smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[S@@](Cc1nccs1)c1ccc([O-])cc1 ZINC000160657129 323076394 /nfs/dbraw/zinc/07/63/94/323076394.db2.gz FRNOOHJULCZMDU-OAHLLOKOSA-N -1 3 239.321 2.157 20 70 BEIDHM COc1ccc([O-])c(C(=O)N2CC=C(C)CC2)c1 ZINC000160229818 187301228 /nfs/dbraw/zinc/30/12/28/187301228.db2.gz RGPNSMQXZURLEF-UHFFFAOYSA-N -1 3 247.294 2.193 20 70 BEIDHM CCCCCC(=O)[N-]OCc1cccnc1 ZINC000160767535 384434116 /nfs/dbraw/zinc/43/41/16/384434116.db2.gz OVQGFAGTJDNWLG-UHFFFAOYSA-N -1 3 222.288 2.210 20 70 BEIDHM CS[C@@H](C)CNC(=O)c1ccc(C)cc1[O-] ZINC000159529288 175544086 /nfs/dbraw/zinc/54/40/86/175544086.db2.gz CANAJIAFBZJSTP-VIFPVBQESA-N -1 3 239.340 2.182 20 70 BEIDHM CC1(C)C[C@H](NC(=O)c2cccc([O-])c2)CCO1 ZINC000159994341 346437357 /nfs/dbraw/zinc/43/73/57/346437357.db2.gz HZLJREIZMGEULY-LLVKDONJSA-N -1 3 249.310 2.080 20 70 BEIDHM C[C@H]1CC[C@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000218086863 134251772 /nfs/dbraw/zinc/25/17/72/134251772.db2.gz HDONWMFSBJDDJF-IUCAKERBSA-N -1 3 235.283 2.016 20 70 BEIDHM CCO[N-]C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000159593037 384341068 /nfs/dbraw/zinc/34/10/68/384341068.db2.gz XKQHLWPADYCPPO-IUCAKERBSA-N -1 3 241.237 2.136 20 70 BEIDHM CC(C)CCC(=O)[N-]OCc1cccnc1 ZINC000160852750 384440705 /nfs/dbraw/zinc/44/07/05/384440705.db2.gz UBPQCTHIMUQBCI-UHFFFAOYSA-N -1 3 222.288 2.066 20 70 BEIDHM Cc1ccc(NC(=O)C2(C)CC2)c([O-])c1 ZINC000160399481 323065579 /nfs/dbraw/zinc/06/55/79/323065579.db2.gz BDWNCKMHRHJZLI-UHFFFAOYSA-N -1 3 205.257 2.439 20 70 BEIDHM CCc1cnc(NC([O-])=NOCC(C)C)s1 ZINC000160620228 346459544 /nfs/dbraw/zinc/45/95/44/346459544.db2.gz SCLCBKCPMAORBS-UHFFFAOYSA-N -1 3 243.332 2.415 20 70 BEIDHM CCc1cnc(NC(=O)[N-]OCC(C)C)s1 ZINC000160620228 346459547 /nfs/dbraw/zinc/45/95/47/346459547.db2.gz SCLCBKCPMAORBS-UHFFFAOYSA-N -1 3 243.332 2.415 20 70 BEIDHM C[C@@H]1C[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC000161307502 349419457 /nfs/dbraw/zinc/41/94/57/349419457.db2.gz VZHCCDPAKBAXMI-ZJUUUORDSA-N -1 3 219.284 2.263 20 70 BEIDHM O=C(CC1CCCC1)[N-]OCc1cccnc1 ZINC000160829781 188334382 /nfs/dbraw/zinc/33/43/82/188334382.db2.gz SSBVRCDPPPKJHZ-UHFFFAOYSA-N -1 3 234.299 2.210 20 70 BEIDHM CCO[N-]C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000159592644 384341367 /nfs/dbraw/zinc/34/13/67/384341367.db2.gz XKQHLWPADYCPPO-RKDXNWHRSA-N -1 3 241.237 2.136 20 70 BEIDHM CO[C@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000160615498 