303 2.156 20 0 BEADRM CCCCC(=O)NCC(CC)(CC)NC(=O)[O-] ZINC000826773887 587361822 /nfs/dbraw/zinc/36/18/22/587361822.db2.gz BAUWJEAVJCABPR-UHFFFAOYSA-N -1 0 244.335 2.119 20 0 BEADRM CCCCCOC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000826826297 587362330 /nfs/dbraw/zinc/36/23/30/587362330.db2.gz QKZAYJJNKDFOEX-JTQLQIEISA-N -1 0 243.303 2.252 20 0 BEADRM CC(C)C[C@H](OC(=O)C1=CCCC1)C(=O)[O-] ZINC000826812016 587362954 /nfs/dbraw/zinc/36/29/54/587362954.db2.gz GRWBNJXRVRQVDL-JTQLQIEISA-N -1 0 226.272 2.139 20 0 BEADRM CC(C)CCC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000826844745 587364109 /nfs/dbraw/zinc/36/41/09/587364109.db2.gz HQPHIJFHCVECQT-UHFFFAOYSA-N -1 0 238.287 2.098 20 0 BEADRM CC(C)NC(=S)Nc1ccc(C(=O)[O-])s1 ZINC000826980785 587367154 /nfs/dbraw/zinc/36/71/54/587367154.db2.gz YODGRLSHUSTOTG-UHFFFAOYSA-N -1 0 244.341 2.141 20 0 BEADRM O=C(NCC1CC=CC1)c1cccc(F)c1[O-] ZINC000827078050 587369576 /nfs/dbraw/zinc/36/95/76/587369576.db2.gz KCGSTGTZYBZIIW-UHFFFAOYSA-N -1 0 235.258 2.227 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)N(C)[C@H](C)c1ccccc1 ZINC000827240287 587373724 /nfs/dbraw/zinc/37/37/24/587373724.db2.gz JEHDJLKTEFUJSI-GHMZBOCLSA-N -1 0 249.310 2.317 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)N1CC[C@@H]1c1ccccc1 ZINC000827258142 587374426 /nfs/dbraw/zinc/37/44/26/587374426.db2.gz XACLLPWVPYOMRV-ZYHUDNBSSA-N -1 0 247.294 2.071 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000827273736 587374887 /nfs/dbraw/zinc/37/48/87/587374887.db2.gz SSBSUBCVIBUDEW-ZJUUUORDSA-N -1 0 247.294 2.075 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCCCC1(C)C ZINC000827273756 587374962 /nfs/dbraw/zinc/37/49/62/587374962.db2.gz TUWNSHPBOQPWRJ-ZJUUUORDSA-N -1 0 241.331 2.182 20 0 BEADRM CCNc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000827274582 587375030 /nfs/dbraw/zinc/37/50/30/587375030.db2.gz JCQFHZRKPCXGLK-MRVPVSSYSA-N -1 0 208.261 2.447 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)NCCCC1CCCC1 ZINC000827291566 587375672 /nfs/dbraw/zinc/37/56/72/587375672.db2.gz LFDNTSDRPVNJKL-SNVBAGLBSA-N -1 0 241.331 2.184 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)OC[C@H]1CC=CC[C@H]1C ZINC000827341947 587377826 /nfs/dbraw/zinc/37/78/26/587377826.db2.gz QKSVOZXTBLGUJA-GMTAPVOTSA-N -1 0 240.299 2.243 20 0 BEADRM C[C@@H](CC(=O)[O-])c1nc(-c2ccc(O)cc2)no1 ZINC000827391495 587379468 /nfs/dbraw/zinc/37/94/68/587379468.db2.gz DOAADJHDFBRULU-ZETCQYMHSA-N -1 0 248.238 2.020 20 0 BEADRM CCc1ccc(N[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000827589415 587391197 /nfs/dbraw/zinc/39/11/97/587391197.db2.gz KMDBVCOYRMQJTM-GFCCVEGCSA-N -1 0 234.299 2.413 20 0 BEADRM C[C@H](OC(=O)[C@@H]1C[C@@H]1C1CCCCC1)C(=O)[O-] ZINC000827819262 587404068 /nfs/dbraw/zinc/40/40/68/587404068.db2.gz YTXQAUQDOBTYDP-JMJZKYOTSA-N -1 0 240.299 2.219 20 0 BEADRM C[C@H](OC(=O)[C@@H]1C[C@H]1C1CCCCC1)C(=O)[O-] ZINC000827819261 587404235 /nfs/dbraw/zinc/40/42/35/587404235.db2.gz YTXQAUQDOBTYDP-INTQDDNPSA-N -1 0 240.299 2.219 20 0 BEADRM C[C@@H](OC(=O)CCCN(C)C(=O)[O-])C1CCC1 ZINC000827834258 587404987 /nfs/dbraw/zinc/40/49/87/587404987.db2.gz WWSOZYHHWVDBAZ-SECBINFHSA-N -1 0 243.303 2.108 20 0 BEADRM CN(C)c1cc(CNC(=O)[O-])c2ccccc2n1 ZINC000828055139 587418108 /nfs/dbraw/zinc/41/81/08/587418108.db2.gz DWLRRJONHSSATN-UHFFFAOYSA-N -1 0 245.282 2.068 20 0 BEADRM CCC[C@H](C(=O)NC(C)(C)CC(=O)[O-])C(C)C ZINC000828095014 587419217 /nfs/dbraw/zinc/41/92/17/587419217.db2.gz HYJNJRFMSBCMFE-JTQLQIEISA-N -1 0 243.347 2.428 20 0 BEADRM CN(CC(=O)OCCC1CCCCC1)C(=O)[O-] ZINC000828120091 587420323 /nfs/dbraw/zinc/42/03/23/587420323.db2.gz APOVHYZBEVSPEC-UHFFFAOYSA-N -1 0 243.303 2.110 20 0 BEADRM C[C@@H]1C[C@H]1c1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000828202009 587423465 /nfs/dbraw/zinc/42/34/65/587423465.db2.gz ZVMMYVWZYDLJMO-HZGVNTEJSA-N -1 0 244.250 2.157 20 0 BEADRM C[C@@H]1C[C@@H]1COC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000828192386 587423582 /nfs/dbraw/zinc/42/35/82/587423582.db2.gz OWKGBTQQBCUIRP-CHWFTXMASA-N -1 0 240.299 2.077 20 0 BEADRM C[C@@H]1C[C@@H]1c1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000828202011 587423633 /nfs/dbraw/zinc/42/36/33/587423633.db2.gz ZVMMYVWZYDLJMO-MUWHJKNJSA-N -1 0 244.250 2.157 20 0 BEADRM O=C([N-]OCC(F)F)C1(C(F)(F)F)CCC1 ZINC000828460798 587443949 /nfs/dbraw/zinc/44/39/49/587443949.db2.gz APTDSORMAQCBFY-UHFFFAOYSA-N -1 0 247.163 2.032 20 0 BEADRM C/C=C(/C=C\C(=O)N(C)C[C@@H](C)C(=O)[O-])CC ZINC000828535068 587448741 /nfs/dbraw/zinc/44/87/41/587448741.db2.gz VRQKVLDWASNUCW-YDYYMYBSSA-N -1 0 239.315 2.078 20 0 BEADRM C/C=C(/C)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000828534140 587448762 /nfs/dbraw/zinc/44/87/62/587448762.db2.gz BEWHWBYARIGDSM-OQFOIZHKSA-N -1 0 234.251 2.185 20 0 BEADRM C/C=C(\C)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000828534141 587449025 /nfs/dbraw/zinc/44/90/25/587449025.db2.gz BEWHWBYARIGDSM-YCRREMRBSA-N -1 0 234.251 2.185 20 0 BEADRM C/C=C/C=C\C(=O)N[C@@H](CCCCC)C(=O)[O-] ZINC000828543426 587449684 /nfs/dbraw/zinc/44/96/84/587449684.db2.gz UBKYNCWLEMEIPD-RWEXOPQXSA-N -1 0 239.315 2.268 20 0 BEADRM C/C=C(/C=C\C(=O)NCC(C)(C)C(=O)[O-])CC ZINC000828543511 587449767 /nfs/dbraw/zinc/44/97/67/587449767.db2.gz VSTHSEOSQHRYMA-GBLFQTLVSA-N -1 0 239.315 2.126 20 0 BEADRM CCC(=CC(=O)N(CCC(=O)[O-])C(C)C)CC ZINC000828548541 587450099 /nfs/dbraw/zinc/45/00/99/587450099.db2.gz BOMULHVABHBXFR-UHFFFAOYSA-N -1 0 241.331 2.445 20 0 BEADRM CCC(=CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC ZINC000828549473 587450307 /nfs/dbraw/zinc/45/03/07/587450307.db2.gz LUJLNJJRDLMJQJ-LLVKDONJSA-N -1 0 241.331 2.348 20 0 BEADRM CCC(C)(C)COC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000828609731 587453346 /nfs/dbraw/zinc/45/33/46/587453346.db2.gz WMXTYBXIUNCWBR-VIFPVBQESA-N -1 0 245.319 2.258 20 0 BEADRM CCC(C)(C)COC(=O)CCCNC(=O)[O-] ZINC000828609331 587453473 /nfs/dbraw/zinc/45/34/73/587453473.db2.gz ORJMKCJKOIVXEB-UHFFFAOYSA-N -1 0 231.292 2.014 20 0 BEADRM CCC(C)(C)CCOC(=O)[C@@H](C)CC(=O)[O-] ZINC000828608572 587453515 /nfs/dbraw/zinc/45/35/15/587453515.db2.gz CZFMCXSCCNNVRP-VIFPVBQESA-N -1 0 230.304 2.467 20 0 BEADRM CC[C@](C)(NC(=O)/C=C1\CC[C@@H](C)C1)C(=O)[O-] ZINC000828685199 587457050 /nfs/dbraw/zinc/45/70/50/587457050.db2.gz HHLOASHLKUVZIC-OSHGPIMHSA-N -1 0 239.315 2.102 20 0 BEADRM CC[C@](C)(NC(=O)[C@@H](C)C1CCCC1)C(=O)[O-] ZINC000828685960 587457348 /nfs/dbraw/zinc/45/73/48/587457348.db2.gz TUTNIKAGIOZIMW-ZANVPECISA-N -1 0 241.331 2.182 20 0 BEADRM CC[C@](C)(NC/C=C(\C)C(=O)[O-])C(F)(F)F ZINC000828693761 587457583 /nfs/dbraw/zinc/45/75/83/587457583.db2.gz ZVWXAYBAFHLXHO-IWGCBNPKSA-N -1 0 239.237 2.338 20 0 BEADRM CC[C@H](C)C[C@H](C)NC(=O)[C@@H](C)CC(=O)[O-] ZINC000828737466 587459475 /nfs/dbraw/zinc/45/94/75/587459475.db2.gz KVPBYPIRENXPNK-GUBZILKMSA-N -1 0 229.320 2.038 20 0 BEADRM CC[C@H](C)COC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000828746613 587459987 /nfs/dbraw/zinc/45/99/87/587459987.db2.gz FVLMHDUORAUHEK-DCAQKATOSA-N 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/nfs/dbraw/zinc/34/49/16/167344916.db2.gz ALZRDMGBHQDTMQ-ZYHUDNBSSA-N -1 0 249.310 2.016 20 0 BEADRM CC(C)[C@@H](C)N(C)c1ccc(C(=O)[O-])cn1 ZINC000036788131 167370703 /nfs/dbraw/zinc/37/07/03/167370703.db2.gz MUHSBIRBLANRTH-SECBINFHSA-N -1 0 222.288 2.261 20 0 BEADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CC1CCCC1 ZINC000653314842 410948492 /nfs/dbraw/zinc/94/84/92/410948492.db2.gz ILFGXXONQGNKFQ-MWLCHTKSSA-N -1 0 239.315 2.031 20 0 BEADRM C[C@H]1CN(C(=O)C(C)(C)C(=O)[O-])c2ccccc21 ZINC000398517281 410970564 /nfs/dbraw/zinc/97/05/64/410970564.db2.gz TXHGGTQMYWHLFT-VIFPVBQESA-N -1 0 247.294 2.248 20 0 BEADRM Cc1n[n-]c(=NC2CC3(CCC3)C2)s1 ZINC000651473237 411055243 /nfs/dbraw/zinc/05/52/43/411055243.db2.gz FCOCJSAPGMKKMP-UHFFFAOYSA-N -1 0 209.318 2.013 20 0 BEADRM CC(C)c1ccc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000037517443 167604401 /nfs/dbraw/zinc/60/44/01/167604401.db2.gz QAMQQFDODJDEJU-VXGBXAGGSA-N -1 0 247.294 2.469 20 0 BEADRM CC(C)c1ccc(NC(=O)CNC(=O)[O-])cc1 ZINC000285671265 167605201 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/nfs/dbraw/zinc/26/74/31/411267431.db2.gz BYEKATNZCBACML-WCBMZHEXSA-N -1 0 249.314 2.411 20 0 BEADRM CC(C)c1cccc(C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000659131718 411372971 /nfs/dbraw/zinc/37/29/71/411372971.db2.gz VVSCRSAFSRDULB-VIFPVBQESA-N -1 0 235.283 2.013 20 0 BEADRM O=C([O-])c1ccc(NC[C@@H]2CCC[C@H]3C[C@H]32)nn1 ZINC000656783456 411360346 /nfs/dbraw/zinc/36/03/46/411360346.db2.gz QBRGKBYYDYSIBL-LPEHRKFASA-N -1 0 247.298 2.023 20 0 BEADRM O=C([O-])c1coc(NC[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000656783134 411360393 /nfs/dbraw/zinc/36/03/93/411360393.db2.gz LTJBJCDCWXXYPJ-XHNCKOQMSA-N -1 0 236.271 2.221 20 0 BEADRM CC[C@@H](C)CCNc1ccc(C(=O)[O-])nn1 ZINC000656783780 411361715 /nfs/dbraw/zinc/36/17/15/411361715.db2.gz WUAZOEQDFSAMIJ-MRVPVSSYSA-N -1 0 223.276 2.023 20 0 BEADRM CCC1(CC)CCCN(C(=O)CCC(=O)[O-])C1 ZINC000659197538 411362272 /nfs/dbraw/zinc/36/22/72/411362272.db2.gz FMEWYSUHXUVFBZ-UHFFFAOYSA-N -1 0 241.331 2.280 20 0 BEADRM CC[C@H](C(=O)[O-])N(C)C(=O)C[C@@H]1CC[C@H](C)C1 ZINC000653341805 411363754 /nfs/dbraw/zinc/36/37/54/411363754.db2.gz MJYQGLANANQPOS-HBNTYKKESA-N -1 0 241.331 2.134 20 0 BEADRM CC[C@H](C)N(C)C(=O)c1cc(C(=O)[O-])oc1C ZINC000659121075 411370985 /nfs/dbraw/zinc/37/09/85/411370985.db2.gz UMAZNNLMJRKZRJ-ZETCQYMHSA-N -1 0 239.271 2.157 20 0 BEADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCCF ZINC000659129195 411371484 /nfs/dbraw/zinc/37/14/84/411371484.db2.gz HMGYSOJVDSZBOE-UHFFFAOYSA-N -1 0 239.246 2.381 20 0 BEADRM CC1(C)CC[C@@H]1C(=O)NCCCCCC(=O)[O-] ZINC000659129519 411371516 /nfs/dbraw/zinc/37/15/16/411371516.db2.gz SQZRJIPUYFFMEU-SNVBAGLBSA-N -1 0 241.331 2.184 20 0 BEADRM CCC[C@@H]1CCC[C@@H]1C(=O)N(C)CCC(=O)[O-] ZINC000659131627 411371958 /nfs/dbraw/zinc/37/19/58/411371958.db2.gz RXQUJZAELOCOND-MNOVXSKESA-N -1 0 241.331 2.136 20 0 BEADRM CC1(CCNC(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000262879539 168021016 /nfs/dbraw/zinc/02/10/16/168021016.db2.gz KMPMUPDYQXQZKG-UHFFFAOYSA-N -1 0 247.294 2.305 20 0 BEADRM CC1(CNc2nccnc2C(=O)[O-])CCCC1 ZINC000104437758 168050636 /nfs/dbraw/zinc/05/06/36/168050636.db2.gz DACKJOQWSDSBNA-UHFFFAOYSA-N -1 0 235.287 2.167 20 0 BEADRM CCCC[C@@H](C)C(=O)N(C)[C@H](C)CC(=O)[O-] ZINC000659218841 411378803 /nfs/dbraw/zinc/37/88/03/411378803.db2.gz YYCXPOPVKHLIQA-NXEZZACHSA-N -1 0 229.320 2.134 20 0 BEADRM CC1=CCCN(C(=O)c2ccc(F)cc2[O-])C1 ZINC000230812984 168098467 /nfs/dbraw/zinc/09/84/67/168098467.db2.gz XFZNNZWCOMGLBR-UHFFFAOYSA-N -1 0 235.258 2.324 20 0 BEADRM CCC[C@H](C)CC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659231721 411380771 /nfs/dbraw/zinc/38/07/71/411380771.db2.gz VXCXYOGQGPJUAF-GARJFASQSA-N -1 0 241.331 2.134 20 0 BEADRM CC[C@H](C)CCNC(=O)CCCCC(=O)[O-] ZINC000659169870 411375118 /nfs/dbraw/zinc/37/51/18/411375118.db2.gz DYYHCTQMHNATKX-JTQLQIEISA-N -1 0 229.320 2.184 20 0 BEADRM O=C([O-])c1cnc(N2CCCCCC2)s1 ZINC000054909808 411388048 /nfs/dbraw/zinc/38/80/48/411388048.db2.gz RQQUOJGAFSHBKT-UHFFFAOYSA-N -1 0 226.301 2.222 20 0 BEADRM CCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000261569104 168243100 /nfs/dbraw/zinc/24/31/00/168243100.db2.gz GCSPTPBJYAIDMT-UHFFFAOYSA-N -1 0 221.256 2.350 20 0 BEADRM CCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000020334608 168248121 /nfs/dbraw/zinc/24/81/21/168248121.db2.gz XVUYWOFLWCAIIF-UHFFFAOYSA-N -1 0 239.296 2.284 20 0 BEADRM CC[C@H](C)[C@@H](C)NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000656848697 411384784 /nfs/dbraw/zinc/38/47/84/411384784.db2.gz GFICUPJYSXJDGC-IGJMFERPSA-N -1 0 241.331 2.038 20 0 BEADRM CCC(C)(C)C(=O)NCCCCCC(=O)[O-] ZINC000054401591 168264240 /nfs/dbraw/zinc/26/42/40/168264240.db2.gz GMBYGBDMUVIVEG-UHFFFAOYSA-N -1 0 229.320 2.184 20 0 BEADRM CCC(C)(C)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC000054401895 168269106 /nfs/dbraw/zinc/26/91/06/168269106.db2.gz APNVLNCTSAHFEV-UHFFFAOYSA-N -1 0 236.271 2.155 20 0 BEADRM CCC(CC)CC(=O)N[C@](C)(CCF)C(=O)[O-] ZINC000659214029 411409625 /nfs/dbraw/zinc/40/96/25/411409625.db2.gz AWMCZLOYHKCHRJ-GFCCVEGCSA-N -1 0 247.310 2.132 20 0 BEADRM C[C@@H](CC(=O)[O-])n1cc(-c2ccco2)cn1 ZINC000657201224 411417839 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223.247 2.347 20 0 BEADRM CC(C)(C)[NH2+]Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902049903 584517218 /nfs/dbraw/zinc/51/72/18/584517218.db2.gz KWALQKHIMCXPER-VOTSOKGWSA-N -1 0 223.272 2.266 20 0 BEADRM C[C@H](Nc1ccc(F)cc1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000902052003 584517758 /nfs/dbraw/zinc/51/77/58/584517758.db2.gz VFRWJCZLAXHSQN-SWPVVBRQSA-N -1 0 223.247 2.347 20 0 BEADRM C[C@H](Nc1ccc(F)cc1)[C@H]1C[C@@H]1C(=O)[O-] ZINC000902052005 584517828 /nfs/dbraw/zinc/51/78/28/584517828.db2.gz VFRWJCZLAXHSQN-XROYCOCOSA-N -1 0 223.247 2.347 20 0 BEADRM COc1cccc(N[C@H](C)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000902051527 584517963 /nfs/dbraw/zinc/51/79/63/584517963.db2.gz LCORPGHZLVJHDQ-GGZOMVNGSA-N -1 0 235.283 2.216 20 0 BEADRM C[C@H](C(=O)[O-])C(=O)NCC[C@@H]1CCCC1(C)C ZINC000902133638 584525710 /nfs/dbraw/zinc/52/57/10/584525710.db2.gz BJZQEGYXLDTLKH-UWVGGRQHSA-N -1 0 241.331 2.040 20 0 BEADRM C[C@H](C(=O)[O-])C(=O)N1CC(C)(C)CCC1(C)C ZINC000902145083 584530454 /nfs/dbraw/zinc/53/04/54/584530454.db2.gz 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584814119 /nfs/dbraw/zinc/81/41/19/584814119.db2.gz FNFDKTRIQRHCHP-CMPLNLGQSA-N -1 0 231.295 2.078 20 0 BEADRM Cc1cccc2c1N(C[C@@H]1C[C@H]1C(=O)[O-])CC2 ZINC000903893817 584818934 /nfs/dbraw/zinc/81/89/34/584818934.db2.gz IOTJOGFPTJUOLV-NWDGAFQWSA-N -1 0 231.295 2.078 20 0 BEADRM O=C([O-])C(F)(F)CNC/C=C/c1ccccc1 ZINC000904032232 584838007 /nfs/dbraw/zinc/83/80/07/584838007.db2.gz UXSZPPAZLDSNAN-QPJJXVBHSA-N -1 0 241.237 2.009 20 0 BEADRM Cc1cnc(OC(C)C)c(N[C@@H](C)C(=O)[O-])c1 ZINC000904243775 584856755 /nfs/dbraw/zinc/85/67/55/584856755.db2.gz DWZONDRMUVZLMS-VIFPVBQESA-N -1 0 238.287 2.062 20 0 BEADRM COc1cc(N[C@@H](C)C(=O)[O-])c(C)cc1C ZINC000904235288 584857396 /nfs/dbraw/zinc/85/73/96/584857396.db2.gz GWQMYMSWXOPMKI-VIFPVBQESA-N -1 0 223.272 2.197 20 0 BEADRM CCCOc1ccc(N[C@@H](C)C(=O)[O-])cc1F ZINC000904252796 584858619 /nfs/dbraw/zinc/85/86/19/584858619.db2.gz IGDHEKVKDYOLGY-QMMMGPOBSA-N -1 0 241.262 2.500 20 0 BEADRM CC(C)c1ccc(N[C@H](C)C(=O)[O-])cn1 ZINC000904258860 584859458 /nfs/dbraw/zinc/85/94/58/584859458.db2.gz UTDDFVSUELCDHA-MRVPVSSYSA-N -1 0 208.261 2.090 20 0 BEADRM CC(C)=C(C)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000826642249 584894917 /nfs/dbraw/zinc/89/49/17/584894917.db2.gz TWRHDFYDZQBKSK-UHFFFAOYSA-N -1 0 239.315 2.104 20 0 BEADRM CC(C)C[C@H](OC(=O)[C@@H]1C[C@H]1C1CC1)C(=O)[O-] ZINC000826811340 584895605 /nfs/dbraw/zinc/89/56/05/584895605.db2.gz BQHAAZUCWAGVSN-AXFHLTTASA-N -1 0 240.299 2.075 20 0 BEADRM O=C(N[C@@H]1CC12CCC2)c1cccc(F)c1[O-] ZINC000828944784 584905047 /nfs/dbraw/zinc/90/50/47/584905047.db2.gz MFPHWIRTHATZJV-SNVBAGLBSA-N -1 0 235.258 2.204 20 0 BEADRM CCCC[C@H](C)OC(=O)CCCN(C)C(=O)[O-] ZINC000829285434 584906788 /nfs/dbraw/zinc/90/67/88/584906788.db2.gz MSWNEEKFAIGLIN-JTQLQIEISA-N -1 0 245.319 2.498 20 0 BEADRM CCCCOC(=O)[C@@H](C)SC[C@@H](C)C(=O)[O-] ZINC000829402651 584907258 /nfs/dbraw/zinc/90/72/58/584907258.db2.gz ZVOCRZMNCGTHGJ-RKDXNWHRSA-N -1 0 248.344 2.172 20 0 BEADRM CSCCCCC(=O)OC/C=C(/C)C(=O)[O-] ZINC000832762869 584912368 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/nfs/dbraw/zinc/99/89/23/584998923.db2.gz QJHMEXPARXIPCK-QMMMGPOBSA-N -1 0 240.255 2.313 20 0 BEADRM CC(C)CCCOC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000736426304 585001329 /nfs/dbraw/zinc/00/13/29/585001329.db2.gz LEBRASTZZPNBJX-SNVBAGLBSA-N -1 0 245.319 2.258 20 0 BEADRM CC(C)CCC(=O)O[C@@H](CC(C)C)C(=O)[O-] ZINC000736429493 585001925 /nfs/dbraw/zinc/00/19/25/585001925.db2.gz YJROBAYYJDEJKI-JTQLQIEISA-N -1 0 230.304 2.465 20 0 BEADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1CC1 ZINC000736542425 585005420 /nfs/dbraw/zinc/00/54/20/585005420.db2.gz ZJFVUIFJVZYLOQ-GZMMTYOYSA-N -1 0 241.331 2.038 20 0 BEADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])ccn1)C1CC1 ZINC000736548311 585005614 /nfs/dbraw/zinc/00/56/14/585005614.db2.gz KFFQMXUTPXLBCO-MRVPVSSYSA-N -1 0 248.282 2.155 20 0 BEADRM C[C@H](CC1CCCC1)C(=O)O[C@@H](C)C(=O)[O-] ZINC000736564068 585006156 /nfs/dbraw/zinc/00/61/56/585006156.db2.gz XBPXNWKEFMXRAZ-BDAKNGLRSA-N -1 0 228.288 2.219 20 0 BEADRM C[C@H](COC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccccc1 ZINC000736607561 585007570 /nfs/dbraw/zinc/00/75/70/585007570.db2.gz WUGXBBPMRLBXKH-YUSALJHKSA-N -1 0 248.278 2.054 20 0 BEADRM C[C@H](OC(=O)CCCC(C)(C)C)C(=O)[O-] ZINC000736682424 585009508 /nfs/dbraw/zinc/00/95/08/585009508.db2.gz FOOUHKTUVLEVPN-QMMMGPOBSA-N -1 0 216.277 2.219 20 0 BEADRM CC(C)c1nccc(S[C@@H](C)C(=O)[O-])n1 ZINC000736715767 585010326 /nfs/dbraw/zinc/01/03/26/585010326.db2.gz HQDCDFPKXIPUSL-ZETCQYMHSA-N -1 0 226.301 2.165 20 0 BEADRM C[C@H]1C[C@@H]1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736764467 585011916 /nfs/dbraw/zinc/01/19/16/585011916.db2.gz FTHGYOSBLSLCJX-KWQFWETISA-N -1 0 248.282 2.049 20 0 BEADRM C[C@H]1C[C@H]1CNC(=O)c1ccccc1NC(=O)[O-] ZINC000736767005 585011971 /nfs/dbraw/zinc/01/19/71/585011971.db2.gz YDWMZZGGNNVGOB-IUCAKERBSA-N -1 0 248.282 2.162 20 0 BEADRM C[C@@H]1C[C@@H]1CNC(=O)c1ccccc1NC(=O)[O-] ZINC000736767006 585012031 /nfs/dbraw/zinc/01/20/31/585012031.db2.gz YDWMZZGGNNVGOB-RKDXNWHRSA-N -1 0 248.282 2.162 20 0 BEADRM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)[O-] ZINC000736823964 585016990 /nfs/dbraw/zinc/01/69/90/585016990.db2.gz ZODAUBPQEIWJHH-GXSJLCMTSA-N -1 0 221.256 2.126 20 0 BEADRM C/C=C/C(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC000736839862 585017284 /nfs/dbraw/zinc/01/72/84/585017284.db2.gz GTTCQPPSIYPLTL-SMDADKPZSA-N -1 0 247.294 2.069 20 0 BEADRM CC[C@@H](C(=O)[O-])N(C(=O)C1CC1)c1ccccc1 ZINC000736851039 585017733 /nfs/dbraw/zinc/01/77/33/585017733.db2.gz ZWYZLOOTPDAJCH-LBPRGKRZSA-N -1 0 247.294 2.293 20 0 BEADRM CC[C@@H](C)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736886601 585019013 /nfs/dbraw/zinc/01/90/13/585019013.db2.gz KJZUMRHPWPJOTH-MRVPVSSYSA-N -1 0 236.271 2.305 20 0 BEADRM CC[C@@H](Nc1cccc2c1ccn2C)C(=O)[O-] ZINC000736923824 585019367 /nfs/dbraw/zinc/01/93/67/585019367.db2.gz KBCSUPSECTVARM-SNVBAGLBSA-N -1 0 232.283 2.453 20 0 BEADRM CC[C@@H]1CN(C(=O)[O-])c2ccccc2O1 ZINC000736939133 585019679 /nfs/dbraw/zinc/01/96/79/585019679.db2.gz MXLBKGJGJMEXBV-MRVPVSSYSA-N -1 0 207.229 2.342 20 0 BEADRM CC[C@@H]1CCCC[C@H]1OC(=O)CCNC(=O)[O-] 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984676759 /nfs/dbraw/zinc/67/67/59/984676759.db2.gz OVSNLCRWDUBXNL-DBIOUOCHSA-N -1 0 240.299 2.219 20 0 BEADRM C[C@H](CC(=O)[O-])OC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001599889520 984677621 /nfs/dbraw/zinc/67/76/21/984677621.db2.gz QNYZDLBWRLDCRM-NXEZZACHSA-N -1 0 240.299 2.363 20 0 BEADRM C[C@H](CC(=O)[O-])OC(=O)[C@@H]1CC[C@@H](C)CC1 ZINC001599889808 984680753 /nfs/dbraw/zinc/68/07/53/984680753.db2.gz AUEYYTHYRAUPGQ-OPRDCNLKSA-N -1 0 228.288 2.219 20 0 BEADRM C/C(=C\C(=O)[O-])Cn1ccc(=O)c2sccc21 ZINC001588951711 984681895 /nfs/dbraw/zinc/68/18/95/984681895.db2.gz DTENGTFQPCIMAW-SOFGYWHQSA-N -1 0 249.291 2.094 20 0 BEADRM Cc1cc(C(=O)[O-])ccc1-c1cccnn1 ZINC001243200569 984683980 /nfs/dbraw/zinc/68/39/80/984683980.db2.gz BKDMNQGXXBOZGR-UHFFFAOYSA-N -1 0 214.224 2.150 20 0 BEADRM Cc1cc(C(=O)[O-])ccc1-c1cncnc1C ZINC001243203987 984695763 /nfs/dbraw/zinc/69/57/63/984695763.db2.gz VQQYYCWRSHSGOH-UHFFFAOYSA-N -1 0 228.251 2.459 20 0 BEADRM C/C(=C/C(=O)OCC1(CC(=O)[O-])CC1)C1CC1 ZINC001588953611 984697549 /nfs/dbraw/zinc/69/75/49/984697549.db2.gz WZKAQRCFONPAGV-TWGQIWQCSA-N -1 0 238.283 2.141 20 0 BEADRM C/C(=C/C(C)(C)C)C(=O)O[C@H](C)CC(=O)[O-] ZINC001588955854 984699352 /nfs/dbraw/zinc/69/93/52/984699352.db2.gz AXADYCICVUIAPV-UFGYOYAJSA-N -1 0 228.288 2.385 20 0 BEADRM COc1ncncc1-c1ccc(C(=O)[O-])cc1C ZINC001243204171 984702249 /nfs/dbraw/zinc/70/22/49/984702249.db2.gz GIAJAGCMVHXCJJ-UHFFFAOYSA-N -1 0 244.250 2.159 20 0 BEADRM COc1cnc(-c2ccc(C(=O)[O-])c(C)c2)nc1 ZINC001243212963 984706439 /nfs/dbraw/zinc/70/64/39/984706439.db2.gz WRAQIFCGTZNAON-UHFFFAOYSA-N -1 0 244.250 2.159 20 0 BEADRM Cc1cc(-c2cncc(N)c2)ccc1C(=O)[O-] ZINC001243215127 984711250 /nfs/dbraw/zinc/71/12/50/984711250.db2.gz SSKHXFGGTJBKPN-UHFFFAOYSA-N -1 0 228.251 2.337 20 0 BEADRM Cc1cc(-c2ccc(=O)n(C)c2)ccc1C(=O)[O-] ZINC001243215419 984714680 /nfs/dbraw/zinc/71/46/80/984714680.db2.gz ZLJMGWMDXLJSCF-UHFFFAOYSA-N -1 0 243.262 2.059 20 0 BEADRM C/C(=C/CN(C)c1ccsc1)C(=O)[O-] ZINC001588959474 984724533 