smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(=O)n([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1I ZINC000001044266 483692976 /nfs/dbraw/zinc/69/29/76/483692976.db2.gz RKSLVDIXBGWPIS-TYQACLPBSA-N -1 3 370.099 -2.247 40 0 FAABHM O=c1[n-]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1I ZINC000001044267 219357878 /nfs/dbraw/zinc/35/78/78/219357878.db2.gz RKSLVDIXBGWPIS-GCJQMDKQSA-N -1 3 370.099 -2.247 40 0 FAABHM CC1CCN(c2nc3c(nc[n-]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000001081597 219366573 /nfs/dbraw/zinc/36/65/73/219366573.db2.gz UONWPCCRGXTMPY-AYIJCJCZSA-N -1 3 365.390 -1.033 40 0 FAABHM O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)cc1I ZINC000001647308 482529439 /nfs/dbraw/zinc/52/94/39/482529439.db2.gz IPVFGAYTKQKGBM-UAKXSSHOSA-N -1 3 372.090 -1.270 40 0 in-vitro FAABHM O=c1[n-]c(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2[nH]1 ZINC000001723969 483689593 /nfs/dbraw/zinc/68/95/93/483689593.db2.gz YLAPSBFYSPSPLA-AJFJRRQVSA-N -1 3 363.124 -1.801 40 0 FAABHM O=c1[n-]c(=O)n([C@H]2C[C@@H](O)[C@H](CO)O2)cc1I ZINC000002562618 204044192 /nfs/dbraw/zinc/04/41/92/204044192.db2.gz XQFRJNBWHJMXHO-DSYKOEDSSA-N -1 3 354.100 -1.218 40 0 FAABHM CN1CCN(c2nc3c(nc[n-]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC000003898167 482798997 /nfs/dbraw/zinc/79/89/97/482798997.db2.gz ULNYWSYTZHUVLX-WQURNTSKSA-N -1 3 366.378 -2.517 40 0 FAABHM CC1CCN(c2nc3c(nc[n-]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000003984111 483519999 /nfs/dbraw/zinc/51/99/99/483519999.db2.gz UONWPCCRGXTMPY-NFOTXUCKSA-N -1 3 365.390 -1.033 40 0 FAABHM CC1CCN(c2nc3c(nc[n-]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC000003984112 483519736 /nfs/dbraw/zinc/51/97/36/483519736.db2.gz UONWPCCRGXTMPY-LIBKGXAOSA-N -1 3 365.390 -1.033 40 0 FAABHM CC1CCN(c2nc3c(nc[n-]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC000003984113 482798978 /nfs/dbraw/zinc/79/89/78/482798978.db2.gz UONWPCCRGXTMPY-XDYICZGBSA-N -1 3 365.390 -1.033 40 0 FAABHM O=c1[n-]cnc2c1nc(N1CCCCC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000004018109 482799064 /nfs/dbraw/zinc/79/90/64/482799064.db2.gz RLJFXPQTJCNTCL-CYFJXOGMSA-N -1 3 351.363 -1.279 40 0 FAABHM O=c1[n-]cnc2c1nc(N1CCCCC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000004018111 204118196 /nfs/dbraw/zinc/11/81/96/204118196.db2.gz RLJFXPQTJCNTCL-WQURNTSKSA-N -1 3 351.363 -1.279 40 0 FAABHM C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000004533885 482532779 /nfs/dbraw/zinc/53/27/79/482532779.db2.gz XXAUOPDVAKGRPR-WYCDGMCDSA-N -1 3 373.410 -2.563 40 0 FAABHM CSC[S@](=O)C[C@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O ZINC000004742519 483158209 /nfs/dbraw/zinc/15/82/09/483158209.db2.gz XKLZIVIOZDNKEQ-IREUOPFVSA-N -1 3 361.445 -1.069 40 0 in-man FAABHM O=c1[n-]c(=O)c2nc(Br)n([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2[nH]1 ZINC000004786918 207048098 /nfs/dbraw/zinc/04/80/98/207048098.db2.gz YLAPSBFYSPSPLA-VCAJRUBLSA-N -1 3 363.124 -1.801 40 0 FAABHM O=c1[n-]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1I ZINC000004897031 210079973 /nfs/dbraw/zinc/07/99/73/210079973.db2.gz RKSLVDIXBGWPIS-FJDLHZNMSA-N -1 3 370.099 -2.247 40 0 FAABHM O=c1[n-]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1I ZINC000004897032 