384423306 /nfs/dbraw/zinc/42/33/06/384423306.db2.gz VKVFQCFVPNDJMB-SSDOTTSWSA-N -1 3 220.228 2.150 20 70 BEIDHM CC1([N-]S(=O)(=O)c2ccccc2F)CCC1 ZINC000159990424 168063979 /nfs/dbraw/zinc/06/39/79/168063979.db2.gz AAYKDMNMDURHNL-UHFFFAOYSA-N -1 3 243.303 2.047 20 70 BEIDHM Cc1cccc(C(=O)N2CC=C(C)CC2)c1[O-] ZINC000160228781 168108917 /nfs/dbraw/zinc/10/89/17/168108917.db2.gz HMOHTWVIPDZXNV-UHFFFAOYSA-N -1 3 231.295 2.493 20 70 BEIDHM CC[C@@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160203553 384392277 /nfs/dbraw/zinc/39/22/77/384392277.db2.gz SKKBEOLTSBOQBG-SSDOTTSWSA-N -1 3 248.286 2.358 20 70 BEIDHM CC[C@@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160203553 384392282 /nfs/dbraw/zinc/39/22/82/384392282.db2.gz SKKBEOLTSBOQBG-SSDOTTSWSA-N -1 3 248.286 2.358 20 70 BEIDHM CC[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160203553 384392290 /nfs/dbraw/zinc/39/22/90/384392290.db2.gz SKKBEOLTSBOQBG-SSDOTTSWSA-N -1 3 248.286 2.358 20 70 BEIDHM C[C@@H]1CC[C@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000218086789 134251688 /nfs/dbraw/zinc/25/16/88/134251688.db2.gz HDONWMFSBJDDJF-BDAKNGLRSA-N -1 3 235.283 2.016 20 70 BEIDHM C[C@@H]1CC[C@@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000218086634 134251755 /nfs/dbraw/zinc/25/17/55/134251755.db2.gz HDONWMFSBJDDJF-RKDXNWHRSA-N -1 3 235.283 2.016 20 70 BEIDHM CC1=CCN(C(=O)c2ccccc2[O-])CC1 ZINC000159967459 168108696 /nfs/dbraw/zinc/10/86/96/168108696.db2.gz HWGPMLONVQTDEK-UHFFFAOYSA-N -1 3 217.268 2.184 20 70 BEIDHM Cc1ccc(-c2nnc(NC(=O)CC3CC3)[n-]2)o1 ZINC000160338413 178341414 /nfs/dbraw/zinc/34/14/14/178341414.db2.gz SDZWFIDPOQJITB-UHFFFAOYSA-N -1 3 246.270 2.112 20 70 BEIDHM Cc1ccc(-c2n[n-]c(NC(=O)CC3CC3)n2)o1 ZINC000160338413 178341418 /nfs/dbraw/zinc/34/14/18/178341418.db2.gz SDZWFIDPOQJITB-UHFFFAOYSA-N -1 3 246.270 2.112 20 70 BEIDHM Cc1ccc(-c2nc(NC(=O)CC3CC3)n[n-]2)o1 ZINC000160338413 178341420 /nfs/dbraw/zinc/34/14/20/178341420.db2.gz SDZWFIDPOQJITB-UHFFFAOYSA-N -1 3 246.270 2.112 20 70 BEIDHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](CC)C2)n1 ZINC000160819203 384437012 /nfs/dbraw/zinc/43/70/12/384437012.db2.gz FSHVVCJXNSRFMU-LLVKDONJSA-N -1 3 249.358 2.367 20 70 BEIDHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCCO1 ZINC000160008604 182349480 /nfs/dbraw/zinc/34/94/80/182349480.db2.gz AHZROLAYFXXRCA-NSHDSACASA-N -1 3 239.246 2.039 20 70 BEIDHM CCc1cc(=O)[n-]c(CN2C[C@H](C)C[C@H](C)C2)n1 