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Cc1csc(CN=c2[n-]nc(C3CC3)o2)c1 ZINC000450719921 202245060 /nfs/dbraw/zinc/24/50/60/202245060.db2.gz RLFLOUOMJAIPOB-UHFFFAOYSA-N -1 0 235.312 2.351 20 0 BEADRM C[C@H](CC(=O)[O-])CC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000226407213 358338919 /nfs/dbraw/zinc/33/89/19/358338919.db2.gz VMWGYMIMILYCKL-DCAQKATOSA-N -1 0 241.331 2.134 20 0 BEADRM CC[C@@H](C)[C@H](C)Nc1ccc(C(=O)[O-])nn1 ZINC000042559548 358351884 /nfs/dbraw/zinc/35/18/84/358351884.db2.gz RVCKKKVNJRSXNH-SFYZADRCSA-N -1 0 223.276 2.021 20 0 BEADRM Cc1[nH]nc(NC(=O)c2c([O-])cccc2F)c1C ZINC000228851258 358386277 /nfs/dbraw/zinc/38/62/77/358386277.db2.gz LMIUOLULHRKGEG-UHFFFAOYSA-N -1 0 249.245 2.124 20 0 BEADRM CC[C@H](Oc1ccc2c(c1)CCCC2=O)C(=O)[O-] ZINC000044746100 358393192 /nfs/dbraw/zinc/39/31/92/358393192.db2.gz AWHPLDCNOZLESQ-ZDUSSCGKSA-N -1 0 248.278 2.448 20 0 BEADRM CCCN(Cc1ccccc1)C(=O)[C@@H](C)C(=O)[O-] ZINC000229329446 358402131 /nfs/dbraw/zinc/40/21/31/358402131.db2.gz DAAZYOSPDWRHAB-LLVKDONJSA-N -1 0 249.310 2.146 20 0 BEADRM CCC[C@@H](NC(=O)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000229348513 358403045 /nfs/dbraw/zinc/40/30/45/358403045.db2.gz KSLQZJVXQNNKIN-ZYHUDNBSSA-N -1 0 249.310 2.365 20 0 BEADRM Cc1ccc2c(C)cc(NCC(=O)[O-])nc2c1 ZINC000212727965 358621405 /nfs/dbraw/zinc/62/14/05/358621405.db2.gz RRVOQJPABIMZRD-UHFFFAOYSA-N -1 0 230.267 2.348 20 0 BEADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)cc2)o1 ZINC000132580316 358728133 /nfs/dbraw/zinc/72/81/33/358728133.db2.gz MIBJXZORLHGWSZ-UHFFFAOYSA-N -1 0 249.197 2.369 20 0 BEADRM O=C([O-])CC[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000050924749 358739678 /nfs/dbraw/zinc/73/96/78/358739678.db2.gz WULRCKHBADMVMA-ZDUSSCGKSA-N -1 0 248.326 2.301 20 0 BEADRM O=c1nc(Cc2ccccc2Cl)[n-]o1 ZINC000053751209 358843617 /nfs/dbraw/zinc/84/36/17/358843617.db2.gz AQZAJUBGCKRJAO-UHFFFAOYSA-N -1 0 210.620 2.019 20 0 BEADRM CC[C@H](NC(=O)c1coc2ccccc12)C(=O)[O-] ZINC000070390534 359052263 /nfs/dbraw/zinc/05/22/63/359052263.db2.gz KPRVDMLPADRYCI-JTQLQIEISA-N -1 0 247.250 2.026 20 0 BEADRM CC[C@H](Sc1ccnc(C)c1)C(=O)[O-] ZINC000162518606 359488377 /nfs/dbraw/zinc/48/83/77/359488377.db2.gz PQNJDDWCOXMAOF-VIFPVBQESA-N -1 0 211.286 2.345 20 0 BEADRM C[C@@H](CC1CCC1)N=c1[n-]nc(C2CC2)o1 ZINC000631517776 360075344 /nfs/dbraw/zinc/07/53/44/360075344.db2.gz GABJMSXXLRCAFZ-QMMMGPOBSA-N -1 0 221.304 2.360 20 0 BEADRM Cc1nc(=N[C@H](C)CC2CCC2)s[n-]1 ZINC000631518179 360142515 /nfs/dbraw/zinc/14/25/15/360142515.db2.gz OEDMWUOYHMAPLX-SSDOTTSWSA-N -1 0 211.334 2.259 20 0 BEADRM C[C@@H](C(=O)[O-])N1CC(C)(C)c2ccccc21 ZINC000309392410 491147899 /nfs/dbraw/zinc/14/78/99/491147899.db2.gz UPWYLFIKOMAWOG-VIFPVBQESA-N -1 0 219.284 2.257 20 0 BEADRM O=C(Nc1ccncc1O)C1CCC2(CC2)CC1 ZINC000613087116 360348676 /nfs/dbraw/zinc/34/86/76/360348676.db2.gz UJLIECDUIZDULT-UHFFFAOYSA-N -1 0 246.310 2.118 20 0 BEADRM C[C@H]1C[C@@H]1CSc1n[n-]c(=NC2CC2)s1 ZINC000629105890 360879919 /nfs/dbraw/zinc/87/99/19/360879919.db2.gz UZZBQSJRIJKMJQ-NKWVEPMBSA-N -1 0 241.385 2.282 20 0 BEADRM 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229.320 2.038 20 0 BEADRM CC[C@@H]1CCCC[C@H]1C(=O)N(C)CCC(=O)[O-] ZINC000630137346 363969036 /nfs/dbraw/zinc/96/90/36/363969036.db2.gz QXOBBJPGIPDUOZ-GHMZBOCLSA-N -1 0 241.331 2.136 20 0 BEADRM CCN(C(=O)C[C@H](C)CC(=O)[O-])[C@@H](C)C(C)C ZINC000630290008 364047855 /nfs/dbraw/zinc/04/78/55/364047855.db2.gz QEDODNYFXPEWLT-QWRGUYRKSA-N -1 0 243.347 2.380 20 0 BEADRM CCC1(NC(=O)c2cc(C)cc(C(=O)[O-])c2)CC1 ZINC000630301949 364050682 /nfs/dbraw/zinc/05/06/82/364050682.db2.gz UREUKURQBRQCRL-UHFFFAOYSA-N -1 0 247.294 2.366 20 0 BEADRM CC[C@@](C)(NC(=O)CCCCC(=O)[O-])C1CC1 ZINC000630317350 364057860 /nfs/dbraw/zinc/05/78/60/364057860.db2.gz RSZQIDJSFQDZTG-CYBMUJFWSA-N -1 0 241.331 2.326 20 0 BEADRM Cc1cc(NC(=O)C[C@H](C)CC(=O)[O-])cs1 ZINC000630342499 364064748 /nfs/dbraw/zinc/06/47/48/364064748.db2.gz VAVGGBOMQDMYAW-ZETCQYMHSA-N -1 0 241.312 2.496 20 0 BEADRM C[C@@H]1CC(C)(C)CN1c1ncc(C(=O)[O-])s1 ZINC000630459128 364171651 /nfs/dbraw/zinc/17/16/51/364171651.db2.gz ZXTZMLTZODCKTL-SSDOTTSWSA-N -1 0 240.328 2.466 20 0 BEADRM C[C@H](CC1CCC1)Nc1ncc(C(=O)[O-])cn1 ZINC000630462724 364172668 /nfs/dbraw/zinc/17/26/68/364172668.db2.gz FNBYSRYPNBCRBD-MRVPVSSYSA-N -1 0 235.287 2.165 20 0 BEADRM CC(C)(F)CNc1ncc(C(=O)[O-])s1 ZINC000630462854 364174178 /nfs/dbraw/zinc/17/41/78/364174178.db2.gz YKJOSXHKJBVBLS-UHFFFAOYSA-N -1 0 218.253 2.001 20 0 BEADRM CC(C)Cc1nc(=NC(=O)C(C)(C)C)s[n-]1 ZINC000622164015 370745242 /nfs/dbraw/zinc/74/52/42/370745242.db2.gz SPZSKNHNZDNNHZ-UHFFFAOYSA-N -1 0 241.360 2.143 20 0 BEADRM CC[C@H](C)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000133849503 364373213 /nfs/dbraw/zinc/37/32/13/364373213.db2.gz OEJLLSBTAFRANW-CBAPKCEASA-N -1 0 241.312 2.036 20 0 BEADRM CCc1n[n-]c(=NCc2ccsc2Cl)o1 ZINC000453054427 202693457 /nfs/dbraw/zinc/69/34/57/202693457.db2.gz WTQYWLNSPNVODR-UHFFFAOYSA-N -1 0 243.719 2.381 20 0 BEADRM CSCC[N@H+](C)Cc1ccccc1C(=O)[O-] ZINC000167576940 364796465 /nfs/dbraw/zinc/79/64/65/364796465.db2.gz OTTIXCJQNJSJAN-UHFFFAOYSA-N -1 0 239.340 2.180 20 0 BEADRM 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Cc1sc(/C=C\c2cncnc2)nc1C(=O)[O-] ZINC000352036191 134045571 /nfs/dbraw/zinc/04/55/71/134045571.db2.gz XNISSNKPXBKGBH-IHWYPQMZSA-N -1 0 247.279 2.110 20 0 BEADRM CSCCCCNc1cccc(C(=O)[O-])n1 ZINC000229289841 134443875 /nfs/dbraw/zinc/44/38/75/134443875.db2.gz WWRDPWNQFJNMSL-UHFFFAOYSA-N -1 0 240.328 2.335 20 0 BEADRM C[C@H]1CCCCCN1C(=O)CCCCC(=O)[O-] ZINC000070408766 134917081 /nfs/dbraw/zinc/91/70/81/134917081.db2.gz QVYOEHOMFIMVJS-NSHDSACASA-N -1 0 241.331 2.423 20 0 BEADRM C[C@@H](CC(=O)N[C@@H](C)[C@H](C)C(=O)[O-])C(C)(C)C ZINC000252866517 135114317 /nfs/dbraw/zinc/11/43/17/135114317.db2.gz QINPBSBMSBGNQO-GUBZILKMSA-N -1 0 243.347 2.284 20 0 BEADRM CC(C)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000257678180 135139075 /nfs/dbraw/zinc/13/90/75/135139075.db2.gz KIGVDEIFRXVDEF-LLVKDONJSA-N -1 0 241.331 2.182 20 0 BEADRM O=C(N[C@@H]1C[C@H]1Cc1ccccc1)C(F)(F)F ZINC000265999152 135146976 /nfs/dbraw/zinc/14/69/76/135146976.db2.gz RPOAPQOZFGIDIY-NXEZZACHSA-N -1 0 243.228 2.296 20 0 BEADRM CCCN(CC(=O)[O-])c1ccc(Cl)cn1 ZINC000261532218 135162852 /nfs/dbraw/zinc/16/28/52/135162852.db2.gz JRDSUOGMZDAUQB-UHFFFAOYSA-N -1 0 228.679 2.036 20 0 BEADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCC(C)(C)C ZINC000261537733 135174544 /nfs/dbraw/zinc/17/45/44/135174544.db2.gz UFZXTZDTIHDJPP-UWVGGRQHSA-N -1 0 241.331 2.134 20 0 BEADRM CCCC(C)(C)NC(=O)CC1(C(=O)[O-])CCC1 ZINC000261548576 135187858 /nfs/dbraw/zinc/18/78/58/135187858.db2.gz JRPKMSNCAJNMSG-UHFFFAOYSA-N -1 0 241.331 2.326 20 0 BEADRM CCCC[C@@H](C)C(=O)N(C)CCCC(=O)[O-] ZINC000261577650 135218892 /nfs/dbraw/zinc/21/88/92/135218892.db2.gz LGTLIUFTCPQEDZ-SNVBAGLBSA-N -1 0 229.320 2.136 20 0 BEADRM CCCC[C@@H](C)C(=O)N[C@H](CCC)C(=O)[O-] ZINC000261584530 135226134 /nfs/dbraw/zinc/22/61/34/135226134.db2.gz PXGUKHAFMCRUEH-NXEZZACHSA-N -1 0 229.320 2.182 20 0 BEADRM CC(C)(C)CC(=O)NCCC(C)(C)C(=O)[O-] ZINC000261596374 135235718 /nfs/dbraw/zinc/23/57/18/135235718.db2.gz YUOYSGLNQHFABJ-UHFFFAOYSA-N -1 0 229.320 2.040 20 0 BEADRM CCCC[C@@H](C)C(=O)NC1(CC(=O)[O-])CCC1 ZINC000261545988 135238221 /nfs/dbraw/zinc/23/82/21/135238221.db2.gz GOXQHYWRANAGFO-SNVBAGLBSA-N -1 0 241.331 2.326 20 0 BEADRM CCC[C@@H](C)N(C)C(=O)CC1(C(=O)[O-])CCC1 ZINC000261548055 135241745 /nfs/dbraw/zinc/24/17/45/135241745.db2.gz JAJYZNOXANUMTP-SNVBAGLBSA-N -1 0 241.331 2.278 20 0 BEADRM CCc1oc(C(=O)N[C@@H](C)CC)cc1C(=O)[O-] ZINC000261660659 135243514 /nfs/dbraw/zinc/24/35/14/135243514.db2.gz NWEIEHGIJJVXQU-ZETCQYMHSA-N -1 0 239.271 2.069 20 0 BEADRM CCc1oc(C(=O)N[C@H](C)CC)cc1C(=O)[O-] ZINC000261660657 135243814 /nfs/dbraw/zinc/24/38/14/135243814.db2.gz NWEIEHGIJJVXQU-SSDOTTSWSA-N -1 0 239.271 2.069 20 0 BEADRM C[C@@]1(C(=O)[O-])CCN(c2ncccc2Cl)C1 ZINC000261699162 135247023 /nfs/dbraw/zinc/24/70/23/135247023.db2.gz JNPWUPRSEIAZJO-LLVKDONJSA-N -1 0 240.690 2.036 20 0 BEADRM Cc1ccc(CC[C@H](C)N=c2[n-]nc(C)o2)o1 ZINC000342299689 135257130 /nfs/dbraw/zinc/25/71/30/135257130.db2.gz XKXZPGKBPBVZFD-QMMMGPOBSA-N -1 0 235.287 2.135 20 0 BEADRM Cc1n[n-]c(=NCC(C)(C)Oc2ccccc2)o1 ZINC000342407916 135272607 /nfs/dbraw/zinc/27/26/07/135272607.db2.gz MTWBAHRXOOFGLL-UHFFFAOYSA-N -1 0 247.298 2.069 20 0 BEADRM CC(C)C[C@@H](C)CC(=O)NC[C@@H](C)CC(=O)[O-] ZINC000262161869 135282950 /nfs/dbraw/zinc/28/29/50/135282950.db2.gz NLHIPYGHKJYDLK-MNOVXSKESA-N -1 0 243.347 2.286 20 0 BEADRM CC(C)(C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262159634 135283329 /nfs/dbraw/zinc/28/33/29/135283329.db2.gz KIIWSUKODHAAJY-UHFFFAOYSA-N -1 0 249.310 2.232 20 0 BEADRM CC[C@@H](NC(=O)[C@@H]1CC[C@@H](CC)CC1)C(=O)[O-] ZINC000262272320 135288776 /nfs/dbraw/zinc/28/87/76/135288776.db2.gz SOMDKYJPDCQVQG-GMTAPVOTSA-N -1 0 241.331 2.182 20 0 BEADRM C[C@@H](CNC(=O)CCCC(C)(C)C)CC(=O)[O-] ZINC000262268900 135288925 /nfs/dbraw/zinc/28/89/25/135288925.db2.gz VXNZIUVDSZWQGG-SNVBAGLBSA-N -1 0 243.347 2.430 20 0 BEADRM CC(C)(CCNc1cnc(C(=O)[O-])cn1)C1CC1 ZINC000262298579 135291160 /nfs/dbraw/zinc/29/11/60/135291160.db2.gz XEIMXULICFSHRB-UHFFFAOYSA-N -1 0 249.314 2.413 20 0 BEADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)[C@@H](C)CC ZINC000262751040 135316456 /nfs/dbraw/zinc/31/64/56/135316456.db2.gz ITLCNQZAUXENLE-AXFHLTTASA-N -1 0 243.347 2.380 20 0 BEADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)CCC(=O)[O-] ZINC000262817374 135320231 /nfs/dbraw/zinc/32/02/31/135320231.db2.gz PCWZLDOBZKPLTR-GHMZBOCLSA-N -1 0 241.331 2.278 20 0 BEADRM CC(C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000262833011 135320498 /nfs/dbraw/zinc/32/04/98/135320498.db2.gz BTKDCYYEDLTTTB-VIFPVBQESA-N -1 0 235.283 2.469 20 0 BEADRM CC[C@H](C)C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000262841618 135320681 /nfs/dbraw/zinc/32/06/81/135320681.db2.gz SFJNKLBSZHEAKX-KWBADKCTSA-N -1 0 241.331 2.182 20 0 BEADRM CC[C@H](C)[C@@H](C)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000262899148 135323347 /nfs/dbraw/zinc/32/33/47/135323347.db2.gz IPEWAIPSMQOZRC-AXFHLTTASA-N -1 0 241.331 2.134 20 0 BEADRM Cc1cc(=NC(=O)[C@@H](C)C(C)(C)C)[n-]nc1C ZINC000334168408 135324497 /nfs/dbraw/zinc/32/44/97/135324497.db2.gz AXGHVNMZZQQERI-SECBINFHSA-N -1 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ZINC000263353474 135349198 /nfs/dbraw/zinc/34/91/98/135349198.db2.gz QOPJLDZKLPTBHI-UHFFFAOYSA-N -1 0 242.225 2.237 20 0 BEADRM Cc1cscc1NC(=O)NCCCC(=O)[O-] ZINC000263363836 135349806 /nfs/dbraw/zinc/34/98/06/135349806.db2.gz VJKNHXGPPOPLIT-UHFFFAOYSA-N -1 0 242.300 2.043 20 0 BEADRM O=C([O-])c1cccc(N[C@H]2CC[C@@H](F)C2)n1 ZINC000263375530 135350266 /nfs/dbraw/zinc/35/02/66/135350266.db2.gz BJFGKACPMSUZPS-SFYZADRCSA-N -1 0 224.235 2.082 20 0 BEADRM CCC(CC)[C@H](C)C(=O)N[C@H](C)[C@H](C)C(=O)[O-] ZINC000263382146 135350557 /nfs/dbraw/zinc/35/05/57/135350557.db2.gz BMSLEIQEUHEOPO-LPEHRKFASA-N -1 0 243.347 2.284 20 0 BEADRM O=C([O-])CCCNc1ccncc1Cl ZINC000263381909 135350735 /nfs/dbraw/zinc/35/07/35/135350735.db2.gz CUHKATBLNGWVSO-UHFFFAOYSA-N -1 0 214.652 2.012 20 0 BEADRM CC[C@H](CC(=O)N[C@H](C)[C@@H](C)C(=O)[O-])C(C)C ZINC000263392895 135350931 /nfs/dbraw/zinc/35/09/31/135350931.db2.gz DBAZHLAMZCKOOQ-GMTAPVOTSA-N -1 0 243.347 2.284 20 0 BEADRM CCC[C@H](C)CC(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000263407412 135352337 /nfs/dbraw/zinc/35/23/37/135352337.db2.gz GIFNYTGLEJGGLQ-IVZWLZJFSA-N -1 0 229.320 2.038 20 0 BEADRM O=C([O-])c1cccc(N[C@@H]2CCC[C@@H]2F)n1 ZINC000263431440 135353507 /nfs/dbraw/zinc/35/35/07/135353507.db2.gz SWWWEJWAARGBHE-JGVFFNPUSA-N -1 0 224.235 2.082 20 0 BEADRM CCC(CC)[C@@H](C)C(=O)NCC1(C(=O)[O-])CC1 ZINC000263461033 135356060 /nfs/dbraw/zinc/35/60/60/135356060.db2.gz QAIBYNSXKSHRRA-SECBINFHSA-N -1 0 241.331 2.040 20 0 BEADRM CCC[C@H](C(=O)N[C@H](C)[C@H](C)C(=O)[O-])C(C)C ZINC000263533309 135358110 /nfs/dbraw/zinc/35/81/10/135358110.db2.gz NLFLANHKTOUSEF-AXFHLTTASA-N -1 0 243.347 2.284 20 0 BEADRM CCCC[C@H](Nc1ccnc(C2CC2)n1)C(=O)[O-] ZINC000263541340 135358757 /nfs/dbraw/zinc/35/87/57/135358757.db2.gz CZVBSDNBUDCENN-JTQLQIEISA-N -1 0 249.314 2.409 20 0 BEADRM CCCC[C@H](Nc1ccc(F)cn1)C(=O)[O-] ZINC000263553590 135360136 /nfs/dbraw/zinc/36/01/36/135360136.db2.gz MRXIVPVJHYTTRL-VIFPVBQESA-N -1 0 226.251 2.276 20 0 BEADRM 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/nfs/dbraw/zinc/79/58/73/586795873.db2.gz UIMJFMVIYXHKPR-CYBMUJFWSA-N -1 0 248.326 2.279 20 0 BEADRM CC(C)[C@H](C(=O)[N-]OCC1CC1)c1cccnc1 ZINC000817331132 586795939 /nfs/dbraw/zinc/79/59/39/586795939.db2.gz UIMJFMVIYXHKPR-ZDUSSCGKSA-N -1 0 248.326 2.279 20 0 BEADRM C[C@H](C(=O)[N-]OCCC1CC1)C(F)(F)F ZINC000817379285 586799631 /nfs/dbraw/zinc/79/96/31/586799631.db2.gz LWYUPUSAOKKSKT-ZCFIWIBFSA-N -1 0 225.210 2.033 20 0 BEADRM O=C([N-]OCCC1CC1)C1(C(F)(F)F)CC1 ZINC000817383178 586800073 /nfs/dbraw/zinc/80/00/73/586800073.db2.gz GKCBLJKVUYBGOL-UHFFFAOYSA-N -1 0 237.221 2.177 20 0 BEADRM CO[C@H](C(=O)[N-]OCCC1CC1)c1ccccc1 ZINC000817393410 586800732 /nfs/dbraw/zinc/80/07/32/586800732.db2.gz PTLKSZURTMCQTJ-ZDUSSCGKSA-N -1 0 249.310 2.222 20 0 BEADRM O=C(COC1CCCCC1)[N-]OCCC1CC1 ZINC000817429803 586804994 /nfs/dbraw/zinc/80/49/94/586804994.db2.gz IDPMXAICJRBYMP-UHFFFAOYSA-N -1 0 241.331 2.184 20 0 BEADRM C[C@]1(C(=O)[N-]OCCC(F)(F)F)CC1(F)F ZINC000817594146 586813254 /nfs/dbraw/zinc/81/32/54/586813254.db2.gz SLIKRAWNZYAGSI-ZCFIWIBFSA-N -1 0 247.163 2.032 20 0 BEADRM C[C@@]1(C(=O)[N-]OC2CCCCC2)CC1(F)F ZINC000817594143 586813374 /nfs/dbraw/zinc/81/33/74/586813374.db2.gz SKHKTGCIBZVXAL-JTQLQIEISA-N -1 0 233.258 2.412 20 0 BEADRM C/C(=C/C(=O)N(C)CCC(=O)[O-])c1ccccc1 ZINC000817689925 586817993 /nfs/dbraw/zinc/81/79/93/586817993.db2.gz HDPVVVCKEMELMO-KHPPLWFESA-N -1 0 247.294 2.023 20 0 BEADRM C/C(=C/C(=O)N(C)[C@H](C)C(=O)[O-])c1ccccc1 ZINC000817690323 586818028 /nfs/dbraw/zinc/81/80/28/586818028.db2.gz WVXSWJWXWSDBJF-DWOQACPDSA-N -1 0 247.294 2.021 20 0 BEADRM CC(C)=C(C)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000817847281 586830654 /nfs/dbraw/zinc/83/06/54/586830654.db2.gz BGLYIOFYSZKRPI-LLVKDONJSA-N -1 0 239.315 2.056 20 0 BEADRM CC1(C(=O)OCc2ccc(C(=O)[O-])cc2)CC1 ZINC000818075837 586869809 /nfs/dbraw/zinc/86/98/09/586869809.db2.gz OSXGDRKDRYSPLW-UHFFFAOYSA-N -1 0 234.251 2.228 20 0 BEADRM C/C=C\C[S@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818120789 586875385 /nfs/dbraw/zinc/87/53/85/586875385.db2.gz QKVIJEDSMQVGGC-YPQKKHBXSA-N -1 0 238.308 2.210 20 0 BEADRM CCCC[C@@H](C)C(=O)NC1=NC[C@@H](C)S1 ZINC000819777140 586992784 /nfs/dbraw/zinc/99/27/84/586992784.db2.gz HRTIMDYYWPYXCW-RKDXNWHRSA-N -1 0 228.361 2.420 20 0 BEADRM C[C@H](C(=O)[O-])N(C)Cc1cscc1Cl ZINC000819896371 587001606 /nfs/dbraw/zinc/00/16/06/587001606.db2.gz YYABLAOYCSMVTE-ZCFIWIBFSA-N -1 0 233.720 2.306 20 0 BEADRM CC(C)[C@@H]1CCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000819962232 587007969 /nfs/dbraw/zinc/00/79/69/587007969.db2.gz MHDHIUICRJTEIL-LBPRGKRZSA-N -1 0 247.294 2.255 20 0 BEADRM C[C@H](OC(=O)C1(Cc2ccccc2)CC1)C(=O)[O-] ZINC000820166052 587030943 /nfs/dbraw/zinc/03/09/43/587030943.db2.gz OJFCGQGZDTTZJO-JTQLQIEISA-N -1 0 248.278 2.026 20 0 BEADRM C[C@H](OC(=O)CCCc1ccsc1)C(=O)[O-] ZINC000820173064 587031630 /nfs/dbraw/zinc/03/16/30/587031630.db2.gz QTAXBEMOBKGLAR-QMMMGPOBSA-N -1 0 242.296 2.087 20 0 BEADRM CCC(CC)(CC)C(=O)O[C@H](C)C(=O)[O-] ZINC000820272455 587039763 /nfs/dbraw/zinc/03/97/63/587039763.db2.gz CKCYUMRMYJWICH-MRVPVSSYSA-N -1 0 216.277 2.219 20 0 BEADRM CC[C@@H](C)CONC(=O)c1cccc(F)c1[O-] ZINC000820278946 587040238 /nfs/dbraw/zinc/04/02/38/587040238.db2.gz GPLABXWZRVSWPZ-MRVPVSSYSA-N -1 0 241.262 2.239 20 0 BEADRM CCOc1cccc(CS[C@@H](C)C(=O)[O-])n1 ZINC000820391723 587045574 /nfs/dbraw/zinc/04/55/74/587045574.db2.gz IVVCNBKUIZFIBN-QMMMGPOBSA-N -1 0 241.312 2.187 20 0 BEADRM CC[C@@H](NCc1ncc(C(C)C)s1)C(=O)[O-] ZINC000820419280 587047586 /nfs/dbraw/zinc/04/75/86/587047586.db2.gz UFOHFFIZWAWXHY-MRVPVSSYSA-N -1 0 242.344 2.219 20 0 BEADRM CC[C@@H](N[C@@H](C)c1nc(C)sc1C)C(=O)[O-] ZINC000820418734 587047666 /nfs/dbraw/zinc/04/76/66/587047666.db2.gz CTQDGGRUNSQYAW-IMTBSYHQSA-N -1 0 242.344 2.274 20 0 BEADRM CC[C@H](C)[C@H](NCc1csc(C)n1)C(=O)[O-] ZINC000820465517 587050277 /nfs/dbraw/zinc/05/02/77/587050277.db2.gz KAHHWMOPTMXIMN-XVKPBYJWSA-N -1 0 242.344 2.040 20 0 BEADRM CCc1cc(C(=O)O[C@@H](C)C(=O)[O-])oc1CC ZINC000820474115 587050650 /nfs/dbraw/zinc/05/06/50/587050650.db2.gz MNMMQUCSUCNVOH-ZETCQYMHSA-N -1 0 240.255 2.034 20 0 BEADRM CCc1ccc(N[C@H](C)C(=O)[O-])cc1F ZINC000820479821 587050911 /nfs/dbraw/zinc/05/09/11/587050911.db2.gz CDDVYRCCNNWZMN-SSDOTTSWSA-N -1 0 211.236 2.273 20 0 BEADRM CN(C)c1ccccc1N(C)CCCC(=O)[O-] ZINC000820547831 587053617 /nfs/dbraw/zinc/05/36/17/587053617.db2.gz GJMIQRQKVNRHRU-UHFFFAOYSA-N -1 0 236.315 2.054 20 0 BEADRM CC[C@H](C)[C@@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC000820862641 587078016 /nfs/dbraw/zinc/07/80/16/587078016.db2.gz QVXZRRKTHUMGCO-DTWKUNHWSA-N -1 0 246.318 2.108 20 0 BEADRM CCC1(NC(=O)c2cc(F)cc(F)c2[O-])CC1 ZINC000821106143 587096207 /nfs/dbraw/zinc/09/62/07/587096207.db2.gz WLIDYMKEOZHPKR-UHFFFAOYSA-N -1 0 241.237 2.343 20 0 BEADRM Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H](C)CC(=O)[O-] ZINC000821103884 587096345 /nfs/dbraw/zinc/09/63/45/587096345.db2.gz TUUWWNOVSMRLEV-BXKDBHETSA-N -1 0 249.310 2.190 20 0 BEADRM Cc1nc2cc(N[C@H](C)C(=O)[O-])ccc2s1 ZINC000821181479 587100179 /nfs/dbraw/zinc/10/01/79/587100179.db2.gz GRIJLLUPNQRLJC-ZCFIWIBFSA-N -1 0 236.296 2.490 20 0 BEADRM O=C([O-])CCCOC(=O)C(F)=C1CCCC1 ZINC000821526134 587126230 /nfs/dbraw/zinc/12/62/30/587126230.db2.gz WJTQVPVKVVCPMO-UHFFFAOYSA-N -1 0 230.235 2.192 20 0 BEADRM Cc1c(NCC(C)C)cccc1-c1nn[nH]n1 ZINC000822121366 587154871 /nfs/dbraw/zinc/15/48/71/587154871.db2.gz FRZRYYHLKHQBOH-UHFFFAOYSA-N -1 0 231.303 2.243 20 0 BEADRM CCC1CN(C(=O)c2cccc(F)c2[O-])C1 ZINC000822307303 587161262 /nfs/dbraw/zinc/16/12/62/587161262.db2.gz WZRQSMSPFIQWDN-UHFFFAOYSA-N -1 0 223.247 2.013 20 0 BEADRM C[C@H](C(=O)OCCCNC(=O)[O-])C1CCCC1 ZINC000823730481 587238181 /nfs/dbraw/zinc/23/81/81/587238181.db2.gz AOTQJWIWJDAKTR-VIFPVBQESA-N -1 0 243.303 2.014 20 0 BEADRM CCC/C(C)=C/C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000823842850 587242169 /nfs/dbraw/zinc/24/21/69/587242169.db2.gz RXLYWDXXAUBBMD-FROQITRMSA-N -1 0 239.315 2.056 20 0 BEADRM CC(C)=C(C)C(=O)OC[C@H]1CCCN1C(=O)[O-] ZINC000824038276 587250557 /nfs/dbraw/zinc/25/05/57/587250557.db2.gz AWTNAQKWZUVSAK-SNVBAGLBSA-N -1 0 241.287 2.028 20 0 BEADRM CCCO[N-]C(=O)Cc1csc(C2CC2)n1 ZINC000824041431 587251032 /nfs/dbraw/zinc/25/10/32/587251032.db2.gz MMAFWAHFXVOQCT-UHFFFAOYSA-N -1 0 240.328 2.021 20 0 BEADRM CC(C)C(=O)O[C@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000824049171 587251729 /nfs/dbraw/zinc/25/17/29/587251729.db2.gz GPNSLGNJKFRGBQ-UWVGGRQHSA-N -1 0 243.303 2.012 20 0 BEADRM CC(C)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000824049795 587251955 /nfs/dbraw/zinc/25/19/55/587251955.db2.gz NQHKTBWKAQRZMS-UHFFFAOYSA-N -1 0 248.282 2.322 20 0 BEADRM CC(C)[C@H](C)OC(=O)CC1(NC(=O)[O-])CCC1 ZINC000824071296 587253478 /nfs/dbraw/zinc/25/34/78/587253478.db2.gz JMXJSCONCKMHMJ-VIFPVBQESA-N -1 0 243.303 2.155 20 0 BEADRM CC(C)[C@@H](C)OC(=O)CC1(NC(=O)[O-])CCC1 ZINC000824071294 587253704 /nfs/dbraw/zinc/25/37/04/587253704.db2.gz JMXJSCONCKMHMJ-SECBINFHSA-N -1 0 243.303 2.155 20 0 BEADRM CC(C)[C@@H](NC(=O)[O-])C(=O)O[C@H](C)C1CCC1 ZINC000824143480 587258113 /nfs/dbraw/zinc/25/81/13/587258113.db2.gz MSAFYSMRYUYPEF-PSASIEDQSA-N -1 0 243.303 2.010 20 0 BEADRM CC(C)CC(=O)O[C@H](C)[C@@H]1CCCN1C(=O)[O-] ZINC000824170694 587259265 /nfs/dbraw/zinc/25/92/65/587259265.db2.gz QYUZZNMQPGOLNZ-ZJUUUORDSA-N -1 0 243.303 2.107 20 0 BEADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)OCC1CCC1 ZINC000824218693 587260767 /nfs/dbraw/zinc/26/07/67/587260767.db2.gz OTMYOFDXDCGUJL-SNVBAGLBSA-N -1 0 243.303 2.012 20 0 BEADRM C[C@H](COC(=O)CC1=CCCCC1)NC(=O)[O-] ZINC000824986068 587297350 /nfs/dbraw/zinc/29/73/50/587297350.db2.gz DIODMNKCKSKBMD-SECBINFHSA-N -1 0 241.287 2.076 20 0 BEADRM C[C@@H](COC(=O)CC1CCCCC1)NC(=O)[O-] ZINC000824985747 587297398 /nfs/dbraw/zinc/29/73/98/587297398.db2.gz ALQWGEVQMFMKII-VIFPVBQESA-N -1 0 243.303 2.156 20 0 BEADRM CCCC[C@](C)(F)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000825027023 587299404 /nfs/dbraw/zinc/29/94/04/587299404.db2.gz SJQIFXQEICRDCM-PWSUYJOCSA-N -1 0 247.310 2.479 20 0 BEADRM C[C@H](NC(=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000825372946 587317412 /nfs/dbraw/zinc/31/74/12/587317412.db2.gz UCSKVEWUQJPDSI-LAEOZQHASA-N -1 0 221.256 2.207 20 0 BEADRM C[C@@H](NC(=O)[O-])c1ccccc1-n1cccn1 ZINC000825453273 587319802 /nfs/dbraw/zinc/31/98/02/587319802.db2.gz HIIAYXSPIAWLDB-SECBINFHSA-N -1 0 231.255 2.201 20 0 BEADRM C[C@H](NC(=O)[O-])c1noc(-c2ccccc2)n1 ZINC000825453932 587320075 /nfs/dbraw/zinc/32/00/75/587320075.db2.gz NZRFOTKQFODNMJ-ZETCQYMHSA-N -1 0 233.227 2.065 20 0 BEADRM C[C@H](OC(=O)C1(NC(=O)[O-])CC1)c1ccccc1 ZINC000825543856 587324384 /nfs/dbraw/zinc/32/43/84/587324384.db2.gz HRVGPUGMHPSXRU-VIFPVBQESA-N -1 0 249.266 2.091 20 0 BEADRM C[C@@H](OC(=O)CC(C)(C)NC(=O)[O-])C1CCC1 ZINC000825570765 587325847 /nfs/dbraw/zinc/32/58/47/587325847.db2.gz KWBTYINBRNHVHZ-MRVPVSSYSA-N -1 0 243.303 2.155 20 0 BEADRM CC1(C(=O)Oc2cccc(CNC(=O)[O-])c2)CC1 ZINC000825690710 587332461 /nfs/dbraw/zinc/33/24/61/587332461.db2.gz MFWNRNJLLJUALW-UHFFFAOYSA-N -1 0 249.266 2.160 20 0 BEADRM C/C(=C\CN1c2ccccc2OC[C@@H]1C)C(=O)[O-] ZINC000825747664 587336504 /nfs/dbraw/zinc/33/65/04/587336504.db2.gz WMSGWGKCYMJPHO-HUYFXPKMSA-N -1 0 247.294 2.305 20 0 BEADRM C/C(=C/COC(=O)CCC1CCC1)C(=O)[O-] ZINC000825758512 587337403 /nfs/dbraw/zinc/33/74/03/587337403.db2.gz KOUHBYXANWZGQW-CLFYSBASSA-N -1 0 226.272 2.141 20 0 BEADRM C/C(=C/COC(=O)[C@H](C)C1CCCC1)C(=O)[O-] ZINC000825753490 587337485 /nfs/dbraw/zinc/33/74/85/587337485.db2.gz SPSGUDNDGVRTNW-UJICNMFASA-N -1 0 240.299 2.387 20 0 BEADRM C/C(=C/COC(=O)/C=C\c1ccccc1)C(=O)[O-] ZINC000825758966 587337786 /nfs/dbraw/zinc/33/77/86/587337786.db2.gz SYPZZXHILLTOOF-JCBKOVKPSA-N -1 0 246.262 2.274 20 0 BEADRM C/C(=C/COC(=O)c1ccc(C)c(C)c1)C(=O)[O-] ZINC000825775230 587338205 /nfs/dbraw/zinc/33/82/05/587338205.db2.gz MWWXYJDZKHHDOM-POHAHGRESA-N -1 0 248.278 2.491 20 0 BEADRM C/C(=C/COC(=O)CCc1ccccc1)C(=O)[O-] ZINC000825765546 587338255 /nfs/dbraw/zinc/33/82/55/587338255.db2.gz SIKWQMMDXWIKJX-LUAWRHEFSA-N -1 0 248.278 2.193 20 0 BEADRM CC(=O)[C@H](C)SCc1cc(C(=O)[O-])oc1C ZINC000825809258 587338372 /nfs/dbraw/zinc/33/83/72/587338372.db2.gz PRVFPUJINCBKSX-QMMMGPOBSA-N -1 0 242.296 2.497 20 0 BEADRM C[C@H](NC(=O)[O-])C(=O)OC1C[C@@H](C)C[C@H](C)C1 ZINC000825783814 587338842 /nfs/dbraw/zinc/33/88/42/587338842.db2.gz PFXKQVKXZKLGGT-CIUDSAMLSA-N -1 0 243.303 2.010 20 0 BEADRM C/C(=C\COC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000825775620 587338938 /nfs/dbraw/zinc/33/89/38/587338938.db2.gz WLBSKXVFVPENDX-JXMROGBWSA-N -1 0 234.251 2.183 20 0 BEADRM CC1CC(NC(=O)c2ccc(NC(=O)[O-])cc2)C1 ZINC000825851468 587341266 /nfs/dbraw/zinc/34/12/66/587341266.db2.gz HUVIDZNOMITHET-UHFFFAOYSA-N -1 0 248.282 2.305 20 0 BEADRM C[C@H]1C[C@H]1C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000825853058 587341673 /nfs/dbraw/zinc/34/16/73/587341673.db2.gz SYVALCPLGZCZMC-GZMMTYOYSA-N -1 0 249.266 2.362 20 0 BEADRM C[C@H](COC(=O)[C@H]1CCC[C@@H](C)C1)NC(=O)[O-] ZINC000825880727 587344029 /nfs/dbraw/zinc/34/40/29/587344029.db2.gz PPEZMEBNGYCIQE-BBBLOLIVSA-N -1 0 243.303 2.012 20 0 BEADRM CC(=O)c1ccccc1OC/C=C(\C)C(=O)[O-] ZINC000825964892 587347047 /nfs/dbraw/zinc/34/70/47/587347047.db2.gz XFCUWYMKUIEFPA-VQHVLOKHSA-N -1 0 234.251 2.299 20 0 BEADRM CC(=O)c1ccccc1OC/C=C(/C)C(=O)[O-] ZINC000825964889 587347049 /nfs/dbraw/zinc/34/70/49/587347049.db2.gz XFCUWYMKUIEFPA-CLFYSBASSA-N -1 0 234.251 2.299 20 0 BEADRM C[C@@H](C(=O)OCc1occc1C(=O)[O-])C1CC1 ZINC000826071057 587350162 /nfs/dbraw/zinc/35/01/62/587350162.db2.gz HLYWERVIXLPFHN-SSDOTTSWSA-N -1 0 238.239 2.067 20 0 BEADRM C[C@@H](C(=O)Oc1ccccc1CC(=O)[O-])C1CC1 ZINC000826072400 587350282 /nfs/dbraw/zinc/35/02/82/587350282.db2.gz WUBLEQWVRYGWRO-SECBINFHSA-N -1 0 248.278 2.265 20 0 BEADRM C[C@H](C(=O)Oc1ccc(CC(=O)[O-])cc1)C1CC1 ZINC000826072100 587350341 /nfs/dbraw/zinc/35/03/41/587350341.db2.gz SSQMQWDBYKYFNZ-VIFPVBQESA-N -1 0 248.278 2.265 20 0 BEADRM CCC(CC)OC(=O)C1CCN(C(=O)[O-])CC1 ZINC000826576720 587355576 /nfs/dbraw/zinc/35/55/76/587355576.db2.gz ZIRNWFOGEGCBNE-UHFFFAOYSA-N -1 0 243.303 2.108 20 0 BEADRM CCC(CC)OC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000826575025 587355659 /nfs/dbraw/zinc/35/56/59/587355659.db2.gz DGTPFRBXMCQCBZ-VIFPVBQESA-N -1 0 243.303 2.108 20 0 BEADRM CC(C)=C(C)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000826641502 587357380 /nfs/dbraw/zinc/35/73/80/587357380.db2.gz CILOEDZIJMIEBW-UHFFFAOYSA-N -1 0 240.284 2.136 20 0 BEADRM CC(C)=C(C)C(=O)N(CCC(=O)[O-])CC(C)C ZINC000826642395 587357419 /nfs/dbraw/zinc/35/74/19/587357419.db2.gz XTMNDCXPDJMXGV-UHFFFAOYSA-N -1 0 241.331 2.302 20 0 BEADRM CCC1(C(=O)Nc2ccc(NC(=O)[O-])nc2)CC1 ZINC000826639105 587357504 /nfs/dbraw/zinc/35/75/04/587357504.db2.gz JQRWLLIIQVIFBH-UHFFFAOYSA-N -1 0 249.270 2.300 20 0 BEADRM CCC[C@H](C)OC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000826734402 587360501 /nfs/dbraw/zinc/36/05/01/587360501.db2.gz IACVSOYBYNPQTA-IVZWLZJFSA-N -1 0 243.303 2.155 20 0 BEADRM CCC[C@@H](C)OC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000826736703 587360752 /nfs/dbraw/zinc/36/07/52/587360752.db2.gz VPYWDHLADUVREJ-RKDXNWHRSA-N -1 0 231.292 2.010 20 0 BEADRM CC(C)CC1(C(=O)OCC(=O)[O-])CCCC1 ZINC000826826187 587363451 /nfs/dbraw/zinc/36/34/51/587363451.db2.gz CIVIDEABHDSHQU-UHFFFAOYSA-N -1 0 228.288 2.221 20 0 BEADRM CCCCCOC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000826826048 587363582 /nfs/dbraw/zinc/36/35/82/587363582.db2.gz NXCIBOMTCLHIIW-NXEZZACHSA-N -1 0 243.303 2.156 20 0 BEADRM CC(C)OCCNc1cc(C(=O)[O-])ccc1F ZINC000827030566 587368523 /nfs/dbraw/zinc/36/85/23/587368523.db2.gz ISFPRKMMSDKTBN-UHFFFAOYSA-N -1 0 241.262 2.361 20 0 BEADRM CC(C)c1nccc(NCC(C)(C)C(=O)[O-])n1 ZINC000827163822 587371635 /nfs/dbraw/zinc/37/16/35/587371635.db2.gz ABKUVCNIUDGNGD-UHFFFAOYSA-N -1 0 237.303 2.123 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000827257506 587374420 /nfs/dbraw/zinc/37/44/20/587374420.db2.gz OSGRHWOMNKVHHU-NXEZZACHSA-N -1 0 241.331 2.134 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)NC(C)(C)CC(C)(C)C ZINC000827274653 587375002 /nfs/dbraw/zinc/37/50/02/587375002.db2.gz XSFIYOIBFRQAHL-SECBINFHSA-N -1 0 243.347 2.428 20 0 BEADRM C[C@@H](CC(=O)[O-])C(=O)NCCC1=CCCCC1 ZINC000827293114 587375700 /nfs/dbraw/zinc/37/57/00/587375700.db2.gz VHKZCPNFNOZYSR-JTQLQIEISA-N -1 0 239.315 2.104 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000827293353 587375734 /nfs/dbraw/zinc/37/57/34/587375734.db2.gz WHVAJYJMVGIZCG-MXWKQRLJSA-N -1 0 241.331 2.040 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)OCC1C(C)(C)C1(C)C ZINC000827342334 587377753 /nfs/dbraw/zinc/37/77/53/587377753.db2.gz VCMUNGKJYHUKPP-MRVPVSSYSA-N -1 0 242.315 2.323 20 0 BEADRM CCS[C@H]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000827495863 587383098 /nfs/dbraw/zinc/38/30/98/587383098.db2.gz OCOWCOXSVQBVNF-YUMQZZPRSA-N -1 0 203.307 2.270 20 0 BEADRM CC[C@H](NC(=O)[O-])C(=O)OCCCC(C)C ZINC000827543632 587386491 /nfs/dbraw/zinc/38/64/91/587386491.db2.gz DWOLJNMFHLNMRJ-VIFPVBQESA-N -1 0 231.292 2.012 20 0 BEADRM CCc1nc(-c2cccc(NC(=O)[O-])c2)no1 ZINC000827627133 587393484 /nfs/dbraw/zinc/39/34/84/587393484.db2.gz PUTFHHAKRLFKOB-UHFFFAOYSA-N -1 0 233.227 2.389 20 0 BEADRM C[C@@H](OC(=O)CCCC1CCCC1)C(=O)[O-] ZINC000827833733 587404703 /nfs/dbraw/zinc/40/47/03/587404703.db2.gz NYUIWGXVMVQRGZ-SECBINFHSA-N -1 0 228.288 2.363 20 0 BEADRM C[C@H](SCCCCCCCO)C(=O)[O-] ZINC000827902916 587408861 /nfs/dbraw/zinc/40/88/61/587408861.db2.gz XFAFILWYBRIDHV-VIFPVBQESA-N -1 0 220.334 2.136 20 0 BEADRM CC[C@H](C)CC(=O)N[C@](C)(CC)CC(=O)[O-] ZINC000828095475 587419331 /nfs/dbraw/zinc/41/93/31/587419331.db2.gz PFOYKIMRCIFEOP-JOYOIKCWSA-N -1 0 229.320 2.182 20 0 BEADRM C[C@H]1C[C@H](OC(=O)[C@H]2C[C@H]2C(=O)[O-])C[C@@H](C)C1 ZINC000828162488 587422515 /nfs/dbraw/zinc/42/25/15/587422515.db2.gz WJOKABQRRONAFQ-KJPMQGKISA-N -1 0 240.299 2.075 20 0 BEADRM C[C@H]1C[C@H](OC(=O)[C@H]2C[C@@H]2C(=O)[O-])C[C@@H](C)C1 ZINC000828162487 587422586 /nfs/dbraw/zinc/42/25/86/587422586.db2.gz WJOKABQRRONAFQ-GEVSDDDWSA-N -1 0 240.299 2.075 20 0 BEADRM C[C@H]1C[C@H]1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000828191691 587423468 /nfs/dbraw/zinc/42/34/68/587423468.db2.gz FPWCIPPUSSELNE-POYBYMJQSA-N -1 0 240.280 2.146 20 0 BEADRM CC(C)[C@@H](OC(=O)C[C@H]1CC[C@@H](C)C1)C(=O)[O-] ZINC000828221777 587424957 /nfs/dbraw/zinc/42/49/57/587424957.db2.gz XXDWYVQHSCPDNV-JFGNBEQYSA-N -1 0 242.315 2.465 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)N[C@H]1CC[C@@H](C)C[C@H]1C ZINC000828226522 587425635 /nfs/dbraw/zinc/42/56/35/587425635.db2.gz VOBVNDCVNQRSOJ-DBIOUOCHSA-N -1 0 241.331 2.038 20 0 BEADRM C[C@@H](CC(=O)[O-])C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000828232508 587426527 /nfs/dbraw/zinc/42/65/27/587426527.db2.gz GOPHFAJOALLFGR-VWYCJHECSA-N -1 0 241.331 2.134 20 0 BEADRM C/C=C(/C)C(=O)OCc1cc(C(=O)[O-])oc1C ZINC000828534916 587448748 /nfs/dbraw/zinc/44/87/48/587448748.db2.gz SURXEVVWQRFIDM-DAXSKMNVSA-N -1 0 238.239 2.296 20 0 BEADRM C/C=C(/C)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000828534812 587448854 /nfs/dbraw/zinc/44/88/54/587448854.db2.gz QDFRQQSCRRVOJC-CLTKARDFSA-N -1 0 237.230 2.429 20 0 BEADRM C/C=C(\C)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000828534887 587448922 /nfs/dbraw/zinc/44/89/22/587448922.db2.gz RXVCVXOBVYITSL-YCRREMRBSA-N -1 0 234.251 2.185 20 0 BEADRM C/C=C(/C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000828534233 587448924 /nfs/dbraw/zinc/44/89/24/587448924.db2.gz FLNUEAFZQHSPKB-OQFOIZHKSA-N -1 0 245.278 2.193 20 0 BEADRM C/C=C(\C)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000828534850 587448932 /nfs/dbraw/zinc/44/89/32/587448932.db2.gz QTVILUGHXMMEPB-DKSFEKEHSA-N -1 0 234.251 2.322 20 0 BEADRM C/C=C(\C)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000828534814 587449021 /nfs/dbraw/zinc/44/90/21/587449021.db2.gz QDFRQQSCRRVOJC-XVNBXDOJSA-N -1 0 237.230 2.429 20 0 BEADRM C/C=C(\C)C(=O)OCc1cc(C(=O)[O-])oc1C ZINC000828534917 587449032 /nfs/dbraw/zinc/44/90/32/587449032.db2.gz SURXEVVWQRFIDM-QPJJXVBHSA-N -1 0 238.239 2.296 20 0 BEADRM C/C=C\C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000828540894 587449452 /nfs/dbraw/zinc/44/94/52/587449452.db2.gz AFDCHXWZZWUVMY-RIOQRLLOSA-N -1 0 247.294 2.141 20 0 BEADRM C/C=C(/C=C/C(=O)NC(C)(C)CC(=O)[O-])CC ZINC000828542157 587449772 /nfs/dbraw/zinc/44/97/72/587449772.db2.gz IHVXFUKTMYKOOV-LZIZUESTSA-N -1 0 239.315 2.268 20 0 BEADRM C/C=C(/C=C/C(=O)OC/C=C(/C)C(=O)[O-])CC ZINC000828543173 587449886 /nfs/dbraw/zinc/44/98/86/587449886.db2.gz RLLXFHZSHOUVNL-YQYPWIRWSA-N -1 0 238.283 2.473 20 0 BEADRM CCC(=CC(=O)N[C@](C)(CC)C(=O)[O-])CC ZINC000828548438 587450200 /nfs/dbraw/zinc/45/02/00/587450200.db2.gz AEJYCQPSDROBHU-GFCCVEGCSA-N -1 0 227.304 2.102 20 0 BEADRM CC[C@](C)(CC(=O)[O-])NC(=O)C(C)=C(C)C ZINC000828612574 587454211 /nfs/dbraw/zinc/45/42/11/587454211.db2.gz YYQONEVWKWGJRF-GFCCVEGCSA-N -1 0 227.304 2.102 20 0 BEADRM CC[C@](C)(NC(=O)C[C@H]1CC[C@@H](C)C1)C(=O)[O-] ZINC000828685438 587457255 /nfs/dbraw/zinc/45/72/55/587457255.db2.gz LGSCZUDPRZFTDQ-NRUUGDAUSA-N -1 0 241.331 2.182 20 0 BEADRM CC[C@@](C)(NC/C=C(/C)C(=O)[O-])C(F)(F)F ZINC000828693769 587457560 /nfs/dbraw/zinc/45/75/60/587457560.db2.gz ZVWXAYBAFHLXHO-WILPJHFFSA-N -1 0 239.237 2.338 20 0 BEADRM CCON(CC)C(=O)c1cc(F)cc(F)c1[O-] ZINC000828734160 587459552 /nfs/dbraw/zinc/45/95/52/587459552.db2.gz ZGLCKZSOCAWPAI-UHFFFAOYSA-N -1 0 245.225 2.084 20 0 BEADRM CC[C@@H](C)COC(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000828747803 587460046 /nfs/dbraw/zinc/46/00/46/587460046.db2.gz XJPDJDAPRNULGC-NXEZZACHSA-N -1 0 245.319 2.258 20 0 BEADRM CCC(CC)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000828854856 587466913 /nfs/dbraw/zinc/46/69/13/587466913.db2.gz WXJMUUKTYKJBER-UHFFFAOYSA-N -1 0 238.287 2.098 20 0 BEADRM COC[C@@H](C)Nc1ccc(NC(=O)[O-])cc1 ZINC000828904677 587470866 /nfs/dbraw/zinc/47/08/66/587470866.db2.gz XDEUXQPRELNQHK-MRVPVSSYSA-N -1 0 224.260 2.223 20 0 BEADRM O=C([N-]Oc1ccccc1F)[C@]12C[C@H]1CCC2 ZINC000828985184 587477810 /nfs/dbraw/zinc/47/78/10/587477810.db2.gz PZHONLRMZJRTOB-NOZJJQNGSA-N -1 0 235.258 2.426 20 0 BEADRM CCC1(C(=O)OC/C=C(\C)C(=O)[O-])CCC1 ZINC000829038950 587480355 /nfs/dbraw/zinc/48/03/55/587480355.db2.gz IMXDIXNAXGFWGO-WEVVVXLNSA-N -1 0 226.272 2.141 20 0 BEADRM CCC1CCC(NC(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000829080475 587482523 /nfs/dbraw/zinc/48/25/23/587482523.db2.gz FHFKMQJVDICYST-WHXUTIOJSA-N -1 0 241.331 2.182 20 0 BEADRM CCC/C(C)=C/C(=O)NC(CC)(CC)C(=O)[O-] ZINC000829207748 587488625 /nfs/dbraw/zinc/48/86/25/587488625.db2.gz DSDKPKLXZMPZTM-MDZDMXLPSA-N -1 0 241.331 2.492 20 0 BEADRM CCC[C@H](C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000829208299 587488639 /nfs/dbraw/zinc/48/86/39/587488639.db2.gz JXKTULAAQQQZSX-QMMMGPOBSA-N -1 0 238.287 2.098 20 0 BEADRM CCC[C@H](CC)OC(=O)[C@@H](C)CC(=O)[O-] ZINC000829216375 587488804 /nfs/dbraw/zinc/48/88/04/587488804.db2.gz LXKHVWLZRHRDGI-IUCAKERBSA-N -1 0 216.277 2.219 20 0 BEADRM CCC[C@H](C)OC(=O)c1ccc(C(=O)[O-])cn1 ZINC000829216250 587488841 /nfs/dbraw/zinc/48/88/41/587488841.db2.gz LNTCRAVUFOBNSZ-QMMMGPOBSA-N -1 0 237.255 2.125 20 0 BEADRM CCCC1(C(=O)OC/C=C(\C)C(=O)[O-])CC1 ZINC000829238079 587489880 /nfs/dbraw/zinc/48/98/80/587489880.db2.gz LHJDUKFZRFXKMV-RUDMXATFSA-N -1 0 226.272 2.141 20 0 BEADRM CCC/C=C\C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000829267601 587490900 /nfs/dbraw/zinc/49/09/00/587490900.db2.gz VYXBMQATYJQLNE-WAYWQWQTSA-N -1 0 236.271 2.018 20 0 BEADRM CCCC[C@H](SC[C@@H](C)C(=O)[O-])C(=O)OC ZINC000829295777 587491969 /nfs/dbraw/zinc/49/19/69/587491969.db2.gz JZCBMHNTLXAKIM-BDAKNGLRSA-N -1 0 248.344 2.172 20 0 BEADRM CCCCCOC(=O)c1cnccc1C(=O)[O-] ZINC000829363236 587494250 /nfs/dbraw/zinc/49/42/50/587494250.db2.gz BOAWGCJLKOREMI-UHFFFAOYSA-N -1 0 237.255 2.127 20 0 BEADRM CCCN(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829453565 587498121 /nfs/dbraw/zinc/49/81/21/587498121.db2.gz VLTNZJBMGXZWSE-UHFFFAOYSA-N -1 0 242.300 2.320 20 0 BEADRM CCCNC(=S)Nc1ccc(C(=O)[O-])s1 ZINC000829519988 587502055 /nfs/dbraw/zinc/50/20/55/587502055.db2.gz ZGBHOYLDUUPLBB-UHFFFAOYSA-N -1 0 244.341 2.143 20 0 BEADRM CC[N@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000829608516 587505696 /nfs/dbraw/zinc/50/56/96/587505696.db2.gz KRSSXPMTJWRXEB-SNVBAGLBSA-N -1 0 247.216 2.181 20 0 BEADRM CCN(CC(=O)[O-])C(=O)C1CCC(C)(C)CC1 ZINC000829623984 587506127 /nfs/dbraw/zinc/50/61/27/587506127.db2.gz JXEVAJWHFDDOMU-UHFFFAOYSA-N -1 0 241.331 2.136 20 0 BEADRM 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C[C@@H](Nc1nccc2occc21)[C@H](C)C(=O)[O-] ZINC000235302083 711661888 /nfs/dbraw/zinc/66/18/88/711661888.db2.gz GXQMTMPMYPBHHR-JGVFFNPUSA-N -1 0 234.255 2.349 20 0 BEADRM Cc1ccc(C[N-]C(=O)C(F)(F)C(F)F)o1 ZINC000235766194 711668179 /nfs/dbraw/zinc/66/81/79/711668179.db2.gz IJFMBKWBWWUZJL-UHFFFAOYSA-N -1 0 239.168 2.105 20 0 BEADRM CC[C@@]1(N=c2nc(C(C)C)[n-]s2)CCOC1 ZINC000393754665 711677546 /nfs/dbraw/zinc/67/75/46/711677546.db2.gz VUUPDYMKRJVEEN-LLVKDONJSA-N -1 0 241.360 2.064 20 0 BEADRM CCC(CC)CNc1cc(C(=O)[O-])ncn1 ZINC000309438334 711681846 /nfs/dbraw/zinc/68/18/46/711681846.db2.gz NHDAGAJVZJEWRR-UHFFFAOYSA-N -1 0 223.276 2.023 20 0 BEADRM CC(C)CCC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC000136695678 711732284 /nfs/dbraw/zinc/73/22/84/711732284.db2.gz YSRKYJRWGXIIPY-JTQLQIEISA-N -1 0 243.347 2.428 20 0 BEADRM CC[C@@H](C)CCC(=O)NC[C@@H](C)CC(=O)[O-] ZINC000909492495 711778359 /nfs/dbraw/zinc/77/83/59/711778359.db2.gz SGVISSVGYYYCAX-ZJUUUORDSA-N -1 0 229.320 2.040 20 0 BEADRM 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235.283 2.364 20 0 BEADRM CN(C(=O)Nc1ccsc1)C(C)(C)C(=O)[O-] ZINC000085535837 711936124 /nfs/dbraw/zinc/93/61/24/711936124.db2.gz SGGCLKGGFJDTQL-UHFFFAOYSA-N -1 0 242.300 2.075 20 0 BEADRM Cc1nc(N[C@H]2CC=C(C(=O)[O-])C2)sc1C ZINC000702558900 712055053 /nfs/dbraw/zinc/05/50/53/712055053.db2.gz JDVOOTOMMRRZNQ-VIFPVBQESA-N -1 0 238.312 2.345 20 0 BEADRM Cc1nc(NCC[C@H](C)F)sc1C(=O)[O-] ZINC000702554381 712055162 /nfs/dbraw/zinc/05/51/62/712055162.db2.gz HRBJTKRJZUJJCQ-YFKPBYRVSA-N -1 0 232.280 2.310 20 0 BEADRM CC(C)(C)c1cc(NC2CC(C(=O)[O-])C2)ncn1 ZINC000703423996 712076380 /nfs/dbraw/zinc/07/63/80/712076380.db2.gz LJMJKWOCHQVFQI-UHFFFAOYSA-N -1 0 249.314 2.049 20 0 BEADRM C[C@H](CN(C)C(=O)OC1CCCCC1)C(=O)[O-] ZINC000704266077 712102176 /nfs/dbraw/zinc/10/21/76/712102176.db2.gz QHKQMKZDPWJKKT-SECBINFHSA-N -1 0 243.303 2.108 20 0 BEADRM CN(CCCC(=O)[O-])C(=O)OC1CCCCC1 ZINC000704287605 712102953 /nfs/dbraw/zinc/10/29/53/712102953.db2.gz YPSDSFUTCHUZLS-UHFFFAOYSA-N -1 0 243.303 2.252 20 0 BEADRM 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BEADRM O=C([O-])c1ccc(CSCCCO)cc1 ZINC000058240451 600247758 /nfs/dbraw/zinc/24/77/58/600247758.db2.gz LNLGLUNUDQHZKX-UHFFFAOYSA-N -1 0 226.297 2.000 20 0 BEADRM CC(C)N(CCC(=O)[O-])CC(F)(F)C(F)F ZINC000309128832 600261513 /nfs/dbraw/zinc/26/15/13/600261513.db2.gz CBUSQTHPMKSSIK-UHFFFAOYSA-N -1 0 245.216 2.072 20 0 BEADRM O=C([O-])CCCSc1ccc(Cl)nn1 ZINC000308540885 600273898 /nfs/dbraw/zinc/27/38/98/600273898.db2.gz UCLAVCLUGMNGCE-UHFFFAOYSA-N -1 0 232.692 2.087 20 0 BEADRM C[C@@H](CSCc1cscn1)C(=O)[O-] ZINC000083050772 600379767 /nfs/dbraw/zinc/37/97/67/600379767.db2.gz LPZKNSYIEIZUTC-LURJTMIESA-N -1 0 217.315 2.097 20 0 BEADRM C[C@@H](CC1CCCC1)C(=O)NCCCC(=O)[O-] ZINC000237485367 600412287 /nfs/dbraw/zinc/41/22/87/600412287.db2.gz CQZGSDHCRVOOBA-JTQLQIEISA-N -1 0 241.331 2.184 20 0 BEADRM O=C([O-])c1ccc(C(=O)N2C[C@H]3CCC[C@@H]32)cc1 ZINC000706890397 600413934 /nfs/dbraw/zinc/41/39/34/600413934.db2.gz PRGHIESIMHQPNO-NEPJUHHUSA-N -1 0 245.278 2.009 20 0 BEADRM CC[C@](C)(NCc1nc2ccccc2o1)C(=O)[O-] ZINC000094228425 600563244 /nfs/dbraw/zinc/56/32/44/600563244.db2.gz CXMFEUKNNNWZAY-ZDUSSCGKSA-N -1 0 248.282 2.171 20 0 BEADRM C[C@@H](CC(=O)[O-])SCCOC(C)(C)C ZINC000158847699 600580632 /nfs/dbraw/zinc/58/06/32/600580632.db2.gz BJZPGKLCCQOQMN-QMMMGPOBSA-N -1 0 220.334 2.398 20 0 BEADRM C[C@@H](CC(=O)[O-])SCc1nnc(C2CC2)o1 ZINC000700333933 600584354 /nfs/dbraw/zinc/58/43/54/600584354.db2.gz FIBFEGGQFMUZBD-LURJTMIESA-N -1 0 242.300 2.043 20 0 BEADRM C[C@@H](CC(=O)[O-])SCc1ccncc1 ZINC000085157746 600587996 /nfs/dbraw/zinc/58/79/96/600587996.db2.gz WCGGSLZUAUELPY-QMMMGPOBSA-N -1 0 211.286 2.178 20 0 BEADRM Cc1nnc([C@H](C)S[C@H](C)CC(=O)[O-])o1 ZINC000738379285 600588835 /nfs/dbraw/zinc/58/88/35/600588835.db2.gz QSYTZDFAPYDLMP-RITPCOANSA-N -1 0 230.289 2.035 20 0 BEADRM Cc1nnc([C@H](C)S[C@@H](C)CC(=O)[O-])o1 ZINC000738379286 600588858 /nfs/dbraw/zinc/58/88/58/600588858.db2.gz QSYTZDFAPYDLMP-WDSKDSINSA-N -1 0 230.289 2.035 20 0 BEADRM CCC[C@H](C)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000163354255 600589369 /nfs/dbraw/zinc/58/93/69/600589369.db2.gz MEGVMKNIODSYJO-ZETCQYMHSA-N -1 0 238.287 2.396 20 0 BEADRM Cc1noc([C@@H](C)S[C@H](C)CC(=O)[O-])n1 ZINC000738386574 600594003 /nfs/dbraw/zinc/59/40/03/600594003.db2.gz SATXFKMOIMGWAK-PHDIDXHHSA-N -1 0 230.289 2.035 20 0 BEADRM C[C@@H](CSCc1cccnc1)C(=O)[O-] ZINC000083051067 600595801 /nfs/dbraw/zinc/59/58/01/600595801.db2.gz VEMSDKOJSQOPCG-QMMMGPOBSA-N -1 0 211.286 2.036 20 0 BEADRM Cc1cc(Cn2cnc(C)c2C)oc1C(=O)[O-] ZINC000051926182 600612379 /nfs/dbraw/zinc/61/23/79/600612379.db2.gz BFPKPJCPXNOVEO-UHFFFAOYSA-N -1 0 234.255 2.148 20 0 BEADRM Cc1ncn(Cc2cc(C(=O)[O-])oc2C)c1C ZINC000051926189 600612659 /nfs/dbraw/zinc/61/26/59/600612659.db2.gz XUQRFEPCTMGKHK-UHFFFAOYSA-N -1 0 234.255 2.148 20 0 BEADRM Cc1nc(C)c(F)c(SC[C@@H](C)C(=O)[O-])n1 ZINC000738846953 600626231 /nfs/dbraw/zinc/62/62/31/600626231.db2.gz GRDURZZYAHDKBR-RXMQYKEDSA-N -1 0 244.291 2.045 20 0 BEADRM CCC[C@H](CC1CCCC1)C(=O)NCC(=O)[O-] ZINC000237021145 600628410 /nfs/dbraw/zinc/62/84/10/600628410.db2.gz JWEZSAFOPJHZAD-LLVKDONJSA-N -1 0 241.331 2.184 20 0 BEADRM O=C([O-])CSCc1cccc(Cl)n1 ZINC000086114280 600669873 /nfs/dbraw/zinc/66/98/73/600669873.db2.gz CJTQKRSBSCYTKT-UHFFFAOYSA-N -1 0 217.677 2.053 20 0 BEADRM CN(C(=O)C1CC=CC1)c1ccccc1C(=O)[O-] ZINC000085159593 600687265 /nfs/dbraw/zinc/68/72/65/600687265.db2.gz KAQUJFRSDIKGDU-UHFFFAOYSA-N -1 0 245.278 2.314 20 0 BEADRM O=C([O-])Cc1ccc(OC(=O)C2CC=CC2)cc1 ZINC000739883979 600688185 /nfs/dbraw/zinc/68/81/85/600688185.db2.gz LRRQIWUCVVQUDS-UHFFFAOYSA-N -1 0 246.262 2.185 20 0 BEADRM CCCc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000044376735 600695247 /nfs/dbraw/zinc/69/52/47/600695247.db2.gz YSBIOEBDEGMHDY-UHFFFAOYSA-N -1 0 232.239 2.387 20 0 BEADRM Cc1cc(C)n(Cc2ccc(F)cc2C(=O)[O-])n1 ZINC000071265175 600709459 /nfs/dbraw/zinc/70/94/59/600709459.db2.gz YFHQJPSIIDZSFT-UHFFFAOYSA-N -1 0 248.257 2.386 20 0 BEADRM CCn1ccnc1SC/C=C(\C)C(=O)[O-] ZINC000689726441 600726783 /nfs/dbraw/zinc/72/67/83/600726783.db2.gz DLMWDFQLOGGDCB-XBXARRHUSA-N -1 0 226.301 2.026 20 0 BEADRM CCCC[C@@H](SCCOC)C(=O)[O-] ZINC000162000532 600729944 /nfs/dbraw/zinc/72/99/44/600729944.db2.gz YCWYNYAMHIRNCF-MRVPVSSYSA-N -1 0 206.307 2.009 20 0 BEADRM CC(C)(CC(=O)[O-])NC(=O)CC1=CCCCC1 ZINC000084146433 