smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC[C@H](C)C(=O)[O-] ZINC000002510020 368837492 /nfs/dbraw/zinc/83/74/92/368837492.db2.gz ONEKODVPFBOORO-LBPRGKRZSA-N -1 0 214.349 4.238 10 30 BIEERM C=C[C@@](C)(CCC=C(C)C)[C@@H](CC)C(=O)[O-] ZINC000034407111 187287157 /nfs/dbraw/zinc/28/71/57/187287157.db2.gz JGIKQQDUYAXIBR-JSGCOSHPSA-N -1 0 224.344 4.036 10 30 BIEERM C=C[C@@](C)(CCC=C(C)C)[C@H](CC)C(=O)[O-] ZINC000034407112 187626294 /nfs/dbraw/zinc/62/62/94/187626294.db2.gz JGIKQQDUYAXIBR-OCCSQVGLSA-N -1 0 224.344 4.036 10 30 BIEERM CCCCCCCCNc1ccc(C(=O)[O-])cc1 ZINC000043705869 520037627 /nfs/dbraw/zinc/03/76/27/520037627.db2.gz UOPFJBGJNMUVAW-UHFFFAOYSA-N -1 0 249.354 4.157 10 30 BIEERM C=CCc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000052064455 353180740 /nfs/dbraw/zinc/18/07/40/353180740.db2.gz WQHUNZMHMLBTAS-UHFFFAOYSA-N -1 0 237.513 4.081 10 30 BIEERM CCCCCCCCCC[C@@H](C)C(=O)[O-] ZINC000086050520 388588407 /nfs/dbraw/zinc/58/84/07/388588407.db2.gz ONEKODVPFBOORO-GFCCVEGCSA-N -1 0 214.349 4.238 10 30 BIEERM CCCCCCCC(=O)C=C([O-])c1ccccc1 ZINC000100022082 519960460 /nfs/dbraw/zinc/96/04/60/519960460.db2.gz IFQULAPKPYIHBS-UHFFFAOYSA-N -1 0 246.350 4.189 10 30 BIEERM CCCCCCCCc1ccc(CC(=O)[O-])cc1 ZINC000100037394 187629418 /nfs/dbraw/zinc/62/94/18/187629418.db2.gz RLSOOAYGFMAZRR-UHFFFAOYSA-N -1 0 248.366 4.217 10 30 BIEERM C=C(CCCCCCCCCC)C(=O)[O-] ZINC000100038520 357923022 /nfs/dbraw/zinc/92/30/22/357923022.db2.gz YWZKHUXXEKYLCD-UHFFFAOYSA-N -1 0 212.333 4.158 10 30 BIEERM CCCCCCCCC/C=C(\C)C(=O)[O-] ZINC000100053890 187300342 /nfs/dbraw/zinc/30/03/42/187300342.db2.gz JVAKNQLSBYBCSZ-VAWYXSNFSA-N -1 0 212.333 4.158 10 30 BIEERM CCCCCCCCC1(C(=O)[O-])CCCC1 ZINC000100248479 187290644 /nfs/dbraw/zinc/29/06/44/187290644.db2.gz LYMUUCDOOMKJCB-UHFFFAOYSA-N -1 0 226.360 4.382 10 30 BIEERM CCCCCCCC[C@@]1(C)SC(=O)C=C1[O-] ZINC000100299132 384631356 /nfs/dbraw/zinc/63/13/56/384631356.db2.gz PIRZFZMRZHTILE-CYBMUJFWSA-N -1 0 242.384 4.211 10 30 BIEERM CCCCCCCC[C@]1(C)SC(=O)C=C1[O-] ZINC000100299134 384631709 /nfs/dbraw/zinc/63/17/09/384631709.db2.gz PIRZFZMRZHTILE-ZDUSSCGKSA-N -1 0 242.384 4.211 10 30 BIEERM C=C[C@H](CCCCCCCC)CC(=O)[O-] ZINC000103822861 187302457 /nfs/dbraw/zinc/30/24/57/187302457.db2.gz RPQNYZCHGPXMJH-GFCCVEGCSA-N -1 0 212.333 4.014 10 30 BIEERM CCCCCCCC/C=C/CCC(=O)[O-] ZINC000106401475 369115738 /nfs/dbraw/zinc/11/57/38/369115738.db2.gz HVTVUFYALPFJMH-MDZDMXLPSA-N -1 0 212.333 4.158 10 30 BIEERM C=C(CC)c1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC000584623262 398079014 /nfs/dbraw/zinc/07/90/14/398079014.db2.gz KAVWRPVGDHNYGS-UHFFFAOYSA-N -1 0 245.105 4.115 10 30 BIEERM C=CC1(CC(=O)[O-])CCC(C(C)(C)CC)CC1 ZINC000675053534 537881730 /nfs/dbraw/zinc/88/17/30/537881730.db2.gz ODOZPCXFTNOMDV-UHFFFAOYSA-N -1 0 238.371 4.260 10 30 BIEERM CCCCCCCCc1ccsc1C(=O)[O-] ZINC000675057901 538481029 /nfs/dbraw/zinc/48/10/29/538481029.db2.gz NLWOTCRFUNKBJD-UHFFFAOYSA-N -1 0 240.368 4.349 10 30 BIEERM C=C(F)C1(CC(=O)[O-])CCC(C(C)(C)C)CC1 ZINC000725259684 582803169 /nfs/dbraw/zinc/80/31/69/582803169.db2.gz GZOHUQVQPTUWQY-UHFFFAOYSA-N -1 0 242.334 4.167 10 30 BIEERM C=C(F)C1(CC(=O)[O-])CC(C)(C)CC(C)(C)C1 ZINC000725260507 538082406 /nfs/dbraw/zinc/08/24/06/538082406.db2.gz VGHLSYBRFNLSKZ-UHFFFAOYSA-N -1 0 242.334 4.167 10 30 BIEERM