ZINC000160478111 388070101 /nfs/dbraw/zinc/07/01/01/388070101.db2.gz FOYYILZLOSPVDQ-PHIMTYICSA-N -1 3 249.358 2.223 20 70 BEIDHM CS[C@H](C)CNC(=O)c1cccc(C)c1[O-] ZINC000159530736 384338821 /nfs/dbraw/zinc/33/88/21/384338821.db2.gz DHYGUIIVGPQVFI-SECBINFHSA-N -1 3 239.340 2.182 20 70 BEIDHM CCc1cc(=O)[n-]c(CN2CCC(CC)CC2)n1 ZINC000160938739 384448738 /nfs/dbraw/zinc/44/87/38/384448738.db2.gz LDSWSAOQGWVAIM-UHFFFAOYSA-N -1 3 249.358 2.367 20 70 BEIDHM CC(C)(C)CC(=O)[N-]OCc1cccnc1 ZINC000160829178 384441222 /nfs/dbraw/zinc/44/12/22/384441222.db2.gz ZNIIWUAMVAUJLV-UHFFFAOYSA-N -1 3 222.288 2.066 20 70 BEIDHM Cc1ccc(C(=O)N2CC=C(C)CC2)c([O-])c1 ZINC000160229216 168109035 /nfs/dbraw/zinc/10/90/35/168109035.db2.gz BPQYCLOYYLQYLJ-UHFFFAOYSA-N -1 3 231.295 2.493 20 70 BEIDHM CN(Cc1cc([O-])cc(F)c1)CC(F)F ZINC000159852637 361293066 /nfs/dbraw/zinc/29/30/66/361293066.db2.gz VYJUVNFUVWVIFW-UHFFFAOYSA-N -1 3 219.206 2.228 20 70 BEIDHM C[C@H]([N-]C(=O)C(F)F)c1ccc(F)c(F)c1 ZINC000217637390 385888237 /nfs/dbraw/zinc/88/82/37/385888237.db2.gz WNCXFALNSBKLGQ-YFKPBYRVSA-N -1 3 235.180 2.407 20 70 BEIDHM CCc1cc(=O)[n-]c(CN(C)CCC(C)C)n1 ZINC000160936969 538913403 /nfs/dbraw/zinc/91/34/03/538913403.db2.gz IHYFETAIEWIXOA-UHFFFAOYSA-N -1 3 237.347 2.223 20 70 BEIDHM Cc1ccc(-c2nnc(NC(=O)CC(C)C)[n-]2)o1 ZINC000160400538 178341001 /nfs/dbraw/zinc/34/10/01/178341001.db2.gz HRCBUWLSEJYQNT-UHFFFAOYSA-N -1 3 248.286 2.358 20 70 BEIDHM Cc1ccc(-c2n[n-]c(NC(=O)CC(C)C)n2)o1 ZINC000160400538 178341005 /nfs/dbraw/zinc/34/10/05/178341005.db2.gz HRCBUWLSEJYQNT-UHFFFAOYSA-N -1 3 248.286 2.358 20 70 BEIDHM Cc1ccc(-c2nc(NC(=O)CC(C)C)n[n-]2)o1 ZINC000160400538 178341006 /nfs/dbraw/zinc/34/10/06/178341006.db2.gz HRCBUWLSEJYQNT-UHFFFAOYSA-N -1 3 248.286 2.358 20 70 BEIDHM Cc1cccc2c(=O)c(C(=O)N3CCC3)c[n-]c12 ZINC000161507364 179211589 /nfs/dbraw/zinc/21/15/89/179211589.db2.gz WCLOHAZIRMFPMY-UHFFFAOYSA-N -1 3 242.278 2.095 20 70 BEIDHM C[C@@H]1C[C@H](C)CN1C(=O)c1ccccc1[O-] ZINC000161307863 349419489 /nfs/dbraw/zinc/41/94/89/349419489.db2.gz VZHCCDPAKBAXMI-VHSXEESVSA-N -1 3 219.284 2.263 20 70 BEIDHM CS[C@H](C)CNC(=O)c1ccc(C)cc1[O-] ZINC000159529180 384338761 /nfs/dbraw/zinc/33/87/61/384338761.db2.gz CANAJIAFBZJSTP-SECBINFHSA-N -1 3 239.340 2.182 20 70 BEIDHM Cc1ccc([O-])c(C(=O)N2CC=C(C)CC2)c1 ZINC000160228146 168108201 /nfs/dbraw/zinc/10/82/01/168108201.db2.gz ACPLWXQUNJPKON-UHFFFAOYSA-N -1 3 231.295 2.493 20 70 BEIDHM