600775084 /nfs/dbraw/zinc/77/50/84/600775084.db2.gz PZWHMLATSINETH-UHFFFAOYSA-N -1 0 239.315 2.246 20 0 BEADRM CC(C)OCCCS[C@H](C)CC(=O)[O-] ZINC000690563345 600818253 /nfs/dbraw/zinc/81/82/53/600818253.db2.gz CDDJZVUXAMLNDB-SECBINFHSA-N -1 0 220.334 2.398 20 0 BEADRM O=C([O-])c1ccc(CSc2ncc[nH]2)cc1 ZINC000096551669 600840378 /nfs/dbraw/zinc/84/03/78/600840378.db2.gz LPZZBISPFVBRNL-UHFFFAOYSA-N -1 0 234.280 2.400 20 0 BEADRM C[C@@H](CCO)S[C@H](C(=O)[O-])c1ccccc1 ZINC000085141944 600840575 /nfs/dbraw/zinc/84/05/75/600840575.db2.gz OMVNJGATDDLGBF-ONGXEEELSA-N -1 0 240.324 2.316 20 0 BEADRM C[C@H]1CCC[C@@H](C(=O)NC(C)(C)CC(=O)[O-])C1 ZINC000383228359 600845416 /nfs/dbraw/zinc/84/54/16/600845416.db2.gz SZLSQPBOAPQZSJ-VHSXEESVSA-N -1 0 241.331 2.182 20 0 BEADRM CCCCC[C@@H](C)CC(=O)N(C)CC(=O)[O-] ZINC000123568495 600855364 /nfs/dbraw/zinc/85/53/64/600855364.db2.gz UJXZXTVSHAGYJT-SNVBAGLBSA-N -1 0 229.320 2.136 20 0 BEADRM CC[C@@](C)(NC(=O)/C=C(/C)C(C)(C)C)C(=O)[O-] ZINC000766964158 600871693 /nfs/dbraw/zinc/87/16/93/600871693.db2.gz QWYUSSQJHGHQTM-LJTDUEICSA-N -1 0 241.331 2.348 20 0 BEADRM CCCCC[C@H](C)CC(=O)NC[C@@H](C)C(=O)[O-] ZINC000236855533 600872062 /nfs/dbraw/zinc/87/20/62/600872062.db2.gz RBZIAKBQAJWJIS-WDEREUQCSA-N -1 0 243.347 2.430 20 0 BEADRM CC(C)C[C@H](CNC(=O)[C@H](C)C(C)C)C(=O)[O-] ZINC000094702839 600922235 /nfs/dbraw/zinc/92/22/35/600922235.db2.gz CCAJVTSQECCTPP-GHMZBOCLSA-N -1 0 243.347 2.142 20 0 BEADRM CC(C)C[C@H](CNC(=O)C1CCCC1)C(=O)[O-] ZINC000094702016 600922404 /nfs/dbraw/zinc/92/24/04/600922404.db2.gz GFRAYHXSLAOAEE-LLVKDONJSA-N -1 0 241.331 2.040 20 0 BEADRM Cc1cnc(CS[C@@H](C)CC(=O)[O-])o1 ZINC000700329729 600985447 /nfs/dbraw/zinc/98/54/47/600985447.db2.gz VDIHNYGRSXWZAN-ZETCQYMHSA-N -1 0 215.274 2.079 20 0 BEADRM CCCCCC[C@@H](C)C(=O)N(C)CC(=O)[O-] ZINC000153141520 601053867 /nfs/dbraw/zinc/05/38/67/601053867.db2.gz GQSRVQKYLHAIOO-SNVBAGLBSA-N -1 0 229.320 2.136 20 0 BEADRM C[C@H](CO)CSCc1ccc(C(=O)[O-])cc1 ZINC000085137576 601096078 /nfs/dbraw/zinc/09/60/78/601096078.db2.gz QILTYSWHFBUZEQ-SECBINFHSA-N -1 0 240.324 2.246 20 0 BEADRM C/C(=C/C[N@@H+](C)Cc1cccc(F)c1)C(=O)[O-] ZINC000088630396 601153185 /nfs/dbraw/zinc/15/31/85/601153185.db2.gz ZLRZYKXIPCVOJD-POHAHGRESA-N -1 0 237.274 2.288 20 0 BEADRM C/C(=C/C[N@@H+](C)Cc1cccs1)C(=O)[O-] ZINC000084002377 601153339 /nfs/dbraw/zinc/15/33/39/601153339.db2.gz BIOZAELNULOBMZ-UITAMQMPSA-N -1 0 225.313 2.211 20 0 BEADRM CCCN(C/C=C(/C)C(=O)[O-])CC(F)(F)F ZINC000084002879 601161660 /nfs/dbraw/zinc/16/16/60/601161660.db2.gz BUWGKMWHRHUJNA-YWEYNIOJSA-N -1 0 239.237 2.292 20 0 BEADRM CC1(COc2ccccc2NC(=O)[O-])COC1 ZINC000828107313 601228904 /nfs/dbraw/zinc/22/89/04/601228904.db2.gz VEBGRJQUFVSDGS-UHFFFAOYSA-N -1 0 237.255 2.192 20 0 BEADRM CS/C=C\C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000390017852 601340476 /nfs/dbraw/zinc/34/04/76/601340476.db2.gz ZFKDGAUKOALYAT-SREVYHEPSA-N -1 0 237.280 2.200 20 0 BEADRM Cc1cc(C(=O)[O-])nn1Cc1cccc(C)c1 ZINC000071534557 601365048 /nfs/dbraw/zinc/36/50/48/601365048.db2.gz RTRMDMMLDYASHB-UHFFFAOYSA-N -1 0 230.267 2.246 20 0 BEADRM CCCC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000236726166 601393496 /nfs/dbraw/zinc/39/34/96/601393496.db2.gz IHNRCOJOIHISBD-GXFFZTMASA-N -1 0 249.310 2.365 20 0 BEADRM O=C([O-])CC1(NC(=O)Nc2ccccc2)CCC1 ZINC000094291116 601394933 /nfs/dbraw/zinc/39/49/33/601394933.db2.gz HHIOYSIDDPFOSC-UHFFFAOYSA-N -1 0 248.282 2.206 20 0 BEADRM C[C@@H](CC(=O)[O-])SCCCCCCO ZINC000235073293 601407765 /nfs/dbraw/zinc/40/77/65/601407765.db2.gz OZJIKZOVYNOUAC-VIFPVBQESA-N -1 0 220.334 2.136 20 0 BEADRM Cc1cc(CSC[C@H](C)CO)oc1C(=O)[O-] ZINC000085137566 601407848 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CCCC[C@@H](NC(=O)/C=C/C(C)(C)C)C(=O)[O-] ZINC000184948581 347185977 /nfs/dbraw/zinc/18/59/77/347185977.db2.gz MOZOUXPDNQKTRJ-AAXQSMANSA-N -1 0 241.331 2.348 20 0 BEADRM C[C@H]1CCCC[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC000310629694 347299869 /nfs/dbraw/zinc/29/98/69/347299869.db2.gz LVXGFZTWPPBREP-VHSXEESVSA-N -1 0 249.314 2.413 20 0 BEADRM C[C@@H]1CCCC[C@@H]1CNc1ncc(C(=O)[O-])cn1 ZINC000310629688 347299873 /nfs/dbraw/zinc/29/98/73/347299873.db2.gz LVXGFZTWPPBREP-NXEZZACHSA-N -1 0 249.314 2.413 20 0 BEADRM CC(C)c1ccc(NC(=O)NCC(=O)[O-])cc1 ZINC000019978296 347331917 /nfs/dbraw/zinc/33/19/17/347331917.db2.gz CEIMBWKDEKFHPQ-UHFFFAOYSA-N -1 0 236.271 2.016 20 0 BEADRM Cc1ccccc1C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000334963384 179248724 /nfs/dbraw/zinc/24/87/24/179248724.db2.gz HBGCRWDEFZPYEW-UHFFFAOYSA-N -1 0 241.294 2.076 20 0 BEADRM C[C@H](C(=O)[O-])C(=O)NCC[C@@H]1CCCC[C@@H]1C ZINC000577220857 365888198 /nfs/dbraw/zinc/88/81/98/365888198.db2.gz ZDRBUBHFTOIFBH-DCAQKATOSA-N -1 0 241.331 2.040 20 0 BEADRM CCC(CC)(CC(=O)NC[C@H]1C[C@@H]1C)C(=O)[O-] ZINC000158929892 347529322 /nfs/dbraw/zinc/52/93/22/347529322.db2.gz GLUHVLHLCKTSLG-VHSXEESVSA-N -1 0 241.331 2.040 20 0 BEADRM CCCC(CCC)[S@@](=O)[C@H](C)C(=O)[O-] ZINC000590900908 347584588 /nfs/dbraw/zinc/58/45/88/347584588.db2.gz NZEFBLDJRKGQQP-CLAHSXSESA-N -1 0 220.334 2.177 20 0 BEADRM CCCC(CCC)[S@](=O)[C@@H](C)C(=O)[O-] ZINC000590900909 347584858 /nfs/dbraw/zinc/58/48/58/347584858.db2.gz NZEFBLDJRKGQQP-RMLUDKJBSA-N -1 0 220.334 2.177 20 0 BEADRM C[C@@H](C(=O)[O-])[S@](=O)CC1(C)CCCCC1 ZINC000590901104 347584917 /nfs/dbraw/zinc/58/49/17/347584917.db2.gz WQOFAHXEMIGLIZ-BJOHPYRUSA-N -1 0 232.345 2.179 20 0 BEADRM Cc1ccccc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000077370662 179298083 /nfs/dbraw/zinc/29/80/83/179298083.db2.gz JGQZUJFAKHYODY-UHFFFAOYSA-N -1 0 235.283 2.434 20 0 BEADRM CC(C)(C)c1nc(=NCC2CCC2)[n-]o1 ZINC000380142407 365936637 /nfs/dbraw/zinc/93/66/37/365936637.db2.gz VXJCGLJIIWKLIC-UHFFFAOYSA-N -1 0 209.293 2.001 20 0 BEADRM O=C([O-])c1cc(NC2CCCC2)ccn1 ZINC000036896338 347968645 /nfs/dbraw/zinc/96/86/45/347968645.db2.gz WOANWDDADKKLMP-UHFFFAOYSA-N -1 0 206.245 2.134 20 0 BEADRM CN(CCC(=O)[O-])c1ncccc1C(F)(F)F ZINC000037932577 348000303 /nfs/dbraw/zinc/00/03/03/348000303.db2.gz ISEZDYIFDYWMMS-UHFFFAOYSA-N -1 0 248.204 2.011 20 0 BEADRM CC(C)c1ccccc1NC(=O)NCC(=O)[O-] ZINC000019978293 187385486 /nfs/dbraw/zinc/38/54/86/187385486.db2.gz QOSKJWWFDVMLKC-UHFFFAOYSA-N -1 0 236.271 2.016 20 0 BEADRM Cc1cccnc1NC(=O)c1c([O-])cccc1F ZINC000119890227 179394043 /nfs/dbraw/zinc/39/40/43/179394043.db2.gz KDXDXMQXQAHZJD-UHFFFAOYSA-N -1 0 246.241 2.487 20 0 BEADRM CCC(CC)(C(=O)[O-])C(=O)OC(C)(C)C ZINC000079798249 348781534 /nfs/dbraw/zinc/78/15/34/348781534.db2.gz BWQMPBFVVDCZQU-UHFFFAOYSA-N -1 0 216.277 2.219 20 0 BEADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCCC[C@H]1C ZINC000070408775 350001735 /nfs/dbraw/zinc/00/17/35/350001735.db2.gz WTYQQJKGHBGMPG-WDEREUQCSA-N -1 0 241.331 2.278 20 0 BEADRM Cc1n[n-]c(=NC[C@@H]2CCCC[C@H]2C)o1 ZINC000335607920 179812331 /nfs/dbraw/zinc/81/23/31/179812331.db2.gz QYNZOIGCOVRALQ-SCZZXKLOSA-N -1 0 209.293 2.038 20 0 BEADRM CO[C@@H](C)CN1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000252826779 349217853 /nfs/dbraw/zinc/21/78/53/349217853.db2.gz UVBLMUFQQYMWAE-JQWIXIFHSA-N -1 0 249.310 2.100 20 0 BEADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H]1CC[C@@H](C)CC1 ZINC000253142954 349227035 /nfs/dbraw/zinc/22/70/35/349227035.db2.gz YAVKZUSUKDARPY-GMTAPVOTSA-N -1 0 241.331 2.182 20 0 BEADRM CCC(CC)[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000263354948 535092452 /nfs/dbraw/zinc/09/24/52/535092452.db2.gz REGHWJVPPBFVPE-MWLCHTKSSA-N -1 0 241.331 2.134 20 0 BEADRM Cc1n[nH]c(C)c1CNc1cccc(C(=O)[O-])c1 ZINC000037412257 179826211 /nfs/dbraw/zinc/82/62/11/179826211.db2.gz BNHMXIDNAAWVSE-UHFFFAOYSA-N -1 0 245.282 2.337 20 0 BEADRM CC(C)CC[C@@H](C)NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000061834643 349406823 /nfs/dbraw/zinc/40/68/23/349406823.db2.gz ISHFZUIVVVUGHT-GHMZBOCLSA-N -1 0 243.347 2.428 20 0 BEADRM CCCN(CC1CC1)C(=O)C[C@H](C)CC(=O)[O-] ZINC000061834970 349407612 /nfs/dbraw/zinc/40/76/12/349407612.db2.gz QNTUQSBKZZKXDM-JTQLQIEISA-N -1 0 241.331 2.136 20 0 BEADRM CCN(C(=O)N(CC)[C@@H](C)CC(=O)[O-])C(C)C ZINC000061213410 349373144 /nfs/dbraw/zinc/37/31/44/349373144.db2.gz ZIZUPMLZSRUWMC-JTQLQIEISA-N -1 0 244.335 2.022 20 0 BEADRM CC[C@@H](Nc1ccnc(C(F)(F)F)c1)C(=O)[O-] ZINC000304310056 350157722 /nfs/dbraw/zinc/15/77/22/350157722.db2.gz QJNVKUQLQDURDH-SSDOTTSWSA-N -1 0 248.204 2.376 20 0 BEADRM CCCCC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000052878603 168623973 /nfs/dbraw/zinc/62/39/73/168623973.db2.gz QRBRARRTNRGJQI-CQSZACIVSA-N -1 0 249.310 2.293 20 0 BEADRM CCC(CC)(CC)CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000390973215 350368352 /nfs/dbraw/zinc/36/83/52/350368352.db2.gz BTJAOAFCLXSEIX-NXEZZACHSA-N -1 0 241.331 2.040 20 0 BEADRM CCC[C@H](CC)Nc1ncc(C(=O)[O-])cn1 ZINC000309265165 323337331 /nfs/dbraw/zinc/33/73/31/323337331.db2.gz FCVDEKFCKBJURY-VIFPVBQESA-N -1 0 223.276 2.165 20 0 BEADRM Cc1nn([C@H](C)C2CC2)c(C)c1CC(=O)[O-] ZINC000040931890 180393441 /nfs/dbraw/zinc/39/34/41/180393441.db2.gz NFWNJNPNQIDPOU-MRVPVSSYSA-N -1 0 222.288 2.098 20 0 BEADRM C[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)C1CC1 ZINC000163289931 350515018 /nfs/dbraw/zinc/51/50/18/350515018.db2.gz WULJKLPNUZSPFG-SECBINFHSA-N -1 0 247.294 2.047 20 0 BEADRM CCC(CC)[C@H](C)C(=O)N[C@](C)(CC)C(=O)[O-] ZINC000263318053 535135303 /nfs/dbraw/zinc/13/53/03/535135303.db2.gz IDDQAZKSZIDIMC-TVQRCGJNSA-N -1 0 243.347 2.428 20 0 BEADRM C=Cc1ccc(CCN=c2[n-]nc(C)o2)cc1 ZINC000359953293 191111795 /nfs/dbraw/zinc/11/17/95/191111795.db2.gz AYXKCHWDHVVWRF-UHFFFAOYSA-N -1 0 229.283 2.098 20 0 BEADRM CC/C=C/CN=c1nc([C@@H](C)OC)[n-]s1 ZINC000384843798 350595375 /nfs/dbraw/zinc/59/53/75/350595375.db2.gz AGGZHDABALIDOC-HQZHTGGTSA-N -1 0 227.333 2.046 20 0 BEADRM C[C@H](CNC(=O)[C@H]1CCCC[C@@H]1C)CC(=O)[O-] ZINC000425247432 323411264 /nfs/dbraw/zinc/41/12/64/323411264.db2.gz YGXAWHGYYFUXAH-DCAQKATOSA-N -1 0 241.331 2.040 20 0 BEADRM CCCCCCC(=O)N(CC)CCC(=O)[O-] ZINC000038022347 168644650 /nfs/dbraw/zinc/64/46/50/168644650.db2.gz GAVAUDWLSKJMRH-UHFFFAOYSA-N -1 0 229.320 2.280 20 0 BEADRM CC1(C)CCC[C@H](C(=O)N=c2cccn[n-]2)C1 ZINC000339657387 350771941 /nfs/dbraw/zinc/77/19/41/350771941.db2.gz KPDHZVSDJDTIRE-JTQLQIEISA-N -1 0 233.315 2.053 20 0 BEADRM Cc1cncc(CN=c2[n-]c(C3CCC3)no2)c1 ZINC000577586046 366004888 /nfs/dbraw/zinc/00/48/88/366004888.db2.gz MVFZYVFOBHYPKC-UHFFFAOYSA-N -1 0 244.298 2.075 20 0 BEADRM CCc1nc(=NCCSC(C)C)s[n-]1 ZINC000336693078 350997506 /nfs/dbraw/zinc/99/75/06/350997506.db2.gz QTJNSMLLGNTHHV-UHFFFAOYSA-N -1 0 231.390 2.076 20 0 BEADRM CC(C)c1nc(=NC[C@H]2CC[C@@H](C)O2)s[n-]1 ZINC000398113798 351006900 /nfs/dbraw/zinc/00/69/00/351006900.db2.gz SZXHHCDAEOSOHT-RKDXNWHRSA-N -1 0 241.360 2.063 20 0 BEADRM Cc1sc(/C=C/c2cnn(C)c2)nc1C(=O)[O-] ZINC000339113871 180556849 /nfs/dbraw/zinc/55/68/49/180556849.db2.gz KCOCPHPOLZKKNO-ONEGZZNKSA-N -1 0 249.295 2.054 20 0 BEADRM CCCN(CC(C)C)C(=O)C1(C(=O)[O-])CCC1 ZINC000379877185 351172563 /nfs/dbraw/zinc/17/25/63/351172563.db2.gz SNNXWUYEFMQIDC-UHFFFAOYSA-N -1 0 241.331 2.136 20 0 BEADRM CC(C)CNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000267025971 351297756 /nfs/dbraw/zinc/29/77/56/351297756.db2.gz CTWQBFWPLAEUII-UHFFFAOYSA-N -1 0 229.226 2.056 20 0 BEADRM CC[C@@H](OC)C(=O)Nc1cccc(Cl)c1[O-] ZINC000265650299 351273589 /nfs/dbraw/zinc/27/35/89/351273589.db2.gz XFWJMEJRBMHSPY-SECBINFHSA-N -1 0 243.690 2.409 20 0 BEADRM CC(C)CO[N-]C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000276526789 187513976 /nfs/dbraw/zinc/51/39/76/187513976.db2.gz MHKKMYFGLREYKQ-GFCCVEGCSA-N -1 0 247.294 2.060 20 0 BEADRM CO[N-]C(=O)C1(c2ccccc2F)CCCC1 ZINC000073084078 352030005 /nfs/dbraw/zinc/03/00/05/352030005.db2.gz NIIQCENWYHALNQ-UHFFFAOYSA-N -1 0 237.274 2.315 20 0 BEADRM CCCN(CCC)C(=O)CC(C)(C)C(=O)[O-] ZINC000083686532 352382577 /nfs/dbraw/zinc/38/25/77/352382577.db2.gz FAYQJTXEFWPDKG-UHFFFAOYSA-N -1 0 229.320 2.136 20 0 BEADRM CN(CC(=O)[O-])C(=O)c1csc2ccccc12 ZINC000042880856 352628850 /nfs/dbraw/zinc/62/88/50/352628850.db2.gz HJEJJMNDEAWBLJ-UHFFFAOYSA-N -1 0 249.291 2.058 20 0 BEADRM CC(C)[C@H](C(=O)NCCC(=O)[O-])c1ccccc1 ZINC000236614312 187840822 /nfs/dbraw/zinc/84/08/22/187840822.db2.gz CLAVTJIKAGERJU-ZDUSSCGKSA-N -1 0 249.310 2.017 20 0 BEADRM CC(C)[C@@]1(C)C[C@H]1N=c1[n-]nc(C(F)F)o1 ZINC000334123195 187879545 /nfs/dbraw/zinc/87/95/45/187879545.db2.gz NASZENAOEXNUBF-LHLIQPBNSA-N -1 0 231.246 2.276 20 0 BEADRM CC(C)[C@H](C(=O)[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC000238793525 259429083 /nfs/dbraw/zinc/42/90/83/259429083.db2.gz LZBYZAYOBAYHGM-IUCAKERBSA-N -1 0 245.319 2.256 20 0 BEADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2)o1 ZINC000334252797 352889342 /nfs/dbraw/zinc/88/93/42/352889342.db2.gz BYCMOMBCUSYNII-UHFFFAOYSA-N -1 0 237.280 2.389 20 0 BEADRM CCC1(NC(=O)c2cc(F)ccc2O)CC1 ZINC000296374090 188096524 /nfs/dbraw/zinc/09/65/24/188096524.db2.gz VIWUGFNIFHCZAV-UHFFFAOYSA-N -1 0 223.247 2.204 20 0 BEADRM CC(C)(CC(=O)Nc1ccccc1F)C(=O)[O-] ZINC000077384504 188136405 /nfs/dbraw/zinc/13/64/05/188136405.db2.gz VPRXJUAOWDKOQA-UHFFFAOYSA-N -1 0 239.246 2.265 20 0 BEADRM CC(C)C[C@@H](C)N=c1[n-]nc(C2CC2)o1 ZINC000336764649 188174039 /nfs/dbraw/zinc/17/40/39/188174039.db2.gz QJMJJNSEMZKBIZ-MRVPVSSYSA-N -1 0 209.293 2.215 20 0 BEADRM CC(C)(CNC(=O)CC1=CCCCC1)C(=O)[O-] ZINC000147581067 188157257 /nfs/dbraw/zinc/15/72/57/188157257.db2.gz NVBAKSFWJBKEFO-UHFFFAOYSA-N -1 0 239.315 2.104 20 0 BEADRM Cc1ccc(CSCc2nnn[n-]2)cc1C ZINC000268211992 188196442 /nfs/dbraw/zinc/19/64/42/188196442.db2.gz HAZPBNWBWBSTLY-UHFFFAOYSA-N -1 0 234.328 2.250 20 0 BEADRM Cc1ccc(F)cc1NC(=O)c1ncccc1[O-] ZINC000037760576 358476862 /nfs/dbraw/zinc/47/68/62/358476862.db2.gz YVVAWYQHWFMWQN-UHFFFAOYSA-N -1 0 246.241 2.487 20 0 BEADRM CCc1nc(=NCCC2(F)CCC2)s[n-]1 ZINC000336765814 353262116 /nfs/dbraw/zinc/26/21/16/353262116.db2.gz RETJLZMQWBIDMY-UHFFFAOYSA-N -1 0 229.324 2.217 20 0 BEADRM CC[C@H](C)CC(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000167157016 133966180 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-1 0 208.261 2.238 20 0 BEADRM CC(C)[C@@H](Nc1ncncc1C(=O)[O-])C1CC1 ZINC000324072248 487509448 /nfs/dbraw/zinc/50/94/48/487509448.db2.gz YIZBTJGTXJVCJZ-SNVBAGLBSA-N -1 0 235.287 2.021 20 0 BEADRM CCC[C@@H](C)CC(=O)N(CC(=O)[O-])CC1CC1 ZINC000675973797 487798043 /nfs/dbraw/zinc/79/80/43/487798043.db2.gz OTXRPJHHTALYET-SNVBAGLBSA-N -1 0 241.331 2.136 20 0 BEADRM O=C([O-])CCCCNc1nnc(C2CC2)s1 ZINC000668161560 487856234 /nfs/dbraw/zinc/85/62/34/487856234.db2.gz PVDNFRGBHOZBCY-UHFFFAOYSA-N -1 0 241.316 2.082 20 0 BEADRM CC[C@@H](C)CC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663151480 487866926 /nfs/dbraw/zinc/86/69/26/487866926.db2.gz CYUHQQPORPAUJU-MWLCHTKSSA-N -1 0 241.331 2.040 20 0 BEADRM CCC[C@H](C)C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000164771068 487894904 /nfs/dbraw/zinc/89/49/04/487894904.db2.gz ZFOOZNZFCSDMDW-OPQQBVKSSA-N -1 0 241.331 2.182 20 0 BEADRM CCN(C(=O)[C@@H](C)C(=O)[O-])c1cccc(C)c1 ZINC000229345552 487908025 /nfs/dbraw/zinc/90/80/25/487908025.db2.gz LVULLFPPWMXOSC-SNVBAGLBSA-N -1 0 235.283 2.069 20 0 BEADRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccccc1 ZINC000258784803 488134845 /nfs/dbraw/zinc/13/48/45/488134845.db2.gz QZCWSBZEHFLLBB-CMPLNLGQSA-N -1 0 249.310 2.221 20 0 BEADRM C[C@H]1CCC[C@H]1CNc1ccc(C(=O)[O-])nn1 ZINC000230689510 488136699 /nfs/dbraw/zinc/13/66/99/488136699.db2.gz QMHSZNRDVYTQEA-IUCAKERBSA-N -1 0 235.287 2.023 20 0 BEADRM CCN(CC(=O)[O-])Cc1sccc1Cl ZINC000379482297 488139260 /nfs/dbraw/zinc/13/92/60/488139260.db2.gz BGDKRIJHJOVLFQ-UHFFFAOYSA-N -1 0 233.720 2.308 20 0 BEADRM CC[C@H](C)[C@@H](C)C(=O)N(CCC(=O)[O-])C1CC1 ZINC000683304621 488146218 /nfs/dbraw/zinc/14/62/18/488146218.db2.gz OWTZBUOFNKGQOD-VHSXEESVSA-N -1 0 241.331 2.134 20 0 BEADRM O=c1c2c([n-]n1-c1ccccc1)CCSC2 ZINC000137328514 488162963 /nfs/dbraw/zinc/16/29/63/488162963.db2.gz GPTXVOQFPCMTLE-JTQLQIEISA-N -1 0 232.308 2.142 20 0 BEADRM Cc1cccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000085406908 488166415 /nfs/dbraw/zinc/16/64/15/488166415.db2.gz ZXKWBRQMTIDUQE-WDEREUQCSA-N -1 0 247.294 2.290 20 0 BEADRM Cc1cccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000085406910 488166624 /nfs/dbraw/zinc/16/66/24/488166624.db2.gz ZXKWBRQMTIDUQE-GHMZBOCLSA-N -1 0 247.294 2.290 20 0 BEADRM CCC(C)(CC)NC(=O)[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000230954836 488174804 /nfs/dbraw/zinc/17/48/04/488174804.db2.gz DEBLDAPLLNZMOC-NXEZZACHSA-N -1 0 241.331 2.182 20 0 BEADRM CC(C)C[C@H](C)Nc1cncc(C(=O)[O-])n1 ZINC000085693971 488196853 /nfs/dbraw/zinc/19/68/53/488196853.db2.gz IIVZTTBVAWCSLW-QMMMGPOBSA-N -1 0 223.276 2.021 20 0 BEADRM O=C([O-])[C@@H]1CCCN(c2ncc(Cl)s2)C1 ZINC000668127374 488207266 /nfs/dbraw/zinc/20/72/66/488207266.db2.gz JUVQUZSZHUSYEB-ZCFIWIBFSA-N -1 0 246.719 2.098 20 0 BEADRM CC(C)(C)c1nccc(NCCCC(=O)[O-])n1 ZINC000668156226 488211047 /nfs/dbraw/zinc/21/10/47/488211047.db2.gz PANLFRMCDRJDLS-UHFFFAOYSA-N -1 0 237.303 2.051 20 0 BEADRM C[C@H]1C[C@H](C)N1C(=O)c1c([O-])cc(F)cc1F ZINC000684334011 488294483 /nfs/dbraw/zinc/29/44/83/488294483.db2.gz LBFBTOOVVGJXFR-BQBZGAKWSA-N -1 0 241.237 2.293 20 0 BEADRM CCC[C@@H]1C[C@@H]1Nc1ccnc(C(=O)[O-])c1 ZINC000300383713 490115403 /nfs/dbraw/zinc/11/54/03/490115403.db2.gz LRZLNEKUYXJOMA-SCZZXKLOSA-N -1 0 220.272 2.380 20 0 BEADRM C[C@@H]1CCN(c2ccc(C(=O)[O-])cn2)[C@H](C)C1 ZINC000051746526 490168979 /nfs/dbraw/zinc/16/89/79/490168979.db2.gz LSYMUWDYDGXZTN-NXEZZACHSA-N -1 0 234.299 2.405 20 0 BEADRM O=C([O-])CCCCNc1nc2ccccc2o1 ZINC000070198320 490200995 /nfs/dbraw/zinc/20/09/95/490200995.db2.gz PDSXAPQAPTXEET-UHFFFAOYSA-N -1 0 234.255 2.495 20 0 BEADRM CCC[C@@H](C)N(C)C(=O)NCCCCC(=O)[O-] ZINC000070200511 490201962 /nfs/dbraw/zinc/20/19/62/490201962.db2.gz CNXMNHQBSJTLJH-SNVBAGLBSA-N -1 0 244.335 2.071 20 0 BEADRM C[C@@H]1CCN(c2ccc(C(=O)[O-])cn2)C[C@H]1C ZINC000253065746 490270522 /nfs/dbraw/zinc/27/05/22/490270522.db2.gz IPNKBLPEOIBQHB-NXEZZACHSA-N -1 0 234.299 2.262 20 0 BEADRM CC(C)C[C@@H](C)NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000663044646 490324823 /nfs/dbraw/zinc/32/48/23/490324823.db2.gz PMFMWDWNMHTXDR-RNCFNFMXSA-N -1 0 241.331 2.038 20 0 BEADRM CCN(C(=O)CC(C)(C)C(=O)[O-])C1CCCC1 ZINC000087724535 491091434 /nfs/dbraw/zinc/09/14/34/491091434.db2.gz FBPUXZSBKDDMDZ-UHFFFAOYSA-N -1 0 241.331 2.278 20 0 BEADRM CC[C@@H](Sc1nnc(C(C)C)o1)C(=O)[O-] ZINC000382360824 491093894 /nfs/dbraw/zinc/09/38/94/491093894.db2.gz ODMLHKSMGJGHDL-ZCFIWIBFSA-N -1 0 230.289 2.148 20 0 BEADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)C1CCC1 ZINC000138048004 491112274 /nfs/dbraw/zinc/11/22/74/491112274.db2.gz ZMFHYPCPVCMNPG-VIFPVBQESA-N -1 0 247.294 2.303 20 0 BEADRM CCC(CC)(CC)C(=O)N(C)CCC(=O)[O-] ZINC000309679180 491154023 /nfs/dbraw/zinc/15/40/23/491154023.db2.gz MUKVUSLHZYNZOW-UHFFFAOYSA-N -1 0 229.320 2.136 20 0 BEADRM CCCCCC[C@@H](C)C(=O)OCC(=O)[O-] ZINC000144921222 582576096 /nfs/dbraw/zinc/57/60/96/582576096.db2.gz LHMZOADVGNARLF-SECBINFHSA-N -1 0 216.277 2.221 20 0 BEADRM CC[C@@H](C)[C@@H](C)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000262784657 535638519 /nfs/dbraw/zinc/63/85/19/535638519.db2.gz BHHDTZRULTZAAN-CHWFTXMASA-N -1 0 241.331 2.038 20 0 BEADRM CC[C@H](C)[C@@H](C)C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000262917550 536182146 /nfs/dbraw/zinc/18/21/46/536182146.db2.gz IGVGQYIVRAKVTN-NGZCFLSTSA-N -1 0 241.331 2.038 20 0 BEADRM O=C([O-])c1ccc(NC(=O)/C=C\C2CC2)c(F)c1 ZINC000492773559 534544018 /nfs/dbraw/zinc/54/40/18/534544018.db2.gz JITQIYAICLUZQC-UTCJRWHESA-N -1 0 249.241 2.429 20 0 BEADRM CC1(C)C[C@H]1CNC(=O)c1cccc(C(=O)[O-])c1 ZINC000232842187 534917469 /nfs/dbraw/zinc/91/74/69/534917469.db2.gz GBHRWBNUWKYHOJ-NSHDSACASA-N -1 0 247.294 2.161 20 0 BEADRM CC(C)CC[C@@H]1CCCN1C(=O)CCC(=O)[O-] ZINC000262827124 534921928 /nfs/dbraw/zinc/92/19/28/534921928.db2.gz QOAXBDYVIMJYBO-NSHDSACASA-N -1 0 241.331 2.278 20 0 BEADRM CCCC[C@@H](Nc1nc(C(C)C)no1)C(=O)[O-] ZINC000263537483 534939607 /nfs/dbraw/zinc/93/96/07/534939607.db2.gz AIOONAXOBYQXPY-MRVPVSSYSA-N -1 0 241.291 2.248 20 0 BEADRM CCCC[C@H](C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000261546796 534965747 /nfs/dbraw/zinc/96/57/47/534965747.db2.gz HJDAYRRWSKROLN-JTQLQIEISA-N -1 0 243.347 2.430 20 0 BEADRM CCC(CC)(NC(=O)C1=C(C)CCC1)C(=O)[O-] ZINC000342571352 534994172 /nfs/dbraw/zinc/99/41/72/534994172.db2.gz QNLQTXGCVMSDRA-UHFFFAOYSA-N -1 0 239.315 2.246 20 0 BEADRM CCC(CC)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263498222 535005647 /nfs/dbraw/zinc/00/56/47/535005647.db2.gz KDGOSOOBGKGRAT-GXSJLCMTSA-N -1 0 241.331 2.134 20 0 BEADRM CC(C)(CCC(=O)[O-])Nc1ncc(Cl)cn1 ZINC000263403606 535011914 /nfs/dbraw/zinc/01/19/14/535011914.db2.gz JVZINQCUBISTMB-UHFFFAOYSA-N -1 0 243.694 2.185 