483125602 /nfs/dbraw/zinc/12/56/02/483125602.db2.gz RKSLVDIXBGWPIS-LENIQADQSA-N -1 3 370.099 -2.247 40 0 FAABHM O=c1[n-]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1I ZINC000004897033 482532131 /nfs/dbraw/zinc/53/21/31/482532131.db2.gz RKSLVDIXBGWPIS-SKHQTKALSA-N -1 3 370.099 -2.247 40 0 FAABHM CCOC(=O)[N-]C(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O ZINC000005807943 204225927 /nfs/dbraw/zinc/22/59/27/204225927.db2.gz RXVANWAGBRZRSN-RFOGZPIASA-N -1 3 359.291 -2.966 40 0 FAABHM CCOC([O-])=NC(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O ZINC000005807943 204225923 /nfs/dbraw/zinc/22/59/23/204225923.db2.gz RXVANWAGBRZRSN-RFOGZPIASA-N -1 3 359.291 -2.966 40 0 FAABHM CCOC(=O)[N-]C(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O ZINC000005807944 482533764 /nfs/dbraw/zinc/53/37/64/482533764.db2.gz RXVANWAGBRZRSN-PRKAOEEVSA-N -1 3 359.291 -2.966 40 0 FAABHM CCOC([O-])=NC(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O ZINC000005807944 482533759 /nfs/dbraw/zinc/53/37/59/482533759.db2.gz RXVANWAGBRZRSN-PRKAOEEVSA-N -1 3 359.291 -2.966 40 0 FAABHM CCOC(=O)[N-]C(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O ZINC000005807945 204225669 /nfs/dbraw/zinc/22/56/69/204225669.db2.gz RXVANWAGBRZRSN-PJFCORBGSA-N -1 3 359.291 -2.966 40 0 FAABHM CCOC([O-])=NC(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O ZINC000005807945 204225664 /nfs/dbraw/zinc/22/56/64/204225664.db2.gz RXVANWAGBRZRSN-PJFCORBGSA-N -1 3 359.291 -2.966 40 0 FAABHM CCOC(=O)[N-]C(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O ZINC000005807946 207117267 /nfs/dbraw/zinc/11/72/67/207117267.db2.gz RXVANWAGBRZRSN-MCHASIABSA-N -1 3 359.291 -2.966 40 0 FAABHM CCOC([O-])=NC(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O ZINC000005807946 207117263 /nfs/dbraw/zinc/11/72/63/207117263.db2.gz RXVANWAGBRZRSN-MCHASIABSA-N -1 3 359.291 -2.966 40 0 FAABHM O=c1[n-]c(=O)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2F)cc1I ZINC000006091017 482536104 /nfs/dbraw/zinc/53/61/04/482536104.db2.gz IPVFGAYTKQKGBM-UNGCPHIMSA-N -1 3 372.090 -1.270 40 0 FAABHM CN1CCN(c2nc3c(nc[n-]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000009209165 207261196 /nfs/dbraw/zinc/26/11/96/207261196.db2.gz ULNYWSYTZHUVLX-AGSIJNCFSA-N -1 3 366.378 -2.517 40 0 FAABHM CN1CCN(c2nc3c(nc[n-]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000009209166 207261457 /nfs/dbraw/zinc/26/14/57/207261457.db2.gz ULNYWSYTZHUVLX-CYFJXOGMSA-N -1 3 366.378 -2.517 40 0 FAABHM CN1CCN(c2nc3c(nc[n-]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC000009209167 219876174 /nfs/dbraw/zinc/87/61/74/219876174.db2.gz ULNYWSYTZHUVLX-ZMZKGCHWSA-N -1 3 366.378 -2.517 40 0 FAABHM CSC[S@](=O)C[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O ZINC000011726799 482540930 /nfs/dbraw/zinc/54/09/30/482540930.db2.gz XKLZIVIOZDNKEQ-HJNBMHBWSA-N -1 3 361.445 -1.069 40 0 FAABHM CSC[S@](=O)C[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O ZINC000011726800 483188460 /nfs/dbraw/zinc/18/84/60/483188460.db2.gz XKLZIVIOZDNKEQ-FWCPINHQSA-N -1 3 361.445 -1.069 40 0 in-man FAABHM CN1CCN(c2nc3c(nc[n-]c3=O)n2[C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)CC1 ZINC000012661595 220017004 /nfs/dbraw/zinc/01/70/04/220017004.db2.gz ULNYWSYTZHUVLX-GEEFMHANSA-N -1 3 366.378 -2.517 40 0 FAABHM O=c1[n-]c(=O)n([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1I ZINC000012959021 482542783 /nfs/dbraw/zinc/54/27/83/482542783.db2.gz RKSLVDIXBGWPIS-NRFSWKIWSA-N -1 3 370.099 -2.247 40 0 FAABHM COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1[O-] ZINC000013540671 483144175 /nfs/dbraw/zinc/14/41/75/483144175.db2.gz CIYLTHWUJCCASO-APACUCGBSA-N -1 3 360.315 -1.634 40 0 FAABHM O=c1[n-]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1I ZINC000013547843 482542504 /nfs/dbraw/zinc/54/25/04/482542504.db2.gz XQFRJNBWHJMXHO-FSDSQADBSA-N -1 3 354.100 -1.218 40 0 in-vitro FAABHM Cn1nnnc1[N-]C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000014943717 482586444 /nfs/dbraw/zinc/58/64/44/482586444.db2.gz ZESFKLNBURHOJL-UHFFFAOYSA-N -1 3 365.379 -1.775 40 0 FAABHM C[C@@H](N)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC000015721475 211138080 /nfs/dbraw/zinc/13/80/80/211138080.db2.gz XXAUOPDVAKGRPR-VVULQXIFSA-N -1 3 373.410 -2.563 40 0 FAABHM O=c1[n-]c(=O)n([C@H]2C[C@H](O)[C@H](CO)O2)cc1I ZINC000017779640 211186655 /nfs/dbraw/zinc/18/66/55/211186655.db2.gz XQFRJNBWHJMXHO-LYFYHCNISA-N -1 3 354.100 -1.218 40 0 in-man FAABHM C[C@@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC000025628216 482901592 /nfs/dbraw/zinc/90/15/92/482901592.db2.gz XXAUOPDVAKGRPR-SOYHJAILSA-N -1 3 373.410 -2.563 40 0 FAABHM C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)[O-] ZINC000025628224 263388956 /nfs/dbraw/zinc/38/89/56/263388956.db2.gz XXAUOPDVAKGRPR-RXKWGBCNSA-N -1 3 373.410 -2.563 40 0 FAABHM C[C@@H](N)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC000025628231 482901848 /nfs/dbraw/zinc/90/18/48/482901848.db2.gz XXAUOPDVAKGRPR-HOTMZDKISA-N -1 3 373.410 -2.563 40 0 FAABHM C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)N)C(=O)[O-] ZINC000025628240 263388968 /nfs/dbraw/zinc/38/89/68/263388968.db2.gz XXAUOPDVAKGRPR-SQXHDICFSA-N -1 3 373.410 -2.563 40 0 FAABHM CSC[S@](=O)C[C@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O ZINC000032011145 482557318 /nfs/dbraw/zinc/55/73/18/482557318.db2.gz XKLZIVIOZDNKEQ-LKOCBKRESA-N -1 3 361.445 -1.069 40 0 FAABHM C[C@@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC000039945456 482550407 /nfs/dbraw/zinc/55/04/07/482550407.db2.gz XXAUOPDVAKGRPR-JDDHQFAOSA-N -1 3 373.410 -2.563 40 0 FAABHM C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)[O-] ZINC000100655939 482730884 /nfs/dbraw/zinc/73/08/84/482730884.db2.gz XXAUOPDVAKGRPR-SRQGCSHVSA-N -1 3 373.410 -2.563 40 0 FAABHM O=C(CN1CC(=O)[N-]C1=O)N1CCC([C@@H]2NC(=O)N[C@H]3OCC[C@H]32)CC1 ZINC000257228901 534515556 /nfs/dbraw/zinc/51/55/56/534515556.db2.gz FVTYYGUGXLDDIN-BPNCWPANSA-N -1 3 365.390 -1.179 40 0 FAABHM C[C@@]1(O)CN(C(=O)[C@@H](N)CC(=O)[O-])CC[C@H]1n1cnc2c1ncnc2N ZINC000257294577 223053813 /nfs/dbraw/zinc/05/38/13/223053813.db2.gz QUTAZQVDAXITOR-IQMYEBEASA-N -1 3 363.378 -1.265 40 0 FAABHM C[C@@]1(O)CCN(C(=O)[C@@H](N)CCC(=O)[O-])C[C@H]1n1ccc(=O)[nH]c1=O ZINC000257322400 223066019 /nfs/dbraw/zinc/06/60/19/223066019.db2.gz WFVBNEYLGAFHGQ-FEUHOPSXSA-N -1 3 354.363 -1.335 40 0 FAABHM CCCS(=O)(=O)[N-][C@H]1CO[C@@H](CN2CCCN(C(C)=O)CC2)[C@@H]1O ZINC000514289574 482677276 /nfs/dbraw/zinc/67/72/76/482677276.db2.gz VMTSAWQJHWGWHT-SOUVJXGZSA-N -1 3 363.480 -1.002 40 0 biogenic,in-vitro FAABHM