C[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC000161307732 349419926 /nfs/dbraw/zinc/41/99/26/349419926.db2.gz VZHCCDPAKBAXMI-NXEZZACHSA-N -1 3 219.284 2.263 20 70 BEIDHM CCc1cc(=O)[n-]c(CN2CCCC[C@H]2C)n1 ZINC000160497604 384415770 /nfs/dbraw/zinc/41/57/70/384415770.db2.gz DZWPIEALCHFREQ-SNVBAGLBSA-N -1 3 235.331 2.119 20 70 BEIDHM CC[C@@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000159541335 171009319 /nfs/dbraw/zinc/00/93/19/171009319.db2.gz WKKRMWOJGIQYFW-SNVBAGLBSA-N -1 3 219.284 2.264 20 70 BEIDHM CC[C@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160203685 171256150 /nfs/dbraw/zinc/25/61/50/171256150.db2.gz SKKBEOLTSBOQBG-ZETCQYMHSA-N -1 3 248.286 2.358 20 70 BEIDHM CC[C@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160203685 171256151 /nfs/dbraw/zinc/25/61/51/171256151.db2.gz SKKBEOLTSBOQBG-ZETCQYMHSA-N -1 3 248.286 2.358 20 70 BEIDHM CC[C@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160203685 171256152 /nfs/dbraw/zinc/25/61/52/171256152.db2.gz SKKBEOLTSBOQBG-ZETCQYMHSA-N -1 3 248.286 2.358 20 70 BEIDHM Cc1ccc(-c2nnc(NC(=O)C3CCC3)[n-]2)o1 ZINC000160186646 178340703 /nfs/dbraw/zinc/34/07/03/178340703.db2.gz MSKAXHZJNDWNGS-UHFFFAOYSA-N -1 3 246.270 2.112 20 70 BEIDHM Cc1ccc(-c2n[n-]c(NC(=O)C3CCC3)n2)o1 ZINC000160186646 178340708 /nfs/dbraw/zinc/34/07/08/178340708.db2.gz MSKAXHZJNDWNGS-UHFFFAOYSA-N -1 3 246.270 2.112 20 70 BEIDHM Cc1ccc(-c2nc(NC(=O)C3CCC3)n[n-]2)o1 ZINC000160186646 178340712 /nfs/dbraw/zinc/34/07/12/178340712.db2.gz MSKAXHZJNDWNGS-UHFFFAOYSA-N -1 3 246.270 2.112 20 70 BEIDHM O=C(NCCC1=CCCC1)c1ccc(O)cc1[O-] ZINC000160243329 182151444 /nfs/dbraw/zinc/15/14/44/182151444.db2.gz PMPUHKVLSWABEZ-UHFFFAOYSA-N -1 3 247.294 2.328 20 70 BEIDHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCCCO1 ZINC000160008726 182349498 /nfs/dbraw/zinc/34/94/98/182349498.db2.gz AHZROLAYFXXRCA-LLVKDONJSA-N -1 3 239.246 2.039 20 70 BEIDHM CCCN(CCC)Cc1nc(CC)cc(=O)[n-]1 ZINC000160764368 169150247 /nfs/dbraw/zinc/15/02/47/169150247.db2.gz JIQZGQCURBECHM-UHFFFAOYSA-N -1 3 237.347 2.367 20 70 BEIDHM [O-]c1cc(F)cc(CNCC(F)(F)F)c1 ZINC000159583053 183258893 /nfs/dbraw/zinc/25/88/93/183258893.db2.gz FMMVRPSASVPOOQ-UHFFFAOYSA-N -1 3 223.169 2.183 20 70 BEIDHM CO[N-]C(=O)CCc1c[nH]c2c1cccc2C ZINC000159853341 384365907 /nfs/dbraw/zinc/36/59/07/384365907.db2.gz FIYNAHPZDJGMSS-UHFFFAOYSA-N -1 3 232.283 2.087 20 70 BEIDHM CO[C@@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000160615387 