20 0 BEADRM CCC(CC)CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000262695942 535012512 /nfs/dbraw/zinc/01/25/12/535012512.db2.gz GGGLMWZVKSPSPY-MNOVXSKESA-N -1 0 241.331 2.182 20 0 BEADRM CCC(CC)[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000263306568 535097992 /nfs/dbraw/zinc/09/79/92/535097992.db2.gz FHLNVFLWKGGTOW-KOLCDFICSA-N -1 0 243.347 2.284 20 0 BEADRM CC(C)(CNc1cnc(C(=O)[O-])cn1)C1CCC1 ZINC000263301099 535155113 /nfs/dbraw/zinc/15/51/13/535155113.db2.gz DGHPVAKHIMRIAK-UHFFFAOYSA-N -1 0 249.314 2.413 20 0 BEADRM CC(C)(NC(=O)[C@@H]1CCCC(C)(C)C1)C(=O)[O-] ZINC000263058058 535231815 /nfs/dbraw/zinc/23/18/15/535231815.db2.gz GCHWLMBNQAGBBY-SECBINFHSA-N -1 0 241.331 2.182 20 0 BEADRM CC1(C)CCCC[C@H]1CC(=O)NCCC(=O)[O-] ZINC000263219216 535294331 /nfs/dbraw/zinc/29/43/31/535294331.db2.gz YIFPIEUFOATKRF-JTQLQIEISA-N -1 0 241.331 2.184 20 0 BEADRM CC(C)CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000263386885 535382507 /nfs/dbraw/zinc/38/25/07/535382507.db2.gz CCFABQQESJWRHD-ZJUUUORDSA-N -1 0 243.347 2.284 20 0 BEADRM CC[C@@H](C)CC(=O)N(CC(=O)[O-])[C@H](C)CC ZINC000164213531 535468274 /nfs/dbraw/zinc/46/82/74/535468274.db2.gz BWCLWWPWAGYOQD-NXEZZACHSA-N -1 0 229.320 2.134 20 0 BEADRM CCC[C@H](C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])C(C)C ZINC000263533312 535583985 /nfs/dbraw/zinc/58/39/85/535583985.db2.gz NLFLANHKTOUSEF-VWYCJHECSA-N -1 0 243.347 2.284 20 0 BEADRM CCC[C@H](C)CC(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000263480047 535603901 /nfs/dbraw/zinc/60/39/01/535603901.db2.gz UJLPNCZFUNEXFL-GWCFXTLKSA-N -1 0 241.331 2.278 20 0 BEADRM CCC[C@H](C)CC(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC000263407410 535607116 /nfs/dbraw/zinc/60/71/16/535607116.db2.gz GIFNYTGLEJGGLQ-GUBZILKMSA-N -1 0 229.320 2.038 20 0 BEADRM CCC[C@H](C)CC(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000262202638 535607320 /nfs/dbraw/zinc/60/73/20/535607320.db2.gz VHCPFRKCUBUBOO-ONGXEEELSA-N -1 0 241.331 2.182 20 0 BEADRM CC[C@@H](C)[C@@H](C)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000262798259 535632994 /nfs/dbraw/zinc/63/29/94/535632994.db2.gz RDJIRKFCFUCKHX-NXEZZACHSA-N -1 0 243.347 2.428 20 0 BEADRM CC[C@@H](C)[C@@H](C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000262975308 535635391 /nfs/dbraw/zinc/63/53/91/535635391.db2.gz KGJHBFMYEUCVKD-NXEZZACHSA-N -1 0 243.347 2.286 20 0 BEADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)[C@H](C)C(=O)[O-] ZINC000263551205 535655950 /nfs/dbraw/zinc/65/59/50/535655950.db2.gz KZFVKTHFTBIIJR-DCAQKATOSA-N -1 0 241.331 2.134 20 0 BEADRM CC[C@H](C)[C@H](Nc1ncccc1F)C(=O)[O-] ZINC000261588397 535985387 /nfs/dbraw/zinc/98/53/87/535985387.db2.gz SJDYSMRQLALEDV-CBAPKCEASA-N -1 0 226.251 2.132 20 0 BEADRM CC[C@@](C)(NC(=O)C[C@H](C)CC(C)C)C(=O)[O-] ZINC000262393784 535993678 /nfs/dbraw/zinc/99/36/78/535993678.db2.gz GHELVIQZAHVMTR-ZWNOBZJWSA-N -1 0 243.347 2.428 20 0 BEADRM CC[C@H](CC(=O)NC[C@@H](C)CC(=O)[O-])C(C)C ZINC000262283757 536066297 /nfs/dbraw/zinc/06/62/97/536066297.db2.gz YZKURSFRFAFTOZ-WDEREUQCSA-N -1 0 243.347 2.286 20 0 BEADRM CC[C@H](C)[C@@H](C)C(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC000263279079 536180539 /nfs/dbraw/zinc/18/05/39/536180539.db2.gz RIMMPPORWKAMDH-IVZWLZJFSA-N -1 0 241.331 2.133 20 0 BEADRM CCCCCC[C@@H](CC)Oc1c([O-])c(=O)c1=O ZINC001226607340 974978057 /nfs/dbraw/zinc/97/80/57/974978057.db2.gz QFARKBPLPCHBPK-SECBINFHSA-N -1 0 240.299 2.116 20 0 BEADRM CCC[C@H](C)NC(=O)NC(CC)(CC)C(=O)[O-] ZINC000094241437 566354908 /nfs/dbraw/zinc/35/49/08/566354908.db2.gz WXQDVRYTJBLVJQ-VIFPVBQESA-N -1 0 244.335 2.118 20 0 BEADRM CO[C@H](C(=O)[N-]OCC1CC1)C1CCCCC1 ZINC000854638549 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/nfs/dbraw/zinc/12/54/08/587125408.db2.gz CBNNVBVAMAAGOG-SNVBAGLBSA-N -1 0 240.299 2.365 20 0 BEADRM O=C([O-])c1ccc(C(=O)OC/C=C/Cl)cc1 ZINC000821544266 587127354 /nfs/dbraw/zinc/12/73/54/587127354.db2.gz DIUPBHJLLBPUDY-LZCJLJQNSA-N -1 0 240.642 2.294 20 0 BEADRM O=C([O-])c1ccc(C(=O)OCC(F)(F)F)cc1 ZINC000821544382 587127486 /nfs/dbraw/zinc/12/74/86/587127486.db2.gz HNGYJICWADSZCN-UHFFFAOYSA-N -1 0 248.156 2.104 20 0 BEADRM CC1(C)C[C@@H]1NC(=O)c1cccc(F)c1[O-] ZINC000822635785 587178506 /nfs/dbraw/zinc/17/85/06/587178506.db2.gz GPAXIGBSWAIGAI-VIFPVBQESA-N -1 0 223.247 2.060 20 0 BEADRM C/C(=C\C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])C(C)(C)C ZINC000823333981 587216785 /nfs/dbraw/zinc/21/67/85/587216785.db2.gz WMLSUUBYZLHHAS-WENXHQBNSA-N -1 0 241.331 2.204 20 0 BEADRM C/C(=C/C(=O)OCCN(C)C(=O)[O-])C(C)(C)C ZINC000823526599 587229229 /nfs/dbraw/zinc/22/92/29/587229229.db2.gz BNNDRJZUQDVAPH-HJWRWDBZSA-N -1 0 243.303 2.132 20 0 BEADRM CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000823785754 587240655 /nfs/dbraw/zinc/24/06/55/587240655.db2.gz RGPMSTXFIMFWTH-SECBINFHSA-N -1 0 243.303 2.108 20 0 BEADRM CC(C)C(=O)OCc1cccc(NC(=O)[O-])c1 ZINC000824050161 587251666 /nfs/dbraw/zinc/25/16/66/587251666.db2.gz ZGFQQSYHOXKYFV-UHFFFAOYSA-N -1 0 237.255 2.476 20 0 BEADRM CC(C)CC(=O)O[C@H](C)[C@H]1CCCN1C(=O)[O-] ZINC000824170691 587259483 /nfs/dbraw/zinc/25/94/83/587259483.db2.gz QYUZZNMQPGOLNZ-NXEZZACHSA-N -1 0 243.303 2.107 20 0 BEADRM CC(C)CC(C)(C)C(=O)OC[C@@H](C)NC(=O)[O-] ZINC000824175805 587259566 /nfs/dbraw/zinc/25/95/66/587259566.db2.gz FIDJBHUJUIEWPZ-SECBINFHSA-N -1 0 245.319 2.258 20 0 BEADRM CC(C)CC(=O)O[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000824170404 587259579 /nfs/dbraw/zinc/25/95/79/587259579.db2.gz MBXJAPQATHKMSZ-UWVGGRQHSA-N -1 0 243.303 2.012 20 0 BEADRM CC(C)COC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000824268314 587264022 /nfs/dbraw/zinc/26/40/22/587264022.db2.gz NBIRFLQKTFQFTP-NXEZZACHSA-N -1 0 243.303 2.012 20 0 BEADRM C[C@H](CC(=O)OCCC(C)(C)C)NC(=O)[O-] ZINC000824730209 587284846 /nfs/dbraw/zinc/28/48/46/587284846.db2.gz WNAZFEBFTZQAKQ-MRVPVSSYSA-N -1 0 231.292 2.012 20 0 BEADRM C[C@@H](COC(=O)C1CCCCCC1)NC(=O)[O-] ZINC000824986256 587297162 /nfs/dbraw/zinc/29/71/62/587297162.db2.gz GBNDNWUGEMSUTN-VIFPVBQESA-N -1 0 243.303 2.156 20 0 BEADRM CCCC[C@](C)(F)C(=O)[N-]O[C@H]1CCCCO1 ZINC000825027022 587299673 /nfs/dbraw/zinc/29/96/73/587299673.db2.gz SJQIFXQEICRDCM-JQWIXIFHSA-N -1 0 247.310 2.479 20 0 BEADRM C[C@H](NC(=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000825372947 587317497 /nfs/dbraw/zinc/31/74/97/587317497.db2.gz UCSKVEWUQJPDSI-VHSKPIJISA-N -1 0 221.256 2.207 20 0 BEADRM C/C(=C\COC(=O)CCC(C)(C)C)C(=O)[O-] ZINC000825758204 587337349 /nfs/dbraw/zinc/33/73/49/587337349.db2.gz FYSOIUCAGRXZRC-RMKNXTFCSA-N -1 0 228.288 2.387 20 0 BEADRM C/C(=C\COC(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000825758967 587337810 /nfs/dbraw/zinc/33/78/10/587337810.db2.gz SYPZZXHILLTOOF-MFDVASPDSA-N -1 0 246.262 2.274 20 0 BEADRM C/C(=C/COC(=O)CSC(C)(C)C)C(=O)[O-] ZINC000825765792 587338526 /nfs/dbraw/zinc/33/85/26/587338526.db2.gz XHFBLUDXDWEVDR-YVMONPNESA-N -1 0 246.328 2.092 20 0 BEADRM C/C(=C/COC(=O)Cc1cccc(C)c1)C(=O)[O-] ZINC000825768997 587338577 /nfs/dbraw/zinc/33/85/77/587338577.db2.gz FJKWLSVNYHNGSP-WDZFZDKYSA-N -1 0 248.278 2.112 20 0 BEADRM C[C@H](NC(=O)[O-])C(=O)OC1C[C@H](C)C[C@@H](C)C1 ZINC000825783815 587338993 /nfs/dbraw/zinc/33/89/93/587338993.db2.gz PFXKQVKXZKLGGT-HLTSFMKQSA-N -1 0 243.303 2.010 20 0 BEADRM C/C(=C/CSCC(=O)C(C)(C)C)C(=O)[O-] ZINC000825786473 587339447 /nfs/dbraw/zinc/33/94/47/587339447.db2.gz JZNAJTJLNHQADD-YVMONPNESA-N -1 0 230.329 2.366 20 0 BEADRM C/C(=C\Cn1c(=O)sc2ccccc21)C(=O)[O-] ZINC000825793125 587339462 /nfs/dbraw/zinc/33/94/62/587339462.db2.gz NBWMAQIKHPZORY-SOFGYWHQSA-N -1 0 249.291 2.094 20 0 BEADRM CC(=O)CSCc1ccc(C(=O)[O-])s1 ZINC000825814205 587340259 /nfs/dbraw/zinc/34/02/59/587340259.db2.gz ZPLLPTSTMBKZJY-UHFFFAOYSA-N -1 0 230.310 2.269 20 0 BEADRM CC(=O)CS[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000825813659 587340261 /nfs/dbraw/zinc/34/02/61/587340261.db2.gz OVKOOVMJOKVHOA-ZETCQYMHSA-N -1 0 228.269 2.361 20 0 BEADRM CC(=O)CSCc1ccc(C(=O)[O-])c(F)c1 ZINC000825813796 587340363 /nfs/dbraw/zinc/34/03/63/587340363.db2.gz RRHFBXSMGXLABE-UHFFFAOYSA-N -1 0 242.271 2.346 20 0 BEADRM C[C@H](COC(=O)C[C@@H]1CC[C@@H](C)C1)NC(=O)[O-] ZINC000825872936 587343195 /nfs/dbraw/zinc/34/31/95/587343195.db2.gz QOUGRTNZSMZOAW-OPRDCNLKSA-N -1 0 243.303 2.012 20 0 BEADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000826061418 587349909 /nfs/dbraw/zinc/34/99/09/587349909.db2.gz RTYFJJWGQWCXHU-BXKDBHETSA-N -1 0 248.278 2.402 20 0 BEADRM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])o1)C1CC1 ZINC000826064803 587350179 /nfs/dbraw/zinc/35/01/79/587350179.db2.gz PQITXHQEPPWMMH-SSDOTTSWSA-N -1 0 238.239 2.067 20 0 BEADRM C[C@H](C(=O)OCc1occc1C(=O)[O-])C1CC1 ZINC000826071058 587350318 /nfs/dbraw/zinc/35/03/18/587350318.db2.gz HLYWERVIXLPFHN-ZETCQYMHSA-N -1 0 238.239 2.067 20 0 BEADRM C[C@H](C(=O)OCc1ccoc1C(=O)[O-])C1CC1 ZINC000826071119 587350448 /nfs/dbraw/zinc/35/04/48/587350448.db2.gz IMZZHJRCSUVMQV-ZETCQYMHSA-N -1 0 238.239 2.067 20 0 BEADRM CCC(CC)OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000826575026 587355550 /nfs/dbraw/zinc/35/55/50/587355550.db2.gz DHCRESIOJJCJRH-BDAKNGLRSA-N -1 0 243.303 2.155 20 0 BEADRM CC[C@H](CNC(=O)[O-])Oc1cccc(F)c1 ZINC000826587088 587355753 /nfs/dbraw/zinc/35/57/53/587355753.db2.gz NIAFPTJTFHJOLR-SECBINFHSA-N -1 0 227.235 2.251 20 0 BEADRM CC(C)=C(C)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000826642360 587357365 /nfs/dbraw/zinc/35/73/65/587357365.db2.gz WWWGUYRPZADULW-UHFFFAOYSA-N -1 0 236.271 2.316 20 0 BEADRM CC(C)[C@H](C)OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826680100 587359154 /nfs/dbraw/zinc/35/91/54/587359154.db2.gz ASSFYSCSLWZPSW-DCAQKATOSA-N -1 0 242.315 2.465 20 0 BEADRM CC/C=C/CCOC(=O)C(C)(C)CNC(=O)[O-] ZINC000826698675 587359248 /nfs/dbraw/zinc/35/92/48/587359248.db2.gz HJSKGQSEJZKCIF-AATRIKPKSA-N -1 0 243.303 2.180 20 0 BEADRM CC/C=C/COC(=O)CC1(NC(=O)[O-])CCC1 ZINC000826699295 587359331 /nfs/dbraw/zinc/35/93/31/587359331.db2.gz KYFYTDKYQGGQKR-ONEGZZNKSA-N -1 0 241.287 2.076 20 0 BEADRM CCC[C@H](C)OC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000826735804 587360650 /nfs/dbraw/zinc/36/06/50/587360650.db2.gz QEERDZCGHGBPON-VHSXEESVSA-N -1 0 243.303 2.108 20 0 BEADRM CCC[C@@H](C)OC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000826735805 587360704 /nfs/dbraw/zinc/36/07/04/587360704.db2.gz QEERDZCGHGBPON-ZJUUUORDSA-N -1 0 243.303 2.108 20 0 BEADRM CCC[C@H](NC(=O)[O-])C(=O)O[C@H](C)C1CCC1 ZINC000826757445 587361436 /nfs/dbraw/zinc/36/14/36/587361436.db2.gz GRHPKJMNPBGLTE-SCZZXKLOSA-N -1 0 243.303 2.155 20 0 BEADRM CC(C)C[C@H](C)OC(=O)[C@@H](C)CC(=O)[O-] ZINC000826759266 587361444 /nfs/dbraw/zinc/36/14/44/587361444.db2.gz BTJFHCHPPDLWSJ-IUCAKERBSA-N -1 0 216.277 2.075 20 0 BEADRM CCCC[C@H](CCC)NC(=O)[C@@H](C)NC(=O)[O-] ZINC000826782123 587362121 /nfs/dbraw/zinc/36/21/21/587362121.db2.gz WPOBCBZHXAPKAQ-ZJUUUORDSA-N -1 0 244.335 2.118 20 0 BEADRM CC(C)C[C@@H](OC(=O)[C@@H]1CC12CCC2)C(=O)[O-] ZINC000826812068 587363036 /nfs/dbraw/zinc/36/30/36/587363036.db2.gz HFJGZNSGTIMGQS-VHSXEESVSA-N -1 0 240.299 2.219 20 0 BEADRM CC(C)C[C@H](OC(=O)C=C1CCC1)C(=O)[O-] ZINC000826813867 587363310 /nfs/dbraw/zinc/36/33/10/587363310.db2.gz QDSSQKNYPAYODG-JTQLQIEISA-N -1 0 226.272 2.139 20 0 BEADRM CCCCOC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000826841718 587363940 /nfs/dbraw/zinc/36/39/40/587363940.db2.gz AMHATCPOYYEVEC-NXEZZACHSA-N -1 0 243.303 2.156 20 0 BEADRM CCCOC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000826931203 587365897 /nfs/dbraw/zinc/36/58/97/587365897.db2.gz LYKXNCOBUCMXFB-UHFFFAOYSA-N -1 0 237.255 2.124 20 0 BEADRM CCCON=C(N)c1cccc(NC(=O)[O-])c1 ZINC000826936113 587366150 /nfs/dbraw/zinc/36/61/50/587366150.db2.gz XFGDUVXJGAVACV-UHFFFAOYSA-N -1 0 237.259 2.033 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)N1C[C@@H](C)c2ccccc21 ZINC000827247758 587373916 /nfs/dbraw/zinc/37/39/16/587373916.db2.gz QORKTMTWLBDCHE-NXEZZACHSA-N -1 0 247.294 2.248 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)N1CCCC(C)(C)CC1 ZINC000827256142 587374221 /nfs/dbraw/zinc/37/42/21/587374221.db2.gz HZLJOCRXVICPHR-SNVBAGLBSA-N -1 0 241.331 2.136 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)N1Cc2ccccc2[C@H]1C ZINC000827261899 587374500 /nfs/dbraw/zinc/37/45/00/587374500.db2.gz CLVJRTMTRSEJEE-NXEZZACHSA-N -1 0 247.294 2.201 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000827270443 587374660 /nfs/dbraw/zinc/37/46/60/587374660.db2.gz AIAJOLBXZHXSMY-LNFKQOIKSA-N -1 0 241.331 2.038 20 0 BEADRM C[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c1cccs1 ZINC000827271965 587374676 /nfs/dbraw/zinc/37/46/76/587374676.db2.gz MIJBAPRRHAXRKE-JGVFFNPUSA-N -1 0 241.312 2.036 20 0 BEADRM C[C@@H](CC(=O)[O-])C(=O)NCC1(C)CCCCC1 ZINC000827281133 587375206 /nfs/dbraw/zinc/37/52/06/587375206.db2.gz NQLOTIWDUGVDPZ-JTQLQIEISA-N -1 0 241.331 2.184 20 0 BEADRM CCOC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000827295815 587376111 /nfs/dbraw/zinc/37/61/11/587376111.db2.gz CXBFMOZHKGVRGB-NXEZZACHSA-N -1 0 243.303 2.156 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc2[nH]ccc2c1 ZINC000827311749 587376744 /nfs/dbraw/zinc/37/67/44/587376744.db2.gz WUVCEYZIFSKBFJ-MRVPVSSYSA-N -1 0 246.266 2.217 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)O[C@@H]1CCc2ccccc21 ZINC000827334135 587377573 /nfs/dbraw/zinc/37/75/73/587377573.db2.gz RJKFXOVTSOEFHZ-BXKDBHETSA-N -1 0 248.278 2.328 20 0 BEADRM C[C@@H](CC(=O)[O-])C(=O)OC/C=C\c1ccccc1 ZINC000827341710 587377710 /nfs/dbraw/zinc/37/77/10/587377710.db2.gz KWVKKCXSGCBEPN-OFSNVTPPSA-N -1 0 248.278 2.354 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)OC/C=C/c1ccccc1 ZINC000827341708 587377795 /nfs/dbraw/zinc/37/77/95/587377795.db2.gz KWVKKCXSGCBEPN-AYLMVEPYSA-N -1 0 248.278 2.354 20 0 BEADRM C[C@@H](CC(=O)[O-])C(=O)OCC1CCCCC1 ZINC000827341557 587377820 /nfs/dbraw/zinc/37/78/20/587377820.db2.gz HOJIFQPHYDKHMP-VIFPVBQESA-N -1 0 228.288 2.221 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)Oc1ccc2c(c1)CCC2 ZINC000827350468 587377928 /nfs/dbraw/zinc/37/79/28/587377928.db2.gz ZICQRACDSJKXCL-SECBINFHSA-N -1 0 248.278 2.192 20 0 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/nfs/dbraw/zinc/18/54/53/135185453.db2.gz DRVGLQQKQUKIJG-SNVBAGLBSA-N -1 0 241.331 2.182 20 0 BEADRM CC(C)[C@H](C)N(C)C(=O)CC1(C(=O)[O-])CCC1 ZINC000261544952 135186124 /nfs/dbraw/zinc/18/61/24/135186124.db2.gz FJOOOPISUAAYHW-JTQLQIEISA-N -1 0 241.331 2.134 20 0 BEADRM CCCC[C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC ZINC000261551265 135189844 /nfs/dbraw/zinc/18/98/44/135189844.db2.gz LZDAFBUUZOJMLX-AXFHLTTASA-N -1 0 243.347 2.428 20 0 BEADRM O=C(CC1(C(=O)[O-])CCC1)NC1CCCCC1 ZINC000261552241 135191311 /nfs/dbraw/zinc/19/13/11/135191311.db2.gz MTAFGLHXNKTNAG-UHFFFAOYSA-N -1 0 239.315 2.080 20 0 BEADRM CCC1(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC000261561306 135202800 /nfs/dbraw/zinc/20/28/00/135202800.db2.gz FUOWJDSEWXARBO-UHFFFAOYSA-N -1 0 247.294 2.442 20 0 BEADRM CCCC[C@@H](C)C(=O)N(C)C(C)(C)C(=O)[O-] ZINC000261564419 135205894 /nfs/dbraw/zinc/20/58/94/135205894.db2.gz CNEHPDZKDQUZSZ-SECBINFHSA-N -1 0 229.320 2.134 20 0 BEADRM CC[C@H](C)CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000164201467 135216342 /nfs/dbraw/zinc/21/63/42/135216342.db2.gz PDHKZEYBFNSPKA-VHSXEESVSA-N -1 0 229.320 2.038 20 0 BEADRM C[C@H]1CC[C@H](C)N1C(=O)CCCCC(=O)[O-] ZINC000261580226 135220484 /nfs/dbraw/zinc/22/04/84/135220484.db2.gz MUTSFIDDSJXCJL-UWVGGRQHSA-N -1 0 227.304 2.031 20 0 BEADRM Cc1cscc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000261585144 135225699 /nfs/dbraw/zinc/22/56/99/135225699.db2.gz QGHMVRKSQGUWHZ-JGVFFNPUSA-N -1 0 239.296 2.106 20 0 BEADRM CC[C@@H](C)[C@H](C)C(=O)NCCCCC(=O)[O-] ZINC000261590939 135231847 /nfs/dbraw/zinc/23/18/47/135231847.db2.gz UWLXBXNGYUFVSP-ZJUUUORDSA-N -1 0 229.320 2.040 20 0 BEADRM CCC(CC)(CC(=O)[O-])NC(=O)C1CCCC1 ZINC000262056620 135276661 /nfs/dbraw/zinc/27/66/61/135276661.db2.gz ASLNMETULZUWTO-UHFFFAOYSA-N -1 0 241.331 2.326 20 0 BEADRM CCC[C@@](C)(NC(=O)C1=C(C)CCC1)C(=O)[O-] ZINC000262068179 135276964 /nfs/dbraw/zinc/27/69/64/135276964.db2.gz COIJKEYKTHZHGT-CYBMUJFWSA-N -1 0 239.315 2.246 20 0 BEADRM CC(C)C[C@H](Nc1nc2ccccc2[nH]1)C(=O)[O-] ZINC000262113338 135279872 /nfs/dbraw/zinc/27/98/72/135279872.db2.gz KRHNVPPMPKAESG-NSHDSACASA-N -1 0 247.298 2.474 20 0 BEADRM CC[C@H]1CC[C@H](C(=O)N(CC)CC(=O)[O-])CC1 ZINC000262160053 135283133 /nfs/dbraw/zinc/28/31/33/135283133.db2.gz GVNZHNOMSUBQCG-XYPYZODXSA-N -1 0 241.331 2.136 20 0 BEADRM CC1=C(C(=O)N[C@H](CC(C)C)C(=O)[O-])CCC1 ZINC000262177777 135284121 /nfs/dbraw/zinc/28/41/21/135284121.db2.gz REROHHHDJORXEG-LLVKDONJSA-N -1 0 239.315 2.102 20 0 BEADRM Cc1ccc2c(C)cc(N(C)CC(=O)[O-])nc2c1 ZINC000262188992 135284874 /nfs/dbraw/zinc/28/48/74/135284874.db2.gz YGMPADSSYUKJKB-UHFFFAOYSA-N -1 0 244.294 2.372 20 0 BEADRM C[C@@H](C(=O)[O-])N(C(=O)C1CCCCC1)C1CC1 ZINC000262483570 135301601 /nfs/dbraw/zinc/30/16/01/135301601.db2.gz UYTPHDMLVPXXAJ-VIFPVBQESA-N -1 0 239.315 2.031 20 0 BEADRM CCC[C@H](C)CC(=O)NC1(CC(=O)[O-])CCC1 ZINC000262519723 135304261 /nfs/dbraw/zinc/30/42/61/135304261.db2.gz QKHGDRARQJFUGL-JTQLQIEISA-N -1 0 241.331 2.326 20 0 BEADRM O=C([O-])CN1CC2(CCC2)c2c1cccc2F ZINC000262682345 135313139 /nfs/dbraw/zinc/31/31/39/135313139.db2.gz WNLHTCJEWSMBMW-UHFFFAOYSA-N -1 0 235.258 2.152 20 0 BEADRM C[C@@H](CC(=O)[O-])NC(=O)C(C)(C)C1CCCC1 ZINC000262737404 135316279 /nfs/dbraw/zinc/31/62/79/135316279.db2.gz FVRFHRMAQRLQQM-VIFPVBQESA-N -1 0 241.331 2.182 20 0 BEADRM CC[C@H](C)[C@@H](C)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000262798261 135318918 /nfs/dbraw/zinc/31/89/18/135318918.db2.gz RDJIRKFCFUCKHX-VHSXEESVSA-N -1 0 243.347 2.428 20 0 BEADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)C1CCCC1 ZINC000262909853 135322973 /nfs/dbraw/zinc/32/29/73/135322973.db2.gz IPXBAEGOFVVOJG-ZDUSSCGKSA-N -1 0 241.331 2.182 20 0 BEADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)C1CCCC1 ZINC000262909852 135323608 /nfs/dbraw/zinc/32/36/08/135323608.db2.gz IPXBAEGOFVVOJG-CYBMUJFWSA-N -1 0 241.331 2.182 20 0 BEADRM C[C@@H]1CCN(c2cnc(C(=O)[O-])cn2)CC1(C)C ZINC000262969352 135326020 /nfs/dbraw/zinc/32/60/20/135326020.db2.gz AXQPJYVNAORPGS-SECBINFHSA-N -1 0 249.314 2.047 20 0 BEADRM C[C@H]1CCCC[C@@H]1C(=O)NCC(C)(C)C(=O)[O-] ZINC000263008758 135326444 /nfs/dbraw/zinc/32/64/44/135326444.db2.gz BBPWXNTULKADDL-UWVGGRQHSA-N -1 0 241.331 2.040 20 0 BEADRM C[C@H](CNC(=O)[C@@H]1CCCC(C)(C)C1)C(=O)[O-] ZINC000263034623 135327967 /nfs/dbraw/zinc/32/79/67/135327967.db2.gz CZQCJLWATYEOJK-NXEZZACHSA-N -1 0 241.331 2.040 20 0 BEADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000263048749 135329378 /nfs/dbraw/zinc/32/93/78/135329378.db2.gz DRRVVYSKNATBSD-QMMMGPOBSA-N -1 0 233.267 2.223 20 0 BEADRM CC(C)CC(C)(C)C(=O)N(C)CCCC(=O)[O-] ZINC000263062479 135330661 /nfs/dbraw/zinc/33/06/61/135330661.db2.gz HUPNKXAJECVFDN-UHFFFAOYSA-N -1 0 243.347 2.382 20 0 BEADRM Cc1cc(NC(=O)[C@@H]2CC23CC3)ccc1C(=O)[O-] ZINC000263098218 135332657 /nfs/dbraw/zinc/33/26/57/135332657.db2.gz CPIPXPSFCUIABJ-NSHDSACASA-N -1 0 245.278 2.432 20 0 BEADRM CC[C@H](C)CC(=O)N(CCC(=O)[O-])CC(C)C ZINC000263105235 135333552 /nfs/dbraw/zinc/33/35/52/135333552.db2.gz JGCAEGUKDJNSTC-NSHDSACASA-N -1 0 243.347 2.382 20 0 BEADRM C[C@@H]1CCCC[C@@H]1C(=O)NCCCCC(=O)[O-] ZINC000263112136 135333661 /nfs/dbraw/zinc/33/36/61/135333661.db2.gz YUCMJIIDOWKPBJ-MNOVXSKESA-N -1 0 241.331 2.184 20 0 BEADRM CCC[C@](C)(NC(=O)[C@@H]1C[C@@]1(C)CC)C(=O)[O-] ZINC000263124572 135334468 /nfs/dbraw/zinc/33/44/68/135334468.db2.gz KWPYQNPZUHCETM-BIMULSAOSA-N -1 0 241.331 2.182 20 0 BEADRM O=C([O-])[C@@H]1CCCN1Cc1ccsc1Cl ZINC000263130140 135334880 /nfs/dbraw/zinc/33/48/80/135334880.db2.gz LMBVOHSMYHIIFP-QMMMGPOBSA-N -1 0 245.731 2.451 20 0 BEADRM CCC[C@H](C(=O)N[C@@](C)(CC)C(=O)[O-])C(C)C ZINC000263144627 135335534 /nfs/dbraw/zinc/33/55/34/135335534.db2.gz MZGVJDJWDBRFHI-GWCFXTLKSA-N -1 0 243.347 2.428 20 0 BEADRM CCC[C@H](Nc1ccnc2cccnc21)C(=O)[O-] ZINC000263142989 135335880 /nfs/dbraw/zinc/33/58/80/135335880.db2.gz JWYKJSKNFRWYQB-NSHDSACASA-N -1 0 245.282 2.295 20 0 BEADRM CC[C@@H](CC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C(C)C ZINC000263197337 135338552 /nfs/dbraw/zinc/33/85/52/135338552.db2.gz JJNLAKJXEZZXAR-GARJFASQSA-N -1 0 241.331 2.038 20 0 BEADRM Cc1cc(C(=O)[O-])cc(C(=O)NCC2(C)CC2)c1 ZINC000263189822 135338616 /nfs/dbraw/zinc/33/86/16/135338616.db2.gz ILEUUNMZPHKVRG-UHFFFAOYSA-N -1 0 247.294 2.223 20 0 BEADRM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000263210542 135340049 /nfs/dbraw/zinc/34/00/49/135340049.db2.gz WOZBIQQVDLJGGQ-VHSXEESVSA-N -1 0 241.331 2.134 20 0 BEADRM CCC[C@@H](C(=O)N(CC)CCC(=O)[O-])C(C)C ZINC000263219195 135340331 /nfs/dbraw/zinc/34/03/31/135340331.db2.gz YHQZCRMACODUDZ-LLVKDONJSA-N -1 0 243.347 2.382 20 0 BEADRM CCC[C@@H](C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C ZINC000263225525 135340838 /nfs/dbraw/zinc/34/08/38/135340838.db2.gz ZYTSKUZGMHFKEX-MNOVXSKESA-N -1 0 243.347 2.284 20 0 BEADRM O=C([O-])c1cccc(N2CCC3(CCC3)C2)n1 ZINC000263303778 135344925 /nfs/dbraw/zinc/34/49/25/135344925.db2.gz DRVNXIOKRUZMQY-UHFFFAOYSA-N -1 0 232.283 2.160 20 0 BEADRM Cc1cc(C(=O)[O-])cc(C(=O)NC2CC(C)C2)c1 ZINC000263295227 135345406 /nfs/dbraw/zinc/34/54/06/135345406.db2.gz MXPIKUNSYVAYAG-UHFFFAOYSA-N -1 0 247.294 2.222 20 0 BEADRM CCC(CC)[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000263306570 135345657 /nfs/dbraw/zinc/34/56/57/135345657.db2.gz FHLNVFLWKGGTOW-ONGXEEELSA-N -1 0 243.347 2.284 20 0 BEADRM Cc1cnc(N[C@H](CC(C)C)C(=O)[O-])nc1C ZINC000263325664 135346377 /nfs/dbraw/zinc/34/63/77/135346377.db2.gz KGXPYZVZQDRJRF-SNVBAGLBSA-N -1 0 237.303 2.005 20 0 BEADRM Cc1cnc(NC2CCC(C(=O)[O-])CC2)nc1C ZINC000263317147 135346550 /nfs/dbraw/zinc/34/65/50/135346550.db2.gz HWMSCEIKACLTPL-UHFFFAOYSA-N -1 0 249.314 2.149 20 0 BEADRM Cc1cnc(N[C@@H](CC(C)C)C(=O)[O-])nc1C ZINC000263325663 135346661 /nfs/dbraw/zinc/34/66/61/135346661.db2.gz KGXPYZVZQDRJRF-JTQLQIEISA-N -1 0 237.303 2.005 20 0 BEADRM C[C@H](N(C)C(=O)CCCCC(=O)[O-])C1(C)CC1 ZINC000263321867 135346864 /nfs/dbraw/zinc/34/68/64/135346864.db2.gz ROMHOWYHFFCFNG-JTQLQIEISA-N -1 0 241.331 2.278 20 0 BEADRM Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)[O-])c1F ZINC000263332640 135347122 /nfs/dbraw/zinc/34/71/22/135347122.db2.gz MMTUDZAGZRNDAF-VIFPVBQESA-N -1 0 225.263 2.039 20 0 BEADRM CCC(CC)[C@H](C)C(=O)NCCCCC(=O)[O-] ZINC000263329989 135347522 /nfs/dbraw/zinc/34/75/22/135347522.db2.gz LURKTZBPABFSGY-JTQLQIEISA-N -1 0 243.347 2.430 20 0 BEADRM C[C@@H]1CCN(c2cccc(C(=O)[O-])n2)[C@@H]1C ZINC000263336890 135347682 /nfs/dbraw/zinc/34/76/82/135347682.db2.gz NTPLVAGFRKTKMH-RKDXNWHRSA-N -1 0 220.272 2.015 20 0 BEADRM CCC[C@H](NC(=O)[C@@H](C)C(CC)CC)C(=O)[O-] ZINC000263354092 135348777 /nfs/dbraw/zinc/34/87/77/135348777.db2.gz QVKWZOUFTYXQHH-ONGXEEELSA-N -1 0 243.347 2.428 20 0 BEADRM C[C@H](CCC(C)(C)C)NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000263355746 135348944 /nfs/dbraw/zinc/34/89/44/135348944.db2.gz RNYJMVLOMJZEAB-KXUCPTDWSA-N -1 0 241.331 2.038 20 0 BEADRM CC(C)[C@@H](Nc1ccnc2cccnc21)C(=O)[O-] ZINC000263385214 135350422 /nfs/dbraw/zinc/35/04/22/135350422.db2.gz DQBMJYOSDYHADK-LLVKDONJSA-N -1 0 245.282 2.151 20 0 BEADRM O=C(c1c([O-])cccc1F)N1CCCCCO1 ZINC000334310035 135350592 /nfs/dbraw/zinc/35/05/92/135350592.db2.gz IWVIPJWIABEMPA-UHFFFAOYSA-N -1 0 239.246 2.089 20 0 BEADRM O=C([O-])[C@H]1CCCN1c1ccnc2ccsc21 ZINC000263403652 135352095 /nfs/dbraw/zinc/35/20/95/135352095.db2.gz JWUSVVUBLPGTAT-SNVBAGLBSA-N -1 0 248.307 2.350 20 0 BEADRM CCCCCC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263400192 135352285 /nfs/dbraw/zinc/35/22/85/135352285.db2.gz ZXHHBJPEZSNCHA-GHMZBOCLSA-N -1 0 241.331 2.136 20 0 BEADRM C[C@H](CCC1CC1)Nc1cnc(C(=O)[O-])cn1 ZINC000263413312 135352581 /nfs/dbraw/zinc/35/25/81/135352581.db2.gz NBSVMQIRCPITLT-MRVPVSSYSA-N -1 0 235.287 2.165 20 0 BEADRM CC[C@H](CC(=O)NCC1(C(=O)[O-])CC1)C(C)C ZINC000263421778 135352892 /nfs/dbraw/zinc/35/28/92/135352892.db2.gz IYZALLXGBIOHLN-SNVBAGLBSA-N -1 0 241.331 2.040 20 0 BEADRM O=C([O-])c1cccc(NCCC2(F)CCC2)n1 ZINC000263436207 135354193 /nfs/dbraw/zinc/35/41/93/135354193.db2.gz VKEFHFWHQGDRGS-UHFFFAOYSA-N -1 0 238.262 2.474 20 0 BEADRM CC(C)C[C@@H](Nc1ccnc(C2CC2)n1)C(=O)[O-] ZINC000263477253 135356676 /nfs/dbraw/zinc/35/66/76/135356676.db2.gz FOFYYVWFBRVMLZ-SNVBAGLBSA-N -1 0 249.314 2.265 20 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/nfs/dbraw/zinc/56/53/71/584565371.db2.gz IKNXHELPJYTITI-KBUNVGBDSA-N -1 0 239.296 2.106 20 0 BEADRM CC(C)CCC(=O)NCc1ccccc1C(=O)[O-] ZINC000902357892 584570096 /nfs/dbraw/zinc/57/00/96/584570096.db2.gz CYTAXKBSOHUALK-UHFFFAOYSA-N -1 0 249.310 2.437 20 0 BEADRM C[C@H]1CCC(C)(C)N1C(=O)CCCCC(=O)[O-] ZINC000902672682 584651904 /nfs/dbraw/zinc/65/19/04/584651904.db2.gz SFTZYWXUFMMMET-JTQLQIEISA-N -1 0 241.331 2.421 20 0 BEADRM CCC[C@H](C)CCNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000902680365 584652953 /nfs/dbraw/zinc/65/29/53/584652953.db2.gz RRUPOBZZCIOVFY-GXSJLCMTSA-N -1 0 241.331 2.040 20 0 BEADRM CCC[C@H](C)CCNC(=O)[C@H](C(=O)[O-])C(C)C ZINC000902679858 584652978 /nfs/dbraw/zinc/65/29/78/584652978.db2.gz JHGPDGYCRJPTDJ-WDEREUQCSA-N -1 0 243.347 2.286 20 0 BEADRM CCC[C@H](C)CCNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000902680368 584653123 /nfs/dbraw/zinc/65/31/23/584653123.db2.gz RRUPOBZZCIOVFY-ONGXEEELSA-N -1 0 241.331 2.040 20 0 BEADRM C[C@H](C(=O)[O-])C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C ZINC000902802880 584671393 /nfs/dbraw/zinc/67/13/93/584671393.db2.gz FDEGAYVPFIVDGZ-IVZWLZJFSA-N -1 0 241.331 2.038 20 0 BEADRM CC(C)(/C=C/Cl)NC(=O)CCCCC(=O)[O-] ZINC000902868489 584683061 /nfs/dbraw/zinc/68/30/61/584683061.db2.gz MHCMUTCBNIENBJ-BQYQJAHWSA-N -1 0 247.722 2.279 20 0 BEADRM CCCC1(C(=O)NC[C@H](CC)C(=O)[O-])CCC1 ZINC000902853565 584685309 /nfs/dbraw/zinc/68/53/09/584685309.db2.gz QGXRKZRJBFVUDZ-JTQLQIEISA-N -1 0 241.331 2.184 20 0 BEADRM CCC(F)(F)CN([C@@H](C)C(=O)[O-])C1CCC1 ZINC000903608460 584785066 /nfs/dbraw/zinc/78/50/66/584785066.db2.gz IPMONMZEIHRUFX-QMMMGPOBSA-N -1 0 235.274 2.359 20 0 BEADRM CCCCCC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000903617554 584787244 /nfs/dbraw/zinc/78/72/44/584787244.db2.gz ZCARMSWVQOCDCW-UWVGGRQHSA-N -1 0 217.284 2.064 20 0 BEADRM O=C([O-])[C@@H]1C[C@H](F)CN1C/C=C\c1ccccc1 ZINC000903617226 584787323 /nfs/dbraw/zinc/78/73/23/584787323.db2.gz RVCDVRDRDHIQIL-KNUBNCPHSA-N -1 0 249.285 2.197 20 0 BEADRM Cc1ccc2c(c1)CCCN2C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903885334 584818784 /nfs/dbraw/zinc/81/87/84/584818784.db2.gz LWRDELDDPNIEFC-QWHCGFSZSA-N -1 0 245.322 2.468 20 0 BEADRM CCSCc1ccnc(N[C@@H](C)C(=O)[O-])c1 ZINC000904225792 584853617 /nfs/dbraw/zinc/85/36/17/584853617.db2.gz LHHIITNQKUHFKG-QMMMGPOBSA-N -1 0 240.328 2.220 20 0 BEADRM C[C@@H](Nc1ccnn1C1CCCCC1)C(=O)[O-] ZINC000904228442 584853629 /nfs/dbraw/zinc/85/36/29/584853629.db2.gz OSRJTJXULQDGLN-SECBINFHSA-N -1 0 237.303 2.273 20 0 BEADRM Cc1c(N[C@H](C)C(=O)[O-])cnn1C1CCCC1 ZINC000904235991 584857474 /nfs/dbraw/zinc/85/74/74/584857474.db2.gz LNRFINXPLJQBPN-MRVPVSSYSA-N -1 0 237.303 2.192 20 0 BEADRM COCCCCCSC[C@H](C)C(=O)[O-] ZINC000737760483 584883768 /nfs/dbraw/zinc/88/37/68/584883768.db2.gz XZACUSSAINVIDM-VIFPVBQESA-N -1 0 220.334 2.257 20 0 BEADRM CC(C)C[C@H](OC(=O)[C@@H]1C[C@@H]1C1CC1)C(=O)[O-] ZINC000826811342 584895540 /nfs/dbraw/zinc/89/55/40/584895540.db2.gz BQHAAZUCWAGVSN-MXWKQRLJSA-N -1 0 240.299 2.075 20 0 BEADRM CC(C)C[C@H](OC(=O)[C@H]1C[C@H]1C1CC1)C(=O)[O-] ZINC000826811341 584895579 /nfs/dbraw/zinc/89/55/79/584895579.db2.gz BQHAAZUCWAGVSN-DCAQKATOSA-N -1 0 240.299 2.075 20 0 BEADRM CCCC[C@@H](C)OC(=O)CCCN(C)C(=O)[O-] ZINC000829285451 584906787 /nfs/dbraw/zinc/90/67/87/584906787.db2.gz MSWNEEKFAIGLIN-SNVBAGLBSA-N -1 0 245.319 2.498 20 0 BEADRM CC(C)O[N-]C(=O)Cc1cc2ccccc2o1 ZINC000836799882 584937061 /nfs/dbraw/zinc/93/70/61/584937061.db2.gz YIJRGBFMUNLEPE-UHFFFAOYSA-N -1 0 233.267 2.432 20 0 BEADRM CCOCc1cccc(N[C@@H](C)C(=O)[O-])c1 ZINC000737876683 584937575 /nfs/dbraw/zinc/93/75/75/584937575.db2.gz CPQQKLMHWMVTNP-VIFPVBQESA-N -1 0 223.272 2.108 20 0 BEADRM C[C@H](C(=O)NO[C@H]1CCCCO1)C(C)(C)C ZINC000734433774 584962423 /nfs/dbraw/zinc/96/24/23/584962423.db2.gz SPJBTZSOEXYFOF-ZJUUUORDSA-N -1 0 229.320 2.243 20 0 BEADRM C/C(=C\C(=O)Nc1cc(C)[nH]c1C(=O)[O-])C1CC1 ZINC000736120983 584989867 /nfs/dbraw/zinc/98/98/67/584989867.db2.gz NHKMIVXQPMUAAK-FNORWQNLSA-N -1 0 248.282 2.316 20 0 BEADRM CC(C)(C)[C@H](NC(=O)C=C1CCCC1)C(=O)[O-] ZINC000736243664 584994193 /nfs/dbraw/zinc/99/41/93/584994193.db2.gz YMGDIHVVKWJYSY-LLVKDONJSA-N -1 0 239.315 2.102 20 0 BEADRM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)[O-] ZINC000736252821 584994439 /nfs/dbraw/zinc/99/44/39/584994439.db2.gz RTYRUJKACXNNAQ-DTWKUNHWSA-N -1 0 215.293 2.095 20 0 BEADRM CC(C)=CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736343380 584998383 /nfs/dbraw/zinc/99/83/83/584998383.db2.gz BMNXRLFYHGLLAN-ZDUSSCGKSA-N -1 0 247.294 2.237 20 0 BEADRM CCC(CC)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736346098 584998566 /nfs/dbraw/zinc/99/85/66/584998566.db2.gz QIKITRPPAIRPQR-UHFFFAOYSA-N -1 0 231.303 2.467 20 0 BEADRM CC(C)[C@@H](C)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000736353030 584998938 /nfs/dbraw/zinc/99/89/38/584998938.db2.gz GSVPBZHCCVNEMV-MRVPVSSYSA-N -1 0 240.255 2.313 20 0 BEADRM CC(C)CC(=O)OCc1cc(C(=O)[O-])co1 ZINC000736402721 585000943 /nfs/dbraw/zinc/00/09/43/585000943.db2.gz YKLWGKYJVCPNJC-UHFFFAOYSA-N -1 0 226.228 2.067 20 0 BEADRM CC(C)CCCOC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000736426303 585001190 /nfs/dbraw/zinc/00/11/90/585001190.db2.gz LEBRASTZZPNBJX-JTQLQIEISA-N -1 0 245.319 2.258 20 0 BEADRM CC(C)N(C)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736455034 585002869 /nfs/dbraw/zinc/00/28/69/585002869.db2.gz LCXUBDXEXRMPQC-UHFFFAOYSA-N -1 0 236.271 2.257 20 0 BEADRM C[C@@H](CC(=O)NC(C)(C)CCC(=O)[O-])C1CC1 ZINC000736540924 585005328 /nfs/dbraw/zinc/00/53/28/585005328.db2.gz DMLMKAVWHLAFDP-VIFPVBQESA-N -1 0 241.331 2.182 20 0 BEADRM CC(C)N(CCC(=O)[O-])C(=O)C[C@@H](C)C1CC1 ZINC000736544166 585005624 /nfs/dbraw/zinc/00/56/24/585005624.db2.gz AVTOGGMCXZMKHO-SNVBAGLBSA-N -1 0 241.331 2.134 20 0 BEADRM CC(C)N(CCC(=O)[O-])C(=O)C[C@H](C)C1CC1 ZINC000736544164 585005688 /nfs/dbraw/zinc/00/56/88/585005688.db2.gz AVTOGGMCXZMKHO-JTQLQIEISA-N -1 0 241.331 2.134 20 0 BEADRM C[C@@H](CC(=O)[O-])Sc1ccnc(C2CC2)n1 ZINC000736557305 585005845 /nfs/dbraw/zinc/00/58/45/585005845.db2.gz RNXNBTBICPJWSL-ZETCQYMHSA-N -1 0 238.312 2.309 20 0 BEADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1ccccn1 ZINC000736571800 585006435 /nfs/dbraw/zinc/00/64/35/585006435.db2.gz HZDNOEODDXZUME-VIFPVBQESA-N -1 0 246.232 2.457 20 0 BEADRM CC(C)c1nccc(SC[C@H](C)C(=O)[O-])n1 ZINC000736617431 585007251 /nfs/dbraw/zinc/00/72/51/585007251.db2.gz GATGGTJHOOVZDY-QMMMGPOBSA-N -1 0 240.328 2.413 20 0 BEADRM C[C@H](COC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000736607555 585007367 /nfs/dbraw/zinc/00/73/67/585007367.db2.gz WUGXBBPMRLBXKH-ADEWGFFLSA-N -1 0 248.278 2.054 20 0 BEADRM C[C@H](CNC(=O)[O-])Oc1ccccc1Cl ZINC000736598540 585007497 /nfs/dbraw/zinc/00/74/97/585007497.db2.gz LQTCWABOYRLZQC-SSDOTTSWSA-N -1 0 229.663 2.375 20 0 BEADRM C[C@@H](OC(=O)/C=C/C1CCCCC1)C(=O)[O-] ZINC000736681487 585009669 /nfs/dbraw/zinc/00/96/69/585009669.db2.gz CJQLJTQSLSZGBI-FCZSHJHJSA-N -1 0 226.272 2.139 20 0 BEADRM C[C@H](OC(=O)/C=C/C1CCCCC1)C(=O)[O-] ZINC000736681488 585009731 /nfs/dbraw/zinc/00/97/31/585009731.db2.gz CJQLJTQSLSZGBI-FLOXNTQESA-N -1 0 226.272 2.139 20 0 BEADRM C[C@@H](OC(=O)c1cccc(C(F)F)c1)C(=O)[O-] ZINC000736696501 585010027 /nfs/dbraw/zinc/01/00/27/585010027.db2.gz JOCLGIGQMJZFTM-ZCFIWIBFSA-N -1 0 244.193 2.254 20 0 BEADRM C[C@@H]1C[C@H](CC(=O)OCC(=O)[O-])CC(C)(C)C1 ZINC000736754668 585011566 /nfs/dbraw/zinc/01/15/66/585011566.db2.gz DIRNSPKLMKKLRN-NXEZZACHSA-N -1 0 242.315 2.467 20 0 BEADRM C[C@@H]1C[C@H]1CNC(=O)c1ccccc1NC(=O)[O-] ZINC000736767003 585011795 /nfs/dbraw/zinc/01/17/95/585011795.db2.gz YDWMZZGGNNVGOB-BDAKNGLRSA-N -1 0 248.282 2.162 20 0 BEADRM C[C@@H]1CC[C@@H](OC(=O)CCNC(=O)[O-])[C@@H](C)C1 ZINC000736773913 585013042 /nfs/dbraw/zinc/01/30/42/585013042.db2.gz YBBOJQFDQJXZAE-KXUCPTDWSA-N -1 0 243.303 2.012 20 0 BEADRM C[C@H]1CCCC[C@@H]1CC(=O)OCCNC(=O)[O-] ZINC000736778981 585013658 /nfs/dbraw/zinc/01/36/58/585013658.db2.gz HLZKDRHGOMZCAM-VHSXEESVSA-N -1 0 243.303 2.014 20 0 BEADRM C[C@H]1CCN(C(=O)c2ccccc2NC(=O)[O-])C1 ZINC000736797676 585015298 /nfs/dbraw/zinc/01/52/98/585015298.db2.gz NONJVBHVIRNFOG-VIFPVBQESA-N -1 0 248.282 2.259 20 0 BEADRM CC[C@@](C)(NC(=O)[O-])c1nccs1 ZINC000736861290 585018338 /nfs/dbraw/zinc/01/83/38/585018338.db2.gz IZLZRTYLNIDZTH-MRVPVSSYSA-N -1 0 200.263 2.036 20 0 BEADRM CCC(CC)(CC)NC(=O)CCCNC(=O)[O-] ZINC000736894518 585018777 /nfs/dbraw/zinc/01/87/77/585018777.db2.gz PLKQRQCKQHZFNH-UHFFFAOYSA-N -1 0 244.335 2.119 20 0 BEADRM CC[C@H](C)OC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000736887539 585018778 /nfs/dbraw/zinc/01/87/78/585018778.db2.gz QKTUECJRPQOZRF-IUCAKERBSA-N -1 0 231.292 2.010 20 0 BEADRM CC[C@H](C)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736886603 585018873 /nfs/dbraw/zinc/01/88/73/585018873.db2.gz KJZUMRHPWPJOTH-QMMMGPOBSA-N -1 0 236.271 2.305 20 0 BEADRM CC[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC000736941955 585019633 /nfs/dbraw/zinc/01/96/33/585019633.db2.gz PLGPQZCLRXWWEI-VPOLOUISSA-N -1 0 240.299 2.219 20 0 BEADRM CC/C=C\COC(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000736947338 585019937 /nfs/dbraw/zinc/01/99/37/585019937.db2.gz BNERSALXQIEQHG-WWQCOOJYSA-N -1 0 243.303 2.178 20 0 BEADRM CC/C=C\CCOC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000736949516 585020065 /nfs/dbraw/zinc/02/00/65/585020065.db2.gz SPJHGGPVZJRZNV-WWQCOOJYSA-N -1 0 243.303 2.178 20 0 BEADRM CC/C=C/CCOC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000736949514 585020073 /nfs/dbraw/zinc/02/00/73/585020073.db2.gz SPJHGGPVZJRZNV-PORFMDCZSA-N -1 0 243.303 2.178 20 0 BEADRM CCC/C(C)=C/C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000736960033 585020345 /nfs/dbraw/zinc/02/03/45/585020345.db2.gz UGBWFVNYUOWDBU-MMQHEFTJSA-N -1 0 239.315 2.102 20 0 BEADRM CCC[C@@H](C)N(C)C(=O)CCCN(C)C(=O)[O-] ZINC000736965596 585020527 /nfs/dbraw/zinc/02/05/27/585020527.db2.gz QUGLNMNMLDBQOX-SNVBAGLBSA-N -1 0 244.335 2.023 20 0 BEADRM CCCCC(=O)O[C@@H](CC(C)C)C(=O)[O-] ZINC000736975907 585020970 /nfs/dbraw/zinc/02/09/70/585020970.db2.gz ZNUJDAFVGBSEAN-VIFPVBQESA-N -1 0 216.277 2.219 20 0 BEADRM CCCC[C@H](CC)COC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000736980763 585021148 /nfs/dbraw/zinc/02/11/48/585021148.db2.gz CKXBRCXYSBOXDO-AXFHLTTASA-N -1 0 242.315 2.467 20 0 BEADRM CCCCN(C(=O)CCNC(=O)[O-])[C@H](C)CC ZINC000736991282 585021911 /nfs/dbraw/zinc/02/19/11/585021911.db2.gz IHVOCUCOZCMQKI-SNVBAGLBSA-N -1 0 244.335 2.071 20 0 BEADRM CCCSCC(=O)O[C@@H](CC(C)C)C(=O)[O-] ZINC000737038765 585023134 /nfs/dbraw/zinc/02/31/34/585023134.db2.gz HDODOPDXRGAGIV-VIFPVBQESA-N -1 0 248.344 2.172 20 0 BEADRM CCN(C(=O)C(C)C)c1ccccc1C(=O)[O-] ZINC000737052185 585023673 /nfs/dbraw/zinc/02/36/73/585023673.db2.gz YQXFLEMJTDFUSN-UHFFFAOYSA-N -1 0 235.283 2.394 20 0 BEADRM CCN(C(=O)[C@@H]1C[C@@H]1C)c1ccccc1C(=O)[O-] ZINC000737052565 585023756 /nfs/dbraw/zinc/02/37/56/585023756.db2.gz LMLHAFWGZNKLHK-GXSJLCMTSA-N -1 0 247.294 2.394 20 0 BEADRM CC[C@H](C)[C@H](NC(=O)C=C1CCCC1)C(=O)[O-] ZINC000737234638 585027746 /nfs/dbraw/zinc/02/77/46/585027746.db2.gz SMWYILTVXINBNE-CABZTGNLSA-N -1 0 239.315 2.102 20 0 BEADRM CCc1ccc(COC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000737265875 585028814 /nfs/dbraw/zinc/02/88/14/585028814.db2.gz VWLNHONDERLSHG-NEPJUHHUSA-N -1 0 248.278 2.013 20 0 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587360182 /nfs/dbraw/zinc/36/01/82/587360182.db2.gz QCLDQVPDCCKIJV-IUCAKERBSA-N -1 0 231.292 2.012 20 0 BEADRM CCC[C@@H](C)OC(=O)CC(C)(C)NC(=O)[O-] ZINC000826733242 587360441 /nfs/dbraw/zinc/36/04/41/587360441.db2.gz AJAYICSRNHZEKI-MRVPVSSYSA-N -1 0 231.292 2.155 20 0 BEADRM CCC[C@@H](C)OC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000826734182 587360582 /nfs/dbraw/zinc/36/05/82/587360582.db2.gz GRYOZHANOXIZBV-BXKDBHETSA-N -1 0 243.303 2.108 20 0 BEADRM CCC[C@H](C)OC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000826735041 587360601 /nfs/dbraw/zinc/36/06/01/587360601.db2.gz LVKVITGZONRSSU-UWVGGRQHSA-N -1 0 243.303 2.251 20 0 BEADRM CCC[C@H](C)OC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000826736701 587360643 /nfs/dbraw/zinc/36/06/43/587360643.db2.gz VPYWDHLADUVREJ-DTWKUNHWSA-N -1 0 231.292 2.010 20 0 BEADRM CCC[C@H](CC)OC(=O)[C@H](CC)NC(=O)[O-] ZINC000826736477 587360812 /nfs/dbraw/zinc/36/08/12/587360812.db2.gz VLBFXJCPQYWQMI-IUCAKERBSA-N -1 0 231.292 2.155 20 0 BEADRM CC(C)C[C@H](OC(=O)C1CC(C)C1)C(=O)[O-] ZINC000826811751 587363041 /nfs/dbraw/zinc/36/30/41/587363041.db2.gz FIBSHJSASWLKPA-RTBKNWGFSA-N -1 0 228.288 2.075 20 0 BEADRM CC(C)C[C@H](OC(=O)C[C@@H]1C=CCC1)C(=O)[O-] ZINC000826812673 587363044 /nfs/dbraw/zinc/36/30/44/587363044.db2.gz LPZXXTVLOYSDEB-MNOVXSKESA-N -1 0 240.299 2.385 20 0 BEADRM CCCCCOC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000826826050 587363416 /nfs/dbraw/zinc/36/34/16/587363416.db2.gz NXCIBOMTCLHIIW-VHSXEESVSA-N -1 0 243.303 2.156 20 0 BEADRM CCCCOC(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000826842868 587364032 /nfs/dbraw/zinc/36/40/32/587364032.db2.gz YNLXNCAIGYISOD-MRVPVSSYSA-N -1 0 231.292 2.012 20 0 BEADRM CC(C)CCC[C@@H](C)NC(=O)[C@H](C)CC(=O)[O-] ZINC000826849118 587364138 /nfs/dbraw/zinc/36/41/38/587364138.db2.gz VESLCAIHWYHSIX-GHMZBOCLSA-N -1 0 243.347 2.428 20 0 BEADRM CC(C)CCN(C(=O)[C@@H](C)CC(=O)[O-])C1CC1 ZINC000826848900 587364268 /nfs/dbraw/zinc/36/42/68/587364268.db2.gz KOWDSSCTHWMESV-JTQLQIEISA-N -1 0 241.331 2.134 20 0 BEADRM Cc1cccc2c1O[C@@H](C(=O)[N-]OCC(C)C)C2 ZINC000827213939 587373196 /nfs/dbraw/zinc/37/31/96/587373196.db2.gz ZIXDZONWPKHKTC-GFCCVEGCSA-N -1 0 249.310 2.002 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@H]1C(C)(C)C ZINC000827257509 587373467 /nfs/dbraw/zinc/37/34/67/587373467.db2.gz OSGRHWOMNKVHHU-ZJUUUORDSA-N -1 0 241.331 2.134 20 0 BEADRM CCNc1cccc2c1CCN(C(=O)[O-])C2 ZINC000827273571 587375045 /nfs/dbraw/zinc/37/50/45/587375045.db2.gz BQUKRTRLWCBLOO-UHFFFAOYSA-N -1 0 220.272 2.155 20 0 BEADRM C[C@@H](CNC(=O)[C@@H](C)CC(=O)[O-])c1ccccc1 ZINC000827282792 587375077 /nfs/dbraw/zinc/37/50/77/587375077.db2.gz TVDDQDZQSQANCW-QWRGUYRKSA-N -1 0 249.310 2.017 20 0 BEADRM C[C@H](CC(=O)[O-])C(=O)O[C@H]1CCc2ccccc21 ZINC000827334143 587377588 /nfs/dbraw/zinc/37/75/88/587377588.db2.gz RJKFXOVTSOEFHZ-SKDRFNHKSA-N -1 0 248.278 2.328 20 0 BEADRM CCOc1cc(C)ccc1CNC(=O)[O-] ZINC000827414379 587380526 /nfs/dbraw/zinc/38/05/26/587380526.db2.gz ZVUZQZORISXYQS-UHFFFAOYSA-N -1 0 209.245 2.161 20 0 BEADRM C[C@H](CO)S[C@H](C(=O)[O-])c1ccccc1F ZINC000827517879 587384241 /nfs/dbraw/zinc/38/42/41/587384241.db2.gz VLPQXXXGDKIVNP-XCBNKYQSSA-N -1 0 244.287 2.065 20 0 BEADRM C[C@@H](CS[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000827575062 587389519 /nfs/dbraw/zinc/38/95/19/587389519.db2.gz JPMHJNBXVMOBAZ-CRCLSJGQSA-N -1 0 216.224 2.391 20 0 BEADRM C[C@H](Nc1ccccc1OCC(F)F)C(=O)[O-] ZINC000827773306 587401406 /nfs/dbraw/zinc/40/14/06/587401406.db2.gz HRJZDXQTSYJGAN-ZETCQYMHSA-N -1 0 245.225 2.216 20 0 BEADRM C[C@@H](SC[C@H](O)CC(=O)[O-])c1cccs1 ZINC000827908207 587409598 /nfs/dbraw/zinc/40/95/98/587409598.db2.gz GXCOMPNMCCXJPL-HTQZYQBOSA-N -1 0 246.353 2.378 20 0 BEADRM C[C@@H](Sc1ccnc(C(C)(C)C)n1)C(=O)[O-] ZINC000827921845 587410085 /nfs/dbraw/zinc/41/00/85/587410085.db2.gz IXDJCGXYEJASLK-SSDOTTSWSA-N -1 0 240.328 2.339 20 0 BEADRM CCCCC[C@H](NC(=O)[C@@H](C)C1CC1)C(=O)[O-] ZINC000828133160 587420672 /nfs/dbraw/zinc/42/06/72/587420672.db2.gz OORFTCZXVYGJTE-ONGXEEELSA-N -1 0 241.331 2.182 20 0 BEADRM CC1CC(C(=O)Oc2cccc(C(=O)[O-])c2)C1 ZINC000828156887 587422189 /nfs/dbraw/zinc/42/21/89/587422189.db2.gz UAMFNNWFIYIRQD-UHFFFAOYSA-N -1 0 234.251 2.336 20 0 BEADRM CC(C)[C@H](OC(=O)/C=C1\CC[C@@H](C)C1)C(=O)[O-] ZINC000828207206 587423880 /nfs/dbraw/zinc/42/38/80/587423880.db2.gz JFSMZSUXRBSTTQ-DTHKZTQTSA-N -1 0 240.299 2.385 20 0 BEADRM CC(C)[C@@H](OC(=O)/C=C1\CC[C@@H](C)C1)C(=O)[O-] ZINC000828207207 587424040 /nfs/dbraw/zinc/42/40/40/587424040.db2.gz JFSMZSUXRBSTTQ-FGVMVUQBSA-N -1 0 240.299 2.385 20 0 BEADRM C[C@@H](CC(=O)[O-])C(=O)NC1(C)CCC(C)CC1 ZINC000828207966 587424180 /nfs/dbraw/zinc/42/41/80/587424180.db2.gz UZMJKIYFDGCWOY-QUNCOHTASA-N -1 0 241.331 2.182 20 0 BEADRM C[C@H]1CC[C@H](CC(=O)NCC(C)(C)C(=O)[O-])C1 ZINC000828221511 587424795 /nfs/dbraw/zinc/42/47/95/587424795.db2.gz QXJPUSLSJCHPRR-UWVGGRQHSA-N -1 0 241.331 2.040 20 0 BEADRM CC(C)[C@H](OC(=O)C[C@H]1CC[C@@H](C)C1)C(=O)[O-] ZINC000828221778 587424949 /nfs/dbraw/zinc/42/49/49/587424949.db2.gz XXDWYVQHSCPDNV-SCVCMEIPSA-N -1 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ZINC000828747805 587460113 /nfs/dbraw/zinc/46/01/13/587460113.db2.gz XJPDJDAPRNULGC-VHSXEESVSA-N -1 0 245.319 2.258 20 0 BEADRM CC[C@@H](C)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828758664 587460477 /nfs/dbraw/zinc/46/04/77/587460477.db2.gz NGPVZQVOQYSBOZ-SSDOTTSWSA-N -1 0 239.246 2.052 20 0 BEADRM CC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828759716 587460803 /nfs/dbraw/zinc/46/08/03/587460803.db2.gz YPQRMNKRPKVOTE-ZCFIWIBFSA-N -1 0 242.300 2.366 20 0 