384421954 /nfs/dbraw/zinc/42/19/54/384421954.db2.gz VKVFQCFVPNDJMB-ZETCQYMHSA-N -1 3 220.228 2.150 20 70 BEIDHM CC(C)CO[N-]C(=O)Nc1ccsc1 ZINC000160927616 384446645 /nfs/dbraw/zinc/44/66/45/384446645.db2.gz ZXVMGNUSUHSDKH-UHFFFAOYSA-N -1 3 214.290 2.457 20 70 BEIDHM CCc1cc(=O)[n-]c(CN(C(C)C)C2CC2)n1 ZINC000160752522 384433586 /nfs/dbraw/zinc/43/35/86/384433586.db2.gz HNZIFMHNCPLANE-UHFFFAOYSA-N -1 3 235.331 2.117 20 70 BEIDHM CCc1cc(=O)[n-]c(CN2CCC[C@H](CC)C2)n1 ZINC000160819090 384437526 /nfs/dbraw/zinc/43/75/26/384437526.db2.gz FSHVVCJXNSRFMU-NSHDSACASA-N -1 3 249.358 2.367 20 70 BEIDHM CCc1cc(=O)[n-]c(CN2C[C@H](C)C[C@@H](C)C2)n1 ZINC000160478344 388070318 /nfs/dbraw/zinc/07/03/18/388070318.db2.gz FOYYILZLOSPVDQ-GHMZBOCLSA-N -1 3 249.358 2.223 20 70 BEIDHM C[C@H]1C[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC000161307616 349419430 /nfs/dbraw/zinc/41/94/30/349419430.db2.gz VZHCCDPAKBAXMI-UWVGGRQHSA-N -1 3 219.284 2.263 20 70 BEIDHM CCO[N-]C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000159592906 384341099 /nfs/dbraw/zinc/34/10/99/384341099.db2.gz XKQHLWPADYCPPO-DTWKUNHWSA-N -1 3 241.237 2.136 20 70 BEIDHM CC/C(=C/C(=O)[N-]OC)c1ccc(C)cc1 ZINC000159856978 384365175 /nfs/dbraw/zinc/36/51/75/384365175.db2.gz VVXOJSCFAZISNM-LUAWRHEFSA-N -1 3 219.284 2.466 20 70 BEIDHM CCc1cc(=O)[n-]c(CN(CC(C)C)C2CC2)n1 ZINC000160755896 384435028 /nfs/dbraw/zinc/43/50/28/384435028.db2.gz NWTZSLWTHQOMJW-UHFFFAOYSA-N -1 3 249.358 2.365 20 70 BEIDHM CCCCN(CC)Cc1nc(CC)cc(=O)[n-]1 ZINC000160765456 384435127 /nfs/dbraw/zinc/43/51/27/384435127.db2.gz NHZPWONSEYJPDP-UHFFFAOYSA-N -1 3 237.347 2.367 20 70 BEIDHM CCc1cc(=O)[n-]c(CN2CCCCCC2)n1 ZINC000160460961 388066451 /nfs/dbraw/zinc/06/64/51/388066451.db2.gz CESPSMLDZVMDRR-UHFFFAOYSA-N -1 3 235.331 2.121 20 70 BEIDHM C[C@H]1CC[C@@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000218086713 134251788 /nfs/dbraw/zinc/25/17/88/134251788.db2.gz HDONWMFSBJDDJF-DTWKUNHWSA-N -1 3 235.283 2.016 20 70 BEIDHM O=[S@](Cc1nccs1)c1ccc([O-])cc1 ZINC000160657235 323076381 /nfs/dbraw/zinc/07/63/81/323076381.db2.gz FRNOOHJULCZMDU-HNNXBMFYSA-N -1 3 239.321 2.157 20 70 BEIDHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)C[C@H](C)C2)n1 ZINC000160478233 384004779 /nfs/dbraw/zinc/00/47/79/384004779.db2.gz FOYYILZLOSPVDQ-QWRGUYRKSA-N -1 3 249.358 2.223 20 70 BEIDHM CCc1cc(=O)[n-]c(CN2CCCC[C@@H]2C)n1 ZINC000160497460 384416027 /nfs/dbraw/zinc/41/60/27/384416027.db2.gz