BEADRM CCC(CC)CN(CC)C(=O)[C@@H](C)CC(=O)[O-] ZINC000828859245 587466791 /nfs/dbraw/zinc/46/67/91/587466791.db2.gz WWZLYWLEYYQQGE-JTQLQIEISA-N -1 0 243.347 2.382 20 0 BEADRM COC[C@H](C)Nc1ccc(NC(=O)[O-])cc1 ZINC000828904678 587470898 /nfs/dbraw/zinc/47/08/98/587470898.db2.gz XDEUXQPRELNQHK-QMMMGPOBSA-N -1 0 224.260 2.223 20 0 BEADRM CCC1(C)CCN(C(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000829044564 587480711 /nfs/dbraw/zinc/48/07/11/587480711.db2.gz SZODITIDIIXLJM-SNVBAGLBSA-N -1 0 241.331 2.136 20 0 BEADRM O=C(NC[C@H]1C=CCC1)c1cccc(F)c1[O-] ZINC000829149259 587485207 /nfs/dbraw/zinc/48/52/07/587485207.db2.gz CZSXASCISPVNCT-VIFPVBQESA-N -1 0 235.258 2.227 20 0 BEADRM CC/C=C\COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000829170153 587486548 /nfs/dbraw/zinc/48/65/48/587486548.db2.gz LPNZECZURTXJOJ-CBZSPVTBSA-N -1 0 240.299 2.387 20 0 BEADRM CCC/C(C)=C\C(=O)NC1(CC(=O)[O-])CCC1 ZINC000829209718 587488511 /nfs/dbraw/zinc/48/85/11/587488511.db2.gz WMGGRKGSHMFTRM-NTMALXAHSA-N -1 0 239.315 2.246 20 0 BEADRM CCC/C(C)=C\C(=O)OC/C=C(/C)C(=O)[O-] ZINC000829209179 587488659 /nfs/dbraw/zinc/48/86/59/587488659.db2.gz SBOYTBSKLLUQFA-BLQKWXTKSA-N -1 0 226.272 2.307 20 0 BEADRM CCC[C@@H](CC)OC(=O)CCCNC(=O)[O-] ZINC000829223474 587488871 /nfs/dbraw/zinc/48/88/71/587488871.db2.gz QXNJCDBQGSMALE-SECBINFHSA-N -1 0 231.292 2.156 20 0 BEADRM CCC[C@@H](CC)OC(=O)CCCN(C)C(=O)[O-] ZINC000829223626 587489217 /nfs/dbraw/zinc/48/92/17/587489217.db2.gz VMYHZNUMTNSYNY-SNVBAGLBSA-N -1 0 245.319 2.498 20 0 BEADRM CCC/C=C/C(=O)NC(CC)(CC)C(=O)[O-] ZINC000829266167 587490408 /nfs/dbraw/zinc/49/04/08/587490408.db2.gz GUCLLINXIOIFTA-CMDGGOBGSA-N -1 0 227.304 2.102 20 0 BEADRM CCC/C=C\C(=O)NC(CC)(CC)C(=O)[O-] ZINC000829266169 587490457 /nfs/dbraw/zinc/49/04/57/587490457.db2.gz GUCLLINXIOIFTA-HJWRWDBZSA-N -1 0 227.304 2.102 20 0 BEADRM CCC/C=C\C(=O)N[C@@H](CCCCC)C(=O)[O-] ZINC000829266859 587490819 /nfs/dbraw/zinc/49/08/19/587490819.db2.gz MHJIRNSANQUPKH-IEHMKBBKSA-N -1 0 241.331 2.492 20 0 BEADRM CCCC[C@H](C)OC(=O)CCCNC(=O)[O-] ZINC000829286255 587491135 /nfs/dbraw/zinc/49/11/35/587491135.db2.gz RYYKRUUXCYWCDG-VIFPVBQESA-N -1 0 231.292 2.156 20 0 BEADRM CCCC[C@@H](C)OC(=O)CCCNC(=O)[O-] ZINC000829286253 587491247 /nfs/dbraw/zinc/49/12/47/587491247.db2.gz RYYKRUUXCYWCDG-SECBINFHSA-N -1 0 231.292 2.156 20 0 BEADRM CCCCOC(=O)[C@H](C)SC[C@@H](C)C(=O)[O-] ZINC000829402645 587495903 /nfs/dbraw/zinc/49/59/03/587495903.db2.gz ZVOCRZMNCGTHGJ-BDAKNGLRSA-N -1 0 248.344 2.172 20 0 BEADRM CCCCOC(=O)[C@@H](C)S[C@H](C)CC(=O)[O-] ZINC000829402041 587495906 /nfs/dbraw/zinc/49/59/06/587495906.db2.gz NVCNLOMZTQAFDQ-RKDXNWHRSA-N -1 0 248.344 2.315 20 0 BEADRM CCCc1ccc(OC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000829566586 587503842 /nfs/dbraw/zinc/50/38/42/587503842.db2.gz NQBDUWIHNMSZSE-VXGBXAGGSA-N -1 0 248.278 2.265 20 0 BEADRM COc1ccccc1C[C@@H](C)N(C)C(=O)[O-] ZINC000829619482 587506400 /nfs/dbraw/zinc/50/64/00/587506400.db2.gz RDOJBYPNRABEIC-SECBINFHSA-N -1 0 223.272 2.236 20 0 BEADRM CCN(CC)C(=S)SC/C=C(/C)C(=O)[O-] ZINC000829658379 587508054 /nfs/dbraw/zinc/50/80/54/587508054.db2.gz DZWUFEGUDXWOPU-VURMDHGXSA-N -1 0 247.385 2.377 20 0 BEADRM CCN(CCC(=O)[O-])C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000829697705 587509692 /nfs/dbraw/zinc/50/96/92/587509692.db2.gz YENFFPHSBJSMIY-GHMZBOCLSA-N -1 0 241.331 2.136 20 0 BEADRM CSCc1cc(F)ccc1CNC(=O)[O-] ZINC000829754952 587514249 /nfs/dbraw/zinc/51/42/49/587514249.db2.gz QMKNXRYVKIBBHC-UHFFFAOYSA-N -1 0 229.276 2.456 20 0 BEADRM CCOC(=O)[C@@H](S[C@@H](C)CC(=O)[O-])C(C)C ZINC000829827362 587520672 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AJVWJBCHNJXZJB-SECBINFHSA-N -1 0 227.235 2.109 20 0 BEADRM CCCc1nsc(S[C@H](C)C(=O)[O-])n1 ZINC000083651498 949034581 /nfs/dbraw/zinc/03/45/81/949034581.db2.gz XORIXOVGKUPGGT-RXMQYKEDSA-N -1 0 232.330 2.056 20 0 BEADRM Cc1ccc(-c2cnn(C)c2)cc1C(=O)[O-] ZINC000083688953 949034730 /nfs/dbraw/zinc/03/47/30/949034730.db2.gz OSHPIIZELGWNCW-UHFFFAOYSA-N -1 0 216.240 2.094 20 0 BEADRM CCC(CC)(C(=O)[O-])C(=O)Oc1ccccc1 ZINC000113863001 949231685 /nfs/dbraw/zinc/23/16/85/949231685.db2.gz RHHVEKUAUWJVHE-UHFFFAOYSA-N -1 0 236.267 2.483 20 0 BEADRM Cc1cc(COc2ccccc2CC(=O)[O-])no1 ZINC000157352200 949362820 /nfs/dbraw/zinc/36/28/20/949362820.db2.gz PFJPWKXXLXJVBL-UHFFFAOYSA-N -1 0 247.250 2.189 20 0 BEADRM O=C([O-])Cc1ccc(OCc2cncs2)cc1 ZINC000164983548 949419710 /nfs/dbraw/zinc/41/97/10/949419710.db2.gz IYDPPBWAEZUGOS-UHFFFAOYSA-N -1 0 249.291 2.349 20 0 BEADRM C[C@H](C(=O)[O-])C(=O)Nc1ccc(Cl)cc1F ZINC000165398604 949425315 /nfs/dbraw/zinc/42/53/15/949425315.db2.gz IYTAYDTYDCKVDE-YFKPBYRVSA-N -1 0 245.637 2.138 20 0 BEADRM CCC(CC)(CNc1nccs1)C(=O)[O-] ZINC000168007996 949465862 /nfs/dbraw/zinc/46/58/62/949465862.db2.gz RUJQEZWOERZAQJ-UHFFFAOYSA-N -1 0 228.317 2.446 20 0 BEADRM O=C([O-])CS[C@H]1CCOc2ccccc21 ZINC000201825320 949523547 /nfs/dbraw/zinc/52/35/47/949523547.db2.gz CRXSKPURVAWPQN-JTQLQIEISA-N -1 0 224.281 2.328 20 0 BEADRM Cc1cccc2sc(N[C@@H](C)C(=O)[O-])nc21 ZINC000212968897 949535448 /nfs/dbraw/zinc/53/54/48/949535448.db2.gz UKNUKNHCZUNOIB-ZETCQYMHSA-N -1 0 236.296 2.490 20 0 BEADRM [O-]c1ccc(Cl)cc1-c1ncc2nc[nH]c2n1 ZINC001245048527 971602102 /nfs/dbraw/zinc/60/21/02/971602102.db2.gz DVBDGBKBXCFIEE-UHFFFAOYSA-N -1 0 246.657 2.331 20 0 BEADRM CC[C@@H](COc1[n-]c(=O)nc2ccccc21)OC ZINC001226976692 1169616601 /nfs/dbraw/zinc/61/66/01/1169616601.db2.gz FIFGJTLJKOZYPA-VIFPVBQESA-N -1 0 248.282 2.139 20 0 BEADRM CC(C)C(C)(C)CNC(=O)C1(C(=O)[O-])CCC1 ZINC000232604427 949778930 /nfs/dbraw/zinc/77/89/30/949778930.db2.gz WHPVFIYUVQKVJR-UHFFFAOYSA-N -1 0 241.331 2.040 20 0 BEADRM CCCCCC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC000379170261 971607878 /nfs/dbraw/zinc/60/78/78/971607878.db2.gz DCRPWQKBTCXZCS-MNOVXSKESA-N -1 0 241.331 2.326 20 0 BEADRM O=C([O-])CSCc1csc(Cl)n1 ZINC000379319677 971634273 /nfs/dbraw/zinc/63/42/73/971634273.db2.gz RSQWCMAHVIWHDB-UHFFFAOYSA-N -1 0 223.706 2.114 20 0 BEADRM CCCc1nsc(SCCCC(=O)[O-])n1 ZINC000379770812 971658987 /nfs/dbraw/zinc/65/89/87/971658987.db2.gz AEJJNGMHYIUDRP-UHFFFAOYSA-N -1 0 246.357 2.448 20 0 BEADRM CC[C@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000308007229 950627683 /nfs/dbraw/zinc/62/76/83/950627683.db2.gz YITHNSCXIDEPSL-MNOVXSKESA-N -1 0 241.331 2.134 20 0 BEADRM Cc1ccoc1CNc1cccc(C(=O)[O-])n1 ZINC000310497483 950708254 /nfs/dbraw/zinc/70/82/54/950708254.db2.gz IPFMZFYFPHJPMF-UHFFFAOYSA-N -1 0 232.239 2.293 20 0 BEADRM O=C([O-])c1cccnc1COc1ccccc1F ZINC000380600028 971708241 /nfs/dbraw/zinc/70/82/41/971708241.db2.gz BHQZEEPOTVDERD-UHFFFAOYSA-N -1 0 247.225 2.498 20 0 BEADRM O=C([O-])c1ccc(CNC(=O)OC2CCC2)cc1 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C[C@H](CC(C)(C)C)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000397009321 951498106 /nfs/dbraw/zinc/49/81/06/951498106.db2.gz DICMWRFSSNTIJY-KXUCPTDWSA-N -1 0 241.331 2.038 20 0 BEADRM Cc1ccccc1N(C)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000397392574 951554447 /nfs/dbraw/zinc/55/44/47/951554447.db2.gz LRKAOCURWLMMBH-GHMZBOCLSA-N -1 0 247.294 2.069 20 0 BEADRM CC[C@@H](SCCC[C@H]1CCOC1)C(=O)[O-] ZINC000400633224 951653461 /nfs/dbraw/zinc/65/34/61/951653461.db2.gz NSXIGGVJSANVRM-VHSXEESVSA-N -1 0 232.345 2.400 20 0 BEADRM O=C([O-])c1csc(SCc2ccno2)n1 ZINC000382219812 971804356 /nfs/dbraw/zinc/80/43/56/971804356.db2.gz YXTJXIRRJHPKHI-UHFFFAOYSA-N -1 0 242.281 2.122 20 0 BEADRM CC[C@@H](C)C[C@H](CC)Oc1ncnc(=O)[n-]1 ZINC001229607461 1169666165 /nfs/dbraw/zinc/66/61/65/1169666165.db2.gz SFAXDQLPSZOCNY-BDAKNGLRSA-N -1 0 225.292 2.171 20 0 BEADRM CCC1(NC(=O)CCCCC(=O)[O-])CCCC1 ZINC000382554282 971822398 /nfs/dbraw/zinc/82/23/98/971822398.db2.gz IXKAKGJYGISGKP-UHFFFAOYSA-N -1 0 241.331 2.470 20 0 BEADRM CC(C)CCC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC000383057138 971847315 /nfs/dbraw/zinc/84/73/15/971847315.db2.gz BWDMRHYPWYKRNS-MNOVXSKESA-N -1 0 241.331 2.182 20 0 BEADRM CCOCCCN(C)c1ccccc1C(=O)[O-] ZINC000383321542 971863190 /nfs/dbraw/zinc/86/31/90/971863190.db2.gz RYSOOIZGRZWDSO-UHFFFAOYSA-N -1 0 237.299 2.248 20 0 BEADRM CCN(CC(C)(C)C)C(=O)C[C@H](C)CC(=O)[O-] ZINC000383600257 971878976 /nfs/dbraw/zinc/87/89/76/971878976.db2.gz QCPLYELPFJCGOT-JTQLQIEISA-N -1 0 243.347 2.382 20 0 BEADRM O=C([O-])Cc1ccccc1CN1CCC=C(F)C1 ZINC000383640030 971883014 /nfs/dbraw/zinc/88/30/14/971883014.db2.gz CIZWKNVZEFBOFG-UHFFFAOYSA-N -1 0 249.285 2.373 20 0 BEADRM Cc1ccc(NCc2ncc(C(=O)[O-])s2)cn1 ZINC000383717542 971889481 /nfs/dbraw/zinc/88/94/81/971889481.db2.gz UVXRUUCIQJJLHY-UHFFFAOYSA-N -1 0 249.295 2.157 20 0 BEADRM Cc1ccc(CNc2ncc(C(=O)[O-])cn2)s1 ZINC000383721870 971889261 /nfs/dbraw/zinc/88/92/61/971889261.db2.gz YMOXDUURJFTTLW-UHFFFAOYSA-N -1 0 249.295 2.157 20 0 BEADRM 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/nfs/dbraw/zinc/43/60/00/979436000.db2.gz XOFSTMHMBFLZHJ-BDAKNGLRSA-N -1 0 230.304 2.465 20 0 BEADRM CC1(CCC(=O)Nc2ncccc2C(=O)[O-])CC1 ZINC001603339760 979440529 /nfs/dbraw/zinc/44/05/29/979440529.db2.gz NNBGWUSTDZQWJN-UHFFFAOYSA-N -1 0 248.282 2.299 20 0 BEADRM C[C@H]1C[C@@H]1N(C(=O)CCC(=O)[O-])c1ccccc1 ZINC001603383136 979449946 /nfs/dbraw/zinc/44/99/46/979449946.db2.gz NRMBLIRJMCQVDZ-JQWIXIFHSA-N -1 0 247.294 2.293 20 0 BEADRM C[C@H]1C[C@H]1C(=O)OCc1cccc(C(=O)[O-])c1 ZINC001603383192 979450571 /nfs/dbraw/zinc/45/05/71/979450571.db2.gz PTEMLTMNFGKKPY-GZMMTYOYSA-N -1 0 234.251 2.084 20 0 BEADRM CCC(CC)COC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001595116480 979476395 /nfs/dbraw/zinc/47/63/95/979476395.db2.gz VOMMAYCSBBRYPO-UHFFFAOYSA-N -1 0 240.299 2.221 20 0 BEADRM CC[C@H](CS[C@@H](C(=O)[O-])C1CC1)OC ZINC001603575205 979477579 /nfs/dbraw/zinc/47/75/79/979477579.db2.gz JIFRPPAEWHLMGJ-RKDXNWHRSA-N -1 0 218.318 2.008 20 0 BEADRM CC[C@H](F)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001603576861 979477814 /nfs/dbraw/zinc/47/78/14/979477814.db2.gz DKCUFDQCKLMMEB-JTQLQIEISA-N -1 0 240.230 2.176 20 0 BEADRM CC[C@@H]1CCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC001603624744 979490480 /nfs/dbraw/zinc/49/04/80/979490480.db2.gz NFFDDPXHVRQFDE-SECBINFHSA-N -1 0 248.282 2.401 20 0 BEADRM CC(C)(F)COC(=O)c1ccc(C(=O)[O-])cc1 ZINC001603667128 979495084 /nfs/dbraw/zinc/49/50/84/979495084.db2.gz OLKDUHRRUMPCIU-UHFFFAOYSA-N -1 0 240.230 2.290 20 0 BEADRM CC(C)(CSCCc1cnoc1)C(=O)[O-] ZINC001603661445 979496596 /nfs/dbraw/zinc/49/65/96/979496596.db2.gz QSALKQIUDWHSBV-UHFFFAOYSA-N -1 0 229.301 2.061 20 0 BEADRM CCC(CC)OC(=O)C(C)(C)CC(=O)[O-] ZINC001595121894 979498257 /nfs/dbraw/zinc/49/82/57/979498257.db2.gz ZDGXGIVIJPQBTG-UHFFFAOYSA-N -1 0 216.277 2.219 20 0 BEADRM CC(C)[C@H](C)OC(=O)CC(C)(C)CC(=O)[O-] ZINC001603721040 979508485 /nfs/dbraw/zinc/50/84/85/979508485.db2.gz IGKNYJWFPAWEAU-VIFPVBQESA-N -1 0 230.304 2.465 20 0 BEADRM CC(C)[C@@]1(C)C[C@@H]1C(=O)OCCCC(=O)[O-] ZINC001603744902 979512425 /nfs/dbraw/zinc/51/24/25/979512425.db2.gz DFIPXIHTFAKHSS-BXKDBHETSA-N -1 0 228.288 2.077 20 0 BEADRM CC(C)[C@H](OC(=O)c1cccs1)C(=O)[O-] ZINC001603744378 979512540 /nfs/dbraw/zinc/51/25/40/979512540.db2.gz QNNKWVFVWGAGGT-QMMMGPOBSA-N -1 0 228.269 2.014 20 0 BEADRM CC(C)[C@@H]1C[C@@H]1C(=O)OCC1(C(=O)[O-])CCC1 ZINC001603752672 979514280 /nfs/dbraw/zinc/51/42/80/979514280.db2.gz GSYCZNLXWZPRFV-UWVGGRQHSA-N -1 0 240.299 2.077 20 0 BEADRM CC(C)C[C@H](OC(=O)C1(F)CCCC1)C(=O)[O-] ZINC001603780811 979518071 /nfs/dbraw/zinc/51/80/71/979518071.db2.gz ATHGGNUTQNCJDW-VIFPVBQESA-N -1 0 246.278 2.311 20 0 BEADRM CC(C)CCOC(=O)c1cc(C(=O)[O-])co1 ZINC001603794106 979522186 /nfs/dbraw/zinc/52/21/86/979522186.db2.gz CACUKRUIABCGFU-UHFFFAOYSA-N -1 0 226.228 2.181 20 0 BEADRM CC(C)CCOC(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC001603794576 979522983 /nfs/dbraw/zinc/52/29/83/979522983.db2.gz QIOLBQXSGGXBFQ-LBPRGKRZSA-N -1 0 243.303 2.108 20 0 BEADRM CCO[C@@H](CSCCC(=O)[O-])C1CC1 ZINC001603824214 979526042 /nfs/dbraw/zinc/52/60/42/979526042.db2.gz FXRLVMLDJVYOSU-VIFPVBQESA-N -1 0 218.318 2.009 20 0 BEADRM CCON(CC1CCCCC1)[C@H](C)C(=O)[O-] ZINC001603843290 979529237 /nfs/dbraw/zinc/52/92/37/979529237.db2.gz NYISLNJGKKGHDD-SNVBAGLBSA-N -1 0 229.320 2.293 20 0 BEADRM CCc1noc(/C=C/c2ccc(C(=O)[O-])o2)n1 ZINC001603994211 979557751 /nfs/dbraw/zinc/55/77/51/979557751.db2.gz XNMBSTDVIKINND-GQCTYLIASA-N -1 0 234.211 2.094 20 0 BEADRM CCC(CC)Nc1cc(C)c(-c2nn[nH]n2)cn1 ZINC001604027434 979559576 /nfs/dbraw/zinc/55/95/76/979559576.db2.gz FBQJDWGZSWRHQT-UHFFFAOYSA-N -1 0 246.318 2.171 20 0 BEADRM CC(C)c1occc1C(=O)O[C@H](C)CC(=O)[O-] ZINC001604030072 979560575 /nfs/dbraw/zinc/56/05/75/979560575.db2.gz WERMWGODGIJJKH-MRVPVSSYSA-N -1 0 240.255 2.423 20 0 BEADRM COCc1nccnc1-c1c(F)ccc(C)c1[O-] ZINC001236392011 979579616 /nfs/dbraw/zinc/57/96/16/979579616.db2.gz KEEZQZTVVSVVGA-UHFFFAOYSA-N -1 0 248.257 2.443 20 0 BEADRM C[C@@H](CCO)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001604148566 979585713 /nfs/dbraw/zinc/58/57/13/979585713.db2.gz QBLSRHTXTVVIHT-QMMMGPOBSA-N -1 0 248.282 2.049 20 0 BEADRM C/C(Cl)=C/C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001604244330 979604871 /nfs/dbraw/zinc/60/48/71/979604871.db2.gz WIALXSGBBUZBPO-SREVYHEPSA-N -1 0 239.658 2.466 20 0 BEADRM C[C@@H](Nc1cccc(C(=O)[O-])n1)c1cncs1 ZINC001604361415 979624256 /nfs/dbraw/zinc/62/42/56/979624256.db2.gz DDMDLDUENLYNES-SSDOTTSWSA-N -1 0 249.295 2.409 20 0 BEADRM C[C@@H](OC(=O)C1(F)CC1)c1cc(C(=O)[O-])co1 ZINC001604392492 979639630 /nfs/dbraw/zinc/63/96/30/979639630.db2.gz DLNWPFCNCLGTTD-ZCFIWIBFSA-N -1 0 242.202 2.084 20 0 BEADRM Cc1cc(CC(=O)OC(C)C)ccc1C(=O)[O-] ZINC001250089114 979640673 /nfs/dbraw/zinc/64/06/73/979640673.db2.gz YIWUDOPFNLMAAU-UHFFFAOYSA-N -1 0 236.267 2.187 20 0 BEADRM C[C@@H](OC(=O)[C@@H]1C[C@H]1C)c1ccc(C(=O)[O-])o1 ZINC001604407035 979641661 /nfs/dbraw/zinc/64/16/61/979641661.db2.gz QZUCJDWZQVWWLK-BWZBUEFSSA-N -1 0 238.239 2.238 20 0 BEADRM C[C@H](SCCCC1CCOCC1)C(=O)[O-] ZINC001604448362 979649252 /nfs/dbraw/zinc/64/92/52/979649252.db2.gz KSQCFLPMIKVFJT-VIFPVBQESA-N -1 0 232.345 2.400 20 0 BEADRM COC[C@@H](C)S[C@@H](CC(C)C)C(=O)[O-] ZINC001604514803 979672175 /nfs/dbraw/zinc/67/21/75/979672175.db2.gz MNCUMCNEVWAVAA-BDAKNGLRSA-N -1 0 220.334 2.254 20 0 BEADRM C[C@H]1CC=C(C(=O)NC(C)(C)CC(=O)[O-])CC1 ZINC001604692237 979701887 /nfs/dbraw/zinc/70/18/87/979701887.db2.gz VGVTYJUDWQDTRV-VIFPVBQESA-N -1 0 239.315 2.102 20 0 BEADRM C/C=C(/C=C/C(=O)NC/C=C(\C)C(=O)[O-])CC ZINC001604844574 979729794 /nfs/dbraw/zinc/72/97/94/979729794.db2.gz KLKJKRGZWXHLEF-WFJAALSZSA-N -1 0 237.299 2.046 20 0 BEADRM C/C=C(\C)C(=O)O[C@H](CCCC)C(=O)[O-] ZINC001604844279 979731489 /nfs/dbraw/zinc/73/14/89/979731489.db2.gz CRMCYSXIDWPEOS-WHXYTISESA-N -1 0 214.261 2.139 20 0 BEADRM C/C=C/C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001604845954 979733827 /nfs/dbraw/zinc/73/38/27/979733827.db2.gz ISYHIUYECHMEHH-MUBLQREKSA-N -1 0 247.294 2.121 20 0 BEADRM CC[C@H](C(=O)[O-])C(=O)OCc1ccc(C)cc1 ZINC001604881533 979750556 /nfs/dbraw/zinc/75/05/56/979750556.db2.gz PSRFACXVRWVQRX-LLVKDONJSA-N -1 0 236.267 2.149 20 0 BEADRM CC[C@@H](C(=O)[O-])C(=O)OCCCC(C)(C)C ZINC001604881404 979751318 /nfs/dbraw/zinc/75/13/18/979751318.db2.gz JNCCEYHAHRJMEZ-VIFPVBQESA-N -1 0 230.304 2.467 20 0 BEADRM CC[C@H](C)[C@H](S[C@@H](C)CC(=O)[O-])C(=O)OC ZINC001604943841 979781218 /nfs/dbraw/zinc/78/12/18/979781218.db2.gz KKVQCVBARRELKM-NRPADANISA-N -1 0 248.344 2.171 20 0 BEADRM CC[C@H](COC(=O)[C@H](C)C1CCC1)C(=O)[O-] ZINC001595176452 979767005 /nfs/dbraw/zinc/76/70/05/979767005.db2.gz CRHMUFOYWWCFDG-RKDXNWHRSA-N -1 0 228.288 2.077 20 0 BEADRM CC/C(C)=C(\C)C(=O)Nc1cccnc1C(=O)[O-] ZINC001604918809 979767853 /nfs/dbraw/zinc/76/78/53/979767853.db2.gz SMEBLKHFZBNEEP-CMDGGOBGSA-N -1 0 248.282 2.465 20 0 BEADRM CC[C@@H](C)CCCCC(=O)NCCC(=O)[O-] ZINC001604956828 979783202 /nfs/dbraw/zinc/78/32/02/979783202.db2.gz PMULMZHYZWCGNW-SNVBAGLBSA-N -1 0 229.320 2.184 20 0 BEADRM CC[C@@H](C)C[C@@H](Nc1cc(C)ncn1)C(=O)[O-] ZINC001604954509 979779696 /nfs/dbraw/zinc/77/96/96/979779696.db2.gz JRRCPPACFFQDGT-PSASIEDQSA-N -1 0 237.303 2.086 20 0 BEADRM CC[C@H](C)[C@@H](S[C@@H](C)CC(=O)[O-])C(=O)OC ZINC001604943842 979781917 /nfs/dbraw/zinc/78/19/17/979781917.db2.gz KKVQCVBARRELKM-OYNCUSHFSA-N -1 0 248.344 2.171 20 0 BEADRM CC[C@H](C)c1nc(-c2cc(C(=O)[O-])n(C)c2)no1 ZINC001604976659 979788133 /nfs/dbraw/zinc/78/81/33/979788133.db2.gz JXYBTMMOZQUEEH-ZETCQYMHSA-N -1 0 249.270 2.287 20 0 BEADRM Cc1cc(C[C@H]2CCCO2)ccc1C(=O)[O-] ZINC001250105969 979788873 /nfs/dbraw/zinc/78/88/73/979788873.db2.gz QGWFRBZFIUGPNT-LLVKDONJSA-N -1 0 220.268 2.415 20 0 BEADRM CC[C@H](CC(F)F)C(=O)O[C@H](C)CC(=O)[O-] ZINC001604986322 979790641 /nfs/dbraw/zinc/79/06/41/979790641.db2.gz JMTSMDIQTSWPSN-RNFRBKRXSA-N -1 0 238.230 2.074 20 0 BEADRM CC[C@H](COC(=O)/C=C\C1CCCC1)C(=O)[O-] ZINC001595181073 979793668 /nfs/dbraw/zinc/79/36/68/979793668.db2.gz QGQLDLDEOLOYGT-SKVAFPRGSA-N -1 0 240.299 2.387 20 0 BEADRM CC[C@@H](COC(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC001595181160 979794430 /nfs/dbraw/zinc/79/44/30/979794430.db2.gz RGDHVEGXFNKPDF-BCPZQOPPSA-N -1 0 248.278 2.354 20 0 BEADRM CC[C@H](COC(=O)[C@H]1C[C@]1(C)C(C)C)C(=O)[O-] ZINC001595181295 979795348 /nfs/dbraw/zinc/79/53/48/979795348.db2.gz RWIRUNXOQDGIAI-GIPNMCIBSA-N -1 0 242.315 2.323 20 0 BEADRM CC[C@H](COC(=O)c1ccoc1Cl)C(=O)[O-] ZINC001595181226 979795506 /nfs/dbraw/zinc/79/55/06/979795506.db2.gz ADMKFISGGCZFLJ-ZCFIWIBFSA-N -1 0 246.646 2.201 20 0 BEADRM CC[C@H](COC(=O)c1cc(C)oc1C)C(=O)[O-] ZINC001595181435 979797343 /nfs/dbraw/zinc/79/73/43/979797343.db2.gz DKLOZEYVARORCR-SECBINFHSA-N -1 0 240.255 2.164 20 0 BEADRM CCC(CC)[C@H](C)C(=O)OC1CC(C(=O)[O-])C1 ZINC001605013952 979799557 /nfs/dbraw/zinc/79/95/57/979799557.db2.gz GJIZZOKWOUWBOS-PUSIOWJLSA-N -1 0 242.315 2.465 20 0 BEADRM CC[C@H](CO)Sc1ccc(C(=O)[O-])cc1 ZINC001605047822 979803970 /nfs/dbraw/zinc/80/39/70/979803970.db2.gz YAICTDNEBZSTLB-SECBINFHSA-N -1 0 226.297 2.248 20 0 BEADRM CC[C@H](COC(=O)CCC(C)C)C(=O)[O-] ZINC001605046388 979804983 /nfs/dbraw/zinc/80/49/83/979804983.db2.gz CWMOUMLEVDHTKT-SECBINFHSA-N -1 0 216.277 2.077 20 0 BEADRM CC[C@@H](COC(=O)C1CCCCC1)C(=O)[O-] ZINC001605047815 979805538 /nfs/dbraw/zinc/80/55/38/979805538.db2.gz XWALXMHQZULGAB-VIFPVBQESA-N -1 0 228.288 2.221 20 0 BEADRM CC[C@@H](Cc1cc([C@H]2CCCO2)no1)C(=O)[O-] ZINC001605058276 979807521 /nfs/dbraw/zinc/80/75/21/979807521.db2.gz BXGRDLQMANIYBB-GZMMTYOYSA-N -1 0 239.271 2.179 20 0 BEADRM CC[C@@H](Cc1cc([C@@H]2CCCO2)no1)C(=O)[O-] ZINC001605058278 979808085 /nfs/dbraw/zinc/80/80/85/979808085.db2.gz BXGRDLQMANIYBB-KWQFWETISA-N -1 0 239.271 2.179 20 0 BEADRM Cc1c[nH]nc1COCc1ccc(C(=O)[O-])cc1 ZINC001605093360 979811903 /nfs/dbraw/zinc/81/19/03/979811903.db2.gz COBIQEOUTMCEON-UHFFFAOYSA-N -1 0 246.266 2.133 20 0 BEADRM CC[C@@H](OC(=O)CC(C1CC1)C1CC1)C(=O)[O-] ZINC001605114564 979818839 /nfs/dbraw/zinc/81/88/39/979818839.db2.gz OPAROCAQLOZKPU-LLVKDONJSA-N -1 0 240.299 2.219 20 0 BEADRM CC[C@@H](Sc1nc(C(C)C)c[nH]1)C(=O)[O-] 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Cc1cc2[nH]c(C(=O)OCC(=O)[O-])cc2c(C)c1 ZINC001605153068 979825829 /nfs/dbraw/zinc/82/58/29/979825829.db2.gz TWLRSRNTJYZWAW-UHFFFAOYSA-N -1 0 247.250 2.026 20 0 BEADRM CC[C@H]1CCC[C@@H]1CNc1nccnc1C(=O)[O-] ZINC001605162793 979826538 /nfs/dbraw/zinc/82/65/38/979826538.db2.gz ARBRYRZMHHNRRQ-VHSXEESVSA-N -1 0 249.314 2.413 20 0 BEADRM CC/C=C(\F)C(=O)NCCCCCCC(=O)[O-] ZINC001605183725 979829999 /nfs/dbraw/zinc/82/99/99/979829999.db2.gz DTWMEMQUYQDWJF-YFHOEESVSA-N -1 0 245.294 2.401 20 0 BEADRM CC/C=C\CN[C@H](C(=O)[O-])c1ccsc1 ZINC001605185806 979832403 /nfs/dbraw/zinc/83/24/03/979832403.db2.gz CXGPCNAEXZRLSJ-XOULXFPDSA-N -1 0 225.313 2.430 20 0 BEADRM CCCC(C)(C)CC(=O)NC[C@H](CC)C(=O)[O-] ZINC001605197178 979834767 /nfs/dbraw/zinc/83/47/67/979834767.db2.gz AEWZIJIBSZWXBU-JTQLQIEISA-N -1 0 243.347 2.430 20 0 BEADRM CCCC(C)(C)CC(=O)O[C@@H](C)C(=O)[O-] ZINC001605197376 979834823 /nfs/dbraw/zinc/83/48/23/979834823.db2.gz FZHKKMRUWNDSAB-QMMMGPOBSA-N -1 0 216.277 2.219 20 0 BEADRM 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/nfs/dbraw/zinc/95/79/21/385957921.db2.gz KPASTOMVWYIXFI-OUAUKWLOSA-N -1 0 241.331 2.182 20 0 BEADRM Cc1ccc(O)c(NC(=O)CC(C)(C)C)n1 ZINC000273519645 386010317 /nfs/dbraw/zinc/01/03/17/386010317.db2.gz QGKMVNGAIMVXQD-UHFFFAOYSA-N -1 0 222.288 2.470 20 0 BEADRM CCc1nc(=NC[C@@H]2CCCC2(F)F)s[n-]1 ZINC000390904986 386043865 /nfs/dbraw/zinc/04/38/65/386043865.db2.gz ZFVBVZLFWUMHSZ-ZETCQYMHSA-N -1 0 247.314 2.370 20 0 BEADRM C[C@@H](CC(F)(F)F)N=c1[n-]nc(C2CC2)o1 ZINC000336729380 386115094 /nfs/dbraw/zinc/11/50/94/386115094.db2.gz DBDFQSYVKWZMRA-YFKPBYRVSA-N -1 0 235.209 2.122 20 0 BEADRM CCCCN(C(=O)C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000274154821 386077637 /nfs/dbraw/zinc/07/76/37/386077637.db2.gz JMZRVFVBCXLBNZ-NSHDSACASA-N -1 0 249.310 2.461 20 0 BEADRM C[C@@H]1C[C@H]1CNC(=O)c1cc(O)ccc1Cl ZINC000235301215 386153762 /nfs/dbraw/zinc/15/37/62/386153762.db2.gz AZCWRSCTFMCPDA-SFYZADRCSA-N -1 0 239.702 2.431 20 0 BEADRM CCCC1(C(=O)N=c2cc(C)c(C)n[n-]2)CCC1 ZINC000346121913 386155943 /nfs/dbraw/zinc/15/59/43/386155943.db2.gz CBCGFNVQUAQPSI-UHFFFAOYSA-N -1 0 247.342 2.424 20 0 BEADRM CC1CCC(CC(=O)NCCCC(=O)[O-])CC1 ZINC000428081829 386201764 /nfs/dbraw/zinc/20/17/64/386201764.db2.gz CBTGMWGGTICGNB-UHFFFAOYSA-N -1 0 241.331 2.184 20 0 BEADRM CCc1cc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])ccc1C ZINC000310628221 386215154 /nfs/dbraw/zinc/21/51/54/386215154.db2.gz YABPHQDARSIHQF-RYUDHWBXSA-N -1 0 247.294 2.217 20 0 BEADRM CC/C=C/CNC(=O)c1s[n-]c(=O)c1Cl ZINC000297054713 386223907 /nfs/dbraw/zinc/22/39/07/386223907.db2.gz VVRDRXHXZQZVNM-ONEGZZNKSA-N -1 0 246.719 2.198 20 0 BEADRM CC[C@@H](O)CCCN=c1[n-]nc(C(C)C)s1 ZINC000336742774 386247993 /nfs/dbraw/zinc/24/79/93/386247993.db2.gz SNCBDMLSZQOEKR-SECBINFHSA-N -1 0 243.376 2.046 20 0 BEADRM Cc1n[nH]c(C)c1/C=C\c1cc(C(=O)[O-])ccn1 ZINC000340590544 386292585 /nfs/dbraw/zinc/29/25/85/386292585.db2.gz OZSLIZKRTNJNBH-ARJAWSKDSA-N -1 0 243.266 2.290 20 0 BEADRM Cc1cnc(N[C@H](CC(C)C)C(=O)[O-])s1 ZINC000416399069 386293890 /nfs/dbraw/zinc/29/38/90/386293890.db2.gz NYFSQNBJDHYQRG-MRVPVSSYSA-N -1 0 228.317 2.363 20 0 BEADRM CC1=C[C@@H](C)CN(c2cccc(C(=O)[O-])n2)C1 ZINC000416419367 386298882 /nfs/dbraw/zinc/29/88/82/386298882.db2.gz UWUFVFOYRKXKNW-SECBINFHSA-N -1 0 232.283 2.182 20 0 BEADRM CC(C)N(CCC(=O)[O-])C(=O)/C=C/C(C)(C)C ZINC000236754763 386309121 /nfs/dbraw/zinc/30/91/21/386309121.db2.gz PTUNJCBCCYALRM-SOFGYWHQSA-N -1 0 241.331 2.300 20 0 BEADRM CCN(CC(=O)[O-])C(=O)C=C1CCC(C)CC1 ZINC000236926166 386329077 /nfs/dbraw/zinc/32/90/77/386329077.db2.gz WAXFSXJLTIWCHI-UHFFFAOYSA-N -1 0 239.315 2.056 20 0 BEADRM C[C@H](CC(C)(C)C)NS(=O)(=O)c1ccco1 ZINC000416507715 386331289 /nfs/dbraw/zinc/33/12/89/386331289.db2.gz ORXKUMCPVZDTKU-SECBINFHSA-N -1 0 245.344 2.383 20 0 BEADRM Cc1ccc([C@H](CC(=O)[O-])NCc2ccco2)o1 ZINC000417575390 386403203 /nfs/dbraw/zinc/40/32/03/386403203.db2.gz SNCVIYNASWUIEM-NSHDSACASA-N -1 0 249.266 2.487 20 0 BEADRM CO[C@H](CSc1n[n-]c(=N)s1)CC(C)C ZINC000416883438 386408039 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/nfs/dbraw/zinc/54/79/29/386547929.db2.gz JTJYCVOARGNOSQ-SECBINFHSA-N -1 0 239.271 2.142 20 0 BEADRM CCCN(CC(=O)[O-])c1nc(CC)cs1 ZINC000061894093 386553131 /nfs/dbraw/zinc/55/31/31/386553131.db2.gz UQGWJNXJBNHXNI-UHFFFAOYSA-N -1 0 228.317 2.007 20 0 BEADRM Cc1ccc(OCCN=c2[n-]ncs2)c(C)c1 ZINC000519801649 386559622 /nfs/dbraw/zinc/55/96/22/386559622.db2.gz ZDFQVVMTZAWRLX-UHFFFAOYSA-N -1 0 249.339 2.068 20 0 BEADRM CC(C)CC[C@@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC000519830453 386564904 /nfs/dbraw/zinc/56/49/04/386564904.db2.gz ZNUZKHVPGSKVAG-MNOVXSKESA-N -1 0 243.347 2.284 20 0 BEADRM CC(C)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000300965365 386636017 /nfs/dbraw/zinc/63/60/17/386636017.db2.gz WALJGYWPWUGZQY-UHFFFAOYSA-N -1 0 215.199 2.483 20 0 BEADRM CC[C@H]1CC[C@H](C(=O)[N-]OCc2ccccc2)O1 ZINC000268378412 386649158 /nfs/dbraw/zinc/64/91/58/386649158.db2.gz XVBOPBRYHAGUNW-QWHCGFSZSA-N -1 0 249.310 2.192 20 0 BEADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC1 ZINC000278980611 386615415 /nfs/dbraw/zinc/61/54/15/386615415.db2.gz CWEWITDLBJMKFP-UHFFFAOYSA-N -1 0 229.638 2.031 20 0 BEADRM CCO[N-]C(=O)[C@@H](OC(C)C)c1ccccc1 ZINC000292428270 386667429 /nfs/dbraw/zinc/66/74/29/386667429.db2.gz LDZQNMBXLNOKSF-LBPRGKRZSA-N -1 0 237.299 2.220 20 0 BEADRM CCCC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000063008835 386694847 /nfs/dbraw/zinc/69/48/47/386694847.db2.gz YJOVJXNWZLMHAF-UHFFFAOYSA-N -1 0 225.219 2.263 20 0 BEADRM CC[C@@H](NC(=O)/C=C(\C)c1ccccc1)C(=O)[O-] ZINC000268934516 386723489 /nfs/dbraw/zinc/72/34/89/386723489.db2.gz MIEWVIPJPCRUGJ-BZYZDCJZSA-N -1 0 247.294 2.069 20 0 BEADRM Cc1cscc1CN=c1[n-]nc(C2CC2)o1 ZINC000336744171 386801909 /nfs/dbraw/zinc/80/19/09/386801909.db2.gz UQIBUTPJGDVQDL-UHFFFAOYSA-N -1 0 235.312 2.351 20 0 BEADRM FC(F)c1n[n-]c(=NCC23CCC(CC2)C3)o1 ZINC000367937063 386921805 /nfs/dbraw/zinc/92/18/05/386921805.db2.gz UFRLHGCTJRPHOC-UHFFFAOYSA-N -1 0 243.257 2.421 20 0 BEADRM CC[C@](C)(NC(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000094219102 386939048 /nfs/dbraw/zinc/93/90/48/386939048.db2.gz VVRQSZQEQCKYNQ-HBWSCVEGSA-N -1 0 247.294 2.069 20 0 BEADRM CCC[C@@](C)(CC)C(=O)N=c1nc(C)[n-]s1 ZINC000331104336 386962942 /nfs/dbraw/zinc/96/29/42/386962942.db2.gz PYOTVBKHMWHKCS-LLVKDONJSA-N -1 0 241.360 2.423 20 0 BEADRM CCCc1nc(=NC2CC(F)(F)C2)s[n-]1 ZINC000336745480 386987139 /nfs/dbraw/zinc/98/71/39/386987139.db2.gz AKLCAHYYUXBCSL-UHFFFAOYSA-N -1 0 233.287 2.122 20 0 BEADRM CC[C@H](NC(=O)C1(C)CCCCCC1)C(=O)[O-] ZINC000190909722 387036112 /nfs/dbraw/zinc/03/61/12/387036112.db2.gz KPUTUGBVEKMPDP-JTQLQIEISA-N -1 0 241.331 2.326 20 0 BEADRM Cc1n[n-]c(=NC[C@@H]2CCCC2(C)C)o1 ZINC000328768088 387053129 /nfs/dbraw/zinc/05/31/29/387053129.db2.gz QDBRYODHHJQDFM-VIFPVBQESA-N -1 0 209.293 2.038 20 0 BEADRM O=C([O-])c1coc(CNCc2cccc(F)c2)c1 ZINC000228158035 387079187 /nfs/dbraw/zinc/07/91/87/387079187.db2.gz AEKYAJKOZQHRAF-UHFFFAOYSA-N -1 0 249.241 2.407 20 0 BEADRM Cc1cc(=NC(=O)CC2CCCCC2)[n-]nc1C ZINC000359512036 387113625 /nfs/dbraw/zinc/11/36/25/387113625.db2.gz KINREBTYCGROHM-UHFFFAOYSA-N -1 0 247.342 2.424 20 0 BEADRM CCC(CC)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000062842093 387164390 /nfs/dbraw/zinc/16/43/90/387164390.db2.gz VXHUQOYHJLMBLT-UHFFFAOYSA-N -1 0 241.331 2.136 20 0 BEADRM C/C=C\C[C@H](NC(=O)C1=C(C)CCC1)C(=O)[O-] ZINC000571844301 387180709 /nfs/dbraw/zinc/18/07/09/387180709.db2.gz ZLTRLJCCXZLSDI-BYCRGOAPSA-N -1 0 237.299 2.022 20 0 BEADRM O=c1[n-]c(SC[C@@H]2CCCC(F)(F)C2)n[nH]1 ZINC000336357635 387187620 /nfs/dbraw/zinc/18/76/20/387187620.db2.gz MKYDHJAOTZTRFD-ZCFIWIBFSA-N -1 0 249.286 2.428 20 0 BEADRM C[C@H](C(=O)NCCCCCCC(=O)[O-])C1CC1 ZINC000162013090 387140750 /nfs/dbraw/zinc/14/07/50/387140750.db2.gz OVEPVFYKLMLQPH-JTQLQIEISA-N -1 0 241.331 2.184 20 0 BEADRM CCC[C@H]1CCC[C@@H]1C(=O)NCCCC(=O)[O-] ZINC000572137000 387249381 /nfs/dbraw/zinc/24/93/81/387249381.db2.gz SCYYPDBCLSFVPR-QWRGUYRKSA-N -1 0 241.331 2.184 20 0 BEADRM Cc1ccc(C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000261593516 387317065 /nfs/dbraw/zinc/31/70/65/387317065.db2.gz ZFHNYSDMPJMIDB-UHFFFAOYSA-N -1 0 249.310 2.226 20 0 BEADRM CC[C@@H](F)CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000514867333 387303434 /nfs/dbraw/zinc/30/34/34/387303434.db2.gz UWMLUBHBRBLJAX-SECBINFHSA-N -1 0 243.278 2.466 20 0 BEADRM N#CNc1ccc(Br)cc1C(=O)[O-] ZINC000575498469 387341821 /nfs/dbraw/zinc/34/18/21/387341821.db2.gz YPYTWKAQBHRCEK-UHFFFAOYSA-N -1 0 241.044 2.040 20 0 BEADRM Cc1cc(=NC(=O)[C@@H](C)CC(C)C)[n-]nc1C ZINC000360802450 387352769 /nfs/dbraw/zinc/35/27/69/387352769.db2.gz MXBQLRJEHHAQLE-JTQLQIEISA-N -1 0 235.331 2.136 20 0 BEADRM C[C@H](CNC(=O)CCC(=O)[O-])C1CCCCC1 ZINC000515870479 387439966 /nfs/dbraw/zinc/43/99/66/387439966.db2.gz PJCZOCHQIQXVCX-SNVBAGLBSA-N -1 0 241.331 2.184 20 0 BEADRM C[C@@H](CC(=O)[O-])Nc1ccnc(C(F)(F)F)c1 ZINC000304229290 387450359 /nfs/dbraw/zinc/45/03/59/387450359.db2.gz AGMJRQZLBBSQIM-LURJTMIESA-N -1 0 248.204 2.376 20 0 BEADRM Cc1nc(=NCC2Cc3ccccc3C2)s[n-]1 ZINC000361021544 387390730 /nfs/dbraw/zinc/39/07/30/387390730.db2.gz GZJVNCIOJKOXQB-UHFFFAOYSA-N -1 0 245.351 2.095 20 0 BEADRM CCCCC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000013443414 387392905 /nfs/dbraw/zinc/39/29/05/387392905.db2.gz PMWHPIZRDFDZQM-UHFFFAOYSA-N -1 0 249.310 2.234 20 0 BEADRM CCc1nc(=NCc2cc(C)nc(C)c2)s[n-]1 ZINC000516444855 387508271 /nfs/dbraw/zinc/50/82/71/387508271.db2.gz MTXQKEOAQTYECA-UHFFFAOYSA-N -1 0 248.355 2.146 20 0 BEADRM CCc1nc(=N[C@@H]2C[C@]2(C)C(C)C)s[n-]1 ZINC000397130430 387544219 /nfs/dbraw/zinc/54/42/19/387544219.db2.gz UXOAIUSXKDSHLJ-LDYMZIIASA-N -1 0 225.361 2.369 20 0 BEADRM CCC(CC)[S@](=O)[C@H](C(=O)[O-])C(C)C ZINC000162668371 387471906 /nfs/dbraw/zinc/47/19/06/387471906.db2.gz QUMHBMBXBCDLAN-LKFCYVNXSA-N -1 0 220.334 2.033 20 0 BEADRM CC[C@@H](C)CC(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000362439746 387611793 /nfs/dbraw/zinc/61/17/93/387611793.db2.gz KVGQXTRPVWXLFK-SECBINFHSA-N -1 0 233.315 2.151 20 0 BEADRM Cc1ccc(NC(=O)c2c([O-])cccc2F)nc1 ZINC000125246206 387649165 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BEADRM CC[C@@H]1CC[C@H](C)N(c2cncc(C(=O)[O-])n2)C1 ZINC000312689038 411299647 /nfs/dbraw/zinc/29/96/47/411299647.db2.gz NMWYPNUOCFFXIO-VHSXEESVSA-N -1 0 249.314 2.190 20 0 BEADRM CC(C)c1cccc(C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000659131717 411372959 /nfs/dbraw/zinc/37/29/59/411372959.db2.gz VVSCRSAFSRDULB-SECBINFHSA-N -1 0 235.283 2.013 20 0 BEADRM O=C([O-])c1coc(NCCCC2CCC2)n1 ZINC000656783217 411359827 /nfs/dbraw/zinc/35/98/27/411359827.db2.gz IKBRDLCNWOVLQC-UHFFFAOYSA-N -1 0 224.260 2.365 20 0 BEADRM CC[C@@H](C)CCNC(=O)C[C@@H](C)CC(=O)[O-] ZINC000659170695 411373603 /nfs/dbraw/zinc/37/36/03/411373603.db2.gz SHECCMHNTSWAFS-NXEZZACHSA-N -1 0 229.320 2.040 20 0 BEADRM CCC[C@](C)(NC(=O)[C@H]1CCC1(C)C)C(=O)[O-] ZINC000659124800 411370574 /nfs/dbraw/zinc/37/05/74/411370574.db2.gz CAXUOXWCMOJLLF-RNCFNFMXSA-N -1 0 241.331 2.182 20 0 BEADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1CCC1(C)C ZINC000659126484 411371190 /nfs/dbraw/zinc/37/11/90/411371190.db2.gz JAGJHBHSPMBEOB-VIFPVBQESA-N -1 0 241.331 2.182 20 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Cc1oc(C(=O)[O-])cc1C(=O)N(C)C(C)(C)C ZINC000659162898 411374723 /nfs/dbraw/zinc/37/47/23/411374723.db2.gz CHRPQUWYGMGAJS-UHFFFAOYSA-N -1 0 239.271 2.157 20 0 BEADRM CC[C@@H](C)CCNC(=O)c1cc(C(=O)[O-])co1 ZINC000659170683 411375658 /nfs/dbraw/zinc/37/56/58/411375658.db2.gz RQSHCUNONJNPJR-MRVPVSSYSA-N -1 0 239.271 2.144 20 0 BEADRM CCC[C@H](C)N(C)c1ncc(C(=O)[O-])s1 ZINC000054909898 411387943 /nfs/dbraw/zinc/38/79/43/411387943.db2.gz LKDOATODZZKBPW-ZETCQYMHSA-N -1 0 228.317 2.466 20 0 BEADRM CCC(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000022142628 168242406 /nfs/dbraw/zinc/24/24/06/168242406.db2.gz CELJXQNSRWRMQT-UHFFFAOYSA-N -1 0 213.258 2.103 20 0 BEADRM CCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000132359130 168243682 /nfs/dbraw/zinc/24/36/82/168243682.db2.gz CQFJZPOJFXCNTF-UHFFFAOYSA-N -1 0 235.283 2.397 20 0 BEADRM Cc1ccc(NC(=O)[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000656848135 411384425 /nfs/dbraw/zinc/38/44/25/411384425.db2.gz ZYKBJONPOMNZDQ-NSHDSACASA-N -1 0 233.267 2.044 20 0 BEADRM 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ZINC000832841628 587693245 /nfs/dbraw/zinc/69/32/45/587693245.db2.gz HIVDGKYNERWVJJ-UHFFFAOYSA-N -1 0 249.266 2.415 20 0 BEADRM Cc1cc(COC(=O)C2(C)CC2)oc1C(=O)[O-] ZINC000832884349 587694074 /nfs/dbraw/zinc/69/40/74/587694074.db2.gz CMQNBIFMSZIEGE-UHFFFAOYSA-N -1 0 238.239 2.130 20 0 BEADRM Cc1ccc(COC(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000832933733 587694665 /nfs/dbraw/zinc/69/46/65/587694665.db2.gz DLTCIWWEIZRKPI-JTQLQIEISA-N -1 0 236.267 2.149 20 0 BEADRM Cc1ccc([C@@H](C)NC(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000832920292 587694823 /nfs/dbraw/zinc/69/48/23/587694823.db2.gz BULGAJGMZSWEKJ-GHMZBOCLSA-N -1 0 249.310 2.283 20 0 BEADRM Cc1ccc(NC(=O)[C@H](C)CC(=O)[O-])cc1F ZINC000832943440 587695660 /nfs/dbraw/zinc/69/56/60/587695660.db2.gz YYSHVIOHRXQNCF-MRVPVSSYSA-N -1 0 239.246 2.183 20 0 BEADRM Cc1cccc(C)c1CNC(=O)[C@H](C)CC(=O)[O-] ZINC000832964908 587695718 /nfs/dbraw/zinc/69/57/18/587695718.db2.gz UHKLTEIFSGHLCB-LLVKDONJSA-N -1 0 249.310 2.030 20 0 BEADRM Cc1ccc([C@H](C)OC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000832957267 587696031 /nfs/dbraw/zinc/69/60/31/587696031.db2.gz HRACMDLJTSDKND-WCQGTBRESA-N -1 0 248.278 2.320 20 0 BEADRM Cc1ccc2c(c1)O[C@@H](C)CN2CCCC(=O)[O-] ZINC000832958897 587696055 /nfs/dbraw/zinc/69/60/55/587696055.db2.gz AZEKNERIJYAQPJ-NSHDSACASA-N -1 0 249.310 2.447 20 0 BEADRM Cc1ccc2c(c1)N(CCCC(=O)[O-])C[C@@H](C)O2 ZINC000832960068 587696060 /nfs/dbraw/zinc/69/60/60/587696060.db2.gz KXSFMMVTGNXPBD-LLVKDONJSA-N -1 0 249.310 2.447 20 0 BEADRM Cc1nc(C(=O)[O-])cn1Cc1ncc(C(C)C)o1 ZINC000832996519 587697268 /nfs/dbraw/zinc/69/72/68/587697268.db2.gz TZZPQDBRXCOBAB-UHFFFAOYSA-N -1 0 249.270 2.049 20 0 BEADRM Cc1sc(C(=O)[O-])cc1COC(=O)C1CC1 ZINC000833031451 587697614 /nfs/dbraw/zinc/69/76/14/587697614.db2.gz KAYYZQWYOLODSW-UHFFFAOYSA-N -1 0 240.280 2.208 20 0 BEADRM O=C(/C=C\C1CC1)Nc1sccc1C(=O)[O-] ZINC000833092301 587700394 /nfs/dbraw/zinc/70/03/94/587700394.db2.gz BNMZSAVMKPSINQ-ARJAWSKDSA-N -1 0 237.280 2.351 20 0 BEADRM O=C([O-])CCCCCCNC(=O)/C=C\C1CC1 ZINC000833225240 587702770 /nfs/dbraw/zinc/70/27/70/587702770.db2.gz PJFXQKQTHZMMTR-HJWRWDBZSA-N -1 0 239.315 2.104 20 0 BEADRM O=C([O-])CSCc1cccc2nsnc21 ZINC000833262423 587703338 /nfs/dbraw/zinc/70/33/38/587703338.db2.gz CTKISMIMNOQPLL-UHFFFAOYSA-N -1 0 240.309 2.009 20 0 BEADRM O=C([O-])Cc1ccc(NC(=O)C=C2CCC2)cc1 ZINC000833266744 587703732 /nfs/dbraw/zinc/70/37/32/587703732.db2.gz RDJIKEMHANFRBX-UHFFFAOYSA-N -1 0 245.278 2.363 20 0 BEADRM O=C([O-])Nc1ccccc1C(=O)OCCCF ZINC000833288213 587704554 /nfs/dbraw/zinc/70/45/54/587704554.db2.gz SUOULHZVUVQDKI-UHFFFAOYSA-N -1 0 241.218 2.293 20 0 BEADRM O=C([O-])Nc1cccc(C(=O)OC2CCC2)c1 ZINC000833291847 587704866 /nfs/dbraw/zinc/70/48/66/587704866.db2.gz WASZWTVEUDXQEO-UHFFFAOYSA-N -1 0 235.239 2.486 20 0 BEADRM O=C([O-])c1ccccc1C(=O)OCCC1CC1 ZINC000833332885 587706315 /nfs/dbraw/zinc/70/63/15/587706315.db2.gz KPUOFNVKPFWMJV-UHFFFAOYSA-N -1 0 234.251 2.342 20 0 BEADRM O=C([O-])c1csc(NC(=O)c2cc[nH]c2)c1 ZINC000833342611 587706681 /nfs/dbraw/zinc/70/66/81/587706681.db2.gz HGBWHDNJBWZVHZ-UHFFFAOYSA-N -1 0 236.252 2.027 20 0 BEADRM O=C([O-])c1ccccc1OC(=O)C1=CCCC1 ZINC000833354016 587707451 /nfs/dbraw/zinc/70/74/51/587707451.db2.gz DAJWHMPLFDGYFS-UHFFFAOYSA-N -1 0 232.235 2.401 20 0 BEADRM C/C(=C/C(=O)Nc1ccc(C(=O)[O-])nc1)C1CC1 ZINC000833382219 587712021 /nfs/dbraw/zinc/71/20/21/587712021.db2.gz LHVZJXDYNSWSAZ-VURMDHGXSA-N -1 0 246.266 2.075 20 0 BEADRM C/C(=C/CSC1=N[C@@H](C)CS1)C(=O)[O-] ZINC000833384939 587712258 /nfs/dbraw/zinc/71/22/58/587712258.db2.gz RWDOZHNMVYAVRQ-NFNQMPKISA-N -1 0 231.342 2.242 20 0 BEADRM C/C(=C\CN1CCc2cc(C)ccc21)C(=O)[O-] ZINC000833385246 587712331 /nfs/dbraw/zinc/71/23/31/587712331.db2.gz UYIGHZTVZMLIIZ-VZUCSPMQSA-N -1 0 231.295 2.388 20 0 BEADRM C/C(=C/COC(=O)[C@@H]1CCC(C)(C)C1)C(=O)[O-] ZINC000833383646 587712600 /nfs/dbraw/zinc/71/26/00/587712600.db2.gz NSMXOAJVYTZWCF-HYHWUIIZSA-N -1 0 240.299 2.387 20 0 BEADRM C[C@@H](C(=O)[O-])N1Cc2ccccc2C(F)(F)C1 ZINC000833406457 587713426 /nfs/dbraw/zinc/71/34/26/587713426.db2.gz GURFWKMQOBEILM-QMMMGPOBSA-N -1 0 241.237 2.067 20 0 BEADRM CC(C)(C)C[C@H](OC(=O)C1CCC1)C(=O)[O-] ZINC000833428314 587714603 /nfs/dbraw/zinc/71/46/03/587714603.db2.gz QJWRCGJDISLNBJ-VIFPVBQESA-N -1 0 228.288 2.219 20 0 BEADRM CC(C)=CC(=O)O[C@H](CC(C)(C)C)C(=O)[O-] ZINC000833462740 587715768 /nfs/dbraw/zinc/71/57/68/587715768.db2.gz RBWFPVXNFVVMDD-SECBINFHSA-N -1 0 228.288 2.385 20 0 BEADRM CC(C)(F)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000833460289 587716039 /nfs/dbraw/zinc/71/60/39/587716039.db2.gz ZKKRYJLWYDCVAO-UHFFFAOYSA-N -1 0 246.259 2.238 20 0 BEADRM CC(C)C[C@H](OC(=O)[C@@H]1CCC[C@H]1C)C(=O)[O-] ZINC000833479557 587716734 /nfs/dbraw/zinc/71/67/34/587716734.db2.gz HXXBUCJRJRQQRM-MXWKQRLJSA-N -1 0 242.315 2.465 20 0 BEADRM CC(C)C[C@H](C)OC(=O)C(C)(C)NC(=O)[O-] ZINC000833474964 587716806 /nfs/dbraw/zinc/71/68/06/587716806.db2.gz DAJAHFWWFPXEOB-QMMMGPOBSA-N -1 0 231.292 2.010 20 0 BEADRM CC(C)CCCSC[C@H]1CC(C(=O)[O-])=NO1 ZINC000833482876 587717047 /nfs/dbraw/zinc/71/70/47/587717047.db2.gz BFEWDRBNIPUAEV-SECBINFHSA-N -1 0 245.344 2.385 20 0 BEADRM CC1(C)C(C(=O)OCCCC(=O)[O-])C1(C)C ZINC000833555370 587720051 /nfs/dbraw/zinc/72/00/51/587720051.db2.gz MCQBFIVYHJFKCW-UHFFFAOYSA-N -1 0 228.288 2.077 20 0 BEADRM CC1(CNC(=O)[O-])Cc2ccccc2C1 ZINC000833563666 587720634 /nfs/dbraw/zinc/72/06/34/587720634.db2.gz MUFRTJZNRYCTBM-UHFFFAOYSA-N -1 0 205.257 2.059 20 0 BEADRM CC1=C(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CCC1 ZINC000833575706 587721366 /nfs/dbraw/zinc/72/13/66/587721366.db2.gz KWDHWRJUZNCEGL-UHFFFAOYSA-N -1 0 248.282 2.162 20 0 BEADRM CC1=C(C(=O)[O-])C[C@H](CN(C)c2ccccc2)O1 ZINC000833584312 587722090 /nfs/dbraw/zinc/72/20/90/587722090.db2.gz OOHNAPQMGARHOR-GFCCVEGCSA-N -1 0 247.294 2.270 20 0 BEADRM C[C@@H](OC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)[O-] ZINC000833588415 587722500 /nfs/dbraw/zinc/72/25/00/587722500.db2.gz HSDDFMMKRZBZCM-BBBLOLIVSA-N -1 0 242.315 2.465 20 0 BEADRM C[C@@H]1CC[C@@H](C(=O)Nc2cc(C(=O)[O-])ccn2)C1 ZINC000833600020 587722862 /nfs/dbraw/zinc/72/28/62/587722862.db2.gz AWSWNTWNNSQCEC-RKDXNWHRSA-N -1 0 248.282 2.155 20 0 BEADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1CC[C@H](C)C1 ZINC000833603531 587723398 /nfs/dbraw/zinc/72/33/98/587723398.db2.gz VKJVKUWCTPWBNP-WDEREUQCSA-N -1 0 241.331 2.134 20 0 BEADRM C[C@H]1CC[C@@H](C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1 ZINC000833604286 587723418 /nfs/dbraw/zinc/72/34/18/587723418.db2.gz YVNHTCHGKQAZRF-IVZWLZJFSA-N -1 0 241.331 2.038 20 0 BEADRM C[C@H]1C[C@@H]1COC(=O)C1CCC(C(=O)[O-])CC1 ZINC000833606215 587723674 /nfs/dbraw/zinc/72/36/74/587723674.db2.gz XOQBTYNTFGTYAN-IDWGSYCQSA-N -1 0 240.299 2.077 20 0 BEADRM C[C@@H]1CC[C@H](C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC000833606694 587723728 /nfs/dbraw/zinc/72/37/28/587723728.db2.gz UEADIDNFRAEIRW-BDAKNGLRSA-N -1 0 248.282 2.155 20 0 BEADRM C[C@H]1CC[C@H](C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC000833606696 587723794 /nfs/dbraw/zinc/72/37/94/587723794.db2.gz UEADIDNFRAEIRW-IUCAKERBSA-N -1 0 248.282 2.155 20 0 BEADRM C[C@@H]1CCC[C@@H](OC(=O)CCNC(=O)[O-])[C@H]1C ZINC000833609830 587724427 /nfs/dbraw/zinc/72/44/27/587724427.db2.gz SWAZORPGKRUUNC-KXUCPTDWSA-N -1 0 243.303 2.012 20 0 BEADRM C[C@H]1CC[C@H](OC(=O)CCCN(C)C(=O)[O-])C1 ZINC000833611903 587724497 /nfs/dbraw/zinc/72/44/97/587724497.db2.gz QYUAZPNKCBYJCA-UWVGGRQHSA-N -1 0 243.303 2.108 20 0 BEADRM CC[C@H](OC(=O)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000833644654 587725981 /nfs/dbraw/zinc/72/59/81/587725981.db2.gz CPKJJPMCPOILEA-ONGXEEELSA-N -1 0 236.267 2.197 20 0 BEADRM CCC(CC)CCOC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000833642324 587726024 /nfs/dbraw/zinc/72/60/24/587726024.db2.gz LECWKFCECAALOO-NXEZZACHSA-N -1 0 228.288 2.077 20 0 BEADRM CC[C@H](OC(=O)CCC(C)(C)C)C(=O)[O-] ZINC000833644323 587726135 /nfs/dbraw/zinc/72/61/35/587726135.db2.gz HRVANKOUBISSSD-QMMMGPOBSA-N -1 0 216.277 2.219 20 0 BEADRM CCC[C@@H](C(=O)OCCCC(=O)[O-])C(C)C ZINC000833648873 587726946 /nfs/dbraw/zinc/72/69/46/587726946.db2.gz ZCQZBEFTSSEQKE-SNVBAGLBSA-N -1 0 230.304 2.467 20 0 BEADRM CCc1nsc(N[C@H](C(=O)[O-])C(C)(C)C)n1 ZINC000833677995 587727838 /nfs/dbraw/zinc/72/78/38/587727838.db2.gz HVUGDPMEMTZSMP-SSDOTTSWSA-N -1 0 243.332 2.012 20 0 BEADRM CN(Cc1ccc(C(=O)[O-])[nH]1)c1ccccc1 ZINC000833696645 587728287 /nfs/dbraw/zinc/72/82/87/587728287.db2.gz PRBSYTADDRSTOM-UHFFFAOYSA-N -1 0 230.267 2.349 20 0 BEADRM CS/C=C/C(=O)O[C@H](CC(C)(C)C)C(=O)[O-] ZINC000833738656 587729551 /nfs/dbraw/zinc/72/95/51/587729551.db2.gz PJIWRJGHCMDUKP-HQZHTGGTSA-N -1 0 246.328 2.296 20 0 BEADRM Cc1cnc(CSC[C@@H](C)C(=O)[O-])s1 ZINC000833753997 587730324 /nfs/dbraw/zinc/73/03/24/587730324.db2.gz JQESMWMOOABWCZ-ZCFIWIBFSA-N -1 0 231.342 2.405 20 0 BEADRM O=C([O-])c1occc1CS[C@H]1CCCOC1 ZINC000833785288 587731340 /nfs/dbraw/zinc/73/13/40/587731340.db2.gz OCQPEOPWNNCOFT-VIFPVBQESA-N -1 0 242.296 2.390 20 0 BEADRM O=C([O-])c1occc1CNc1ccccc1CO ZINC000833785186 587731559 /nfs/dbraw/zinc/73/15/59/587731559.db2.gz IPNKNNMRCNPOBC-UHFFFAOYSA-N -1 0 247.250 2.082 20 0 BEADRM CC(C)(C)CC(=O)OCC(C)(C)NC(=O)[O-] ZINC000833790039 587731782 /nfs/dbraw/zinc/73/17/82/587731782.db2.gz PMWUWHKDJMNOSU-UHFFFAOYSA-N -1 0 231.292 2.012 20 0 BEADRM CC(C)(C)/C=C\C(=O)OCC(C)(C)NC(=O)[O-] ZINC000833790363 587731863 /nfs/dbraw/zinc/73/18/63/587731863.db2.gz RCXKZQYEDSNPJP-SREVYHEPSA-N -1 0 243.303 2.178 20 0 BEADRM Cc1ccc(NC(=O)CN(C(=O)[O-])C2CC2)cc1 ZINC000833904095 587739196 /nfs/dbraw/zinc/73/91/96/587739196.db2.gz ACQIVMZGWRCAJF-UHFFFAOYSA-N -1 0 248.282 2.076 20 0 BEADRM O=C([O-])N(CCCO)Cc1cccc(Cl)c1 ZINC000834063281 587743501 /nfs/dbraw/zinc/74/35/01/587743501.db2.gz VCPXALYTCSWJQT-UHFFFAOYSA-N -1 0 243.690 2.202 20 0 BEADRM O=C([O-])N1CCC(CCCn2ccnc2)CC1 ZINC000834078896 587744433 /nfs/dbraw/zinc/74/44/33/587744433.db2.gz QNBFFYMGKBUJLS-UHFFFAOYSA-N -1 0 237.303 2.053 20 0 BEADRM O=C([O-])N1CCC(CSCC(F)F)CC1 ZINC000834081217 587744631 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