DZWPIEALCHFREQ-JTQLQIEISA-N -1 3 235.331 2.119 20 70 BEIDHM Cc1cc(C)c2[n-]cc(C(=O)N(C)C)c(=O)c2c1 ZINC000161459125 384489885 /nfs/dbraw/zinc/48/98/85/384489885.db2.gz DUOTVXUIBJQWPM-UHFFFAOYSA-N -1 3 244.294 2.259 20 70 BEIDHM CC1(C)C[C@@H](NC(=O)c2cccc([O-])c2)CCO1 ZINC000159994417 346437284 /nfs/dbraw/zinc/43/72/84/346437284.db2.gz HZLJREIZMGEULY-NSHDSACASA-N -1 3 249.310 2.080 20 70 BEIDHM CS[C@@H](C)CNC(=O)c1cc(C)ccc1[O-] ZINC000159532862 384339180 /nfs/dbraw/zinc/33/91/80/384339180.db2.gz MMGSOOSIDCADTN-VIFPVBQESA-N -1 3 239.340 2.182 20 70 BEIDHM CS[C@@H](C)CNC(=O)c1cccc(C)c1[O-] ZINC000159530914 384339247 /nfs/dbraw/zinc/33/92/47/384339247.db2.gz DHYGUIIVGPQVFI-VIFPVBQESA-N -1 3 239.340 2.182 20 70 BEIDHM CCO[N-]C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000159592775 384342177 /nfs/dbraw/zinc/34/21/77/384342177.db2.gz XKQHLWPADYCPPO-BDAKNGLRSA-N -1 3 241.237 2.136 20 70 BEIDHM CC(C)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000161429830 387209958 /nfs/dbraw/zinc/20/99/58/387209958.db2.gz HVCCWVJFAOJMHE-UHFFFAOYSA-N -1 3 241.718 2.455 20 70 BEIDHM CC[C@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000159541465 171630374 /nfs/dbraw/zinc/63/03/74/171630374.db2.gz WKKRMWOJGIQYFW-JTQLQIEISA-N -1 3 219.284 2.264 20 70 BEIDHM COc1ccc(C(=O)N2CC=C(C)CC2)c([O-])c1 ZINC000160228467 175056180 /nfs/dbraw/zinc/05/61/80/175056180.db2.gz LQNCYOQXVCSDIQ-UHFFFAOYSA-N -1 3 247.294 2.193 20 70 BEIDHM Cc1cccc(C(=O)Nc2ncccc2[O-])c1F ZINC000159724717 323045202 /nfs/dbraw/zinc/04/52/02/323045202.db2.gz KVOVLNISPRUINP-UHFFFAOYSA-N -1 3 246.241 2.487 20 70 BEIDHM Cc1ncoc1C(=O)Nc1ccc([O-])cc1F ZINC000159477098 345436501 /nfs/dbraw/zinc/43/65/01/345436501.db2.gz KKTDZPYGHFAKRZ-UHFFFAOYSA-N -1 3 236.202 2.080 20 70 BEIDHM CCCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160433547 384412799 /nfs/dbraw/zinc/41/27/99/384412799.db2.gz DJBTVADGIQEYQZ-UHFFFAOYSA-N -1 3 234.259 2.112 20 70 BEIDHM CCCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160433547 384412806 /nfs/dbraw/zinc/41/28/06/384412806.db2.gz DJBTVADGIQEYQZ-UHFFFAOYSA-N -1 3 234.259 2.112 20 70 BEIDHM CCCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160433547 384412813 /nfs/dbraw/zinc/41/28/13/384412813.db2.gz DJBTVADGIQEYQZ-UHFFFAOYSA-N -1 3 234.259 2.112 20 70 BEIDHM CS[C@H](C)CNC(=O)c1cc(C)ccc1[O-] ZINC000159532726 175562817 /nfs/dbraw/zinc/56/28/17/175562817.db2.gz MMGSOOSIDCADTN-SECBINFHSA-N -1 3 239.340 2.182 20 70 BEIDHM