smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncn(CCC(=O)c2ccc(C)cc2)c1C ZINC000159664280 187301625 /nfs/dbraw/zinc/30/16/25/187301625.db2.gz OPPNPALRYIMTNR-UHFFFAOYSA-N 0 0 242.322 3.081 50 70 BGIARN C[Si](C)(C)[SiH]([Si](C)(C)C)[Si](C)(C)C ZINC000169743137 582962256 /nfs/dbraw/zinc/96/22/56/582962256.db2.gz SQMFULTZZQBFBM-UHFFFAOYSA-N 0 0 248.667 3.463 50 70 BGIARN C[SiH](C)c1c(Cl)cc(Cl)cc1Cl ZINC000169816934 583852874 /nfs/dbraw/zinc/85/28/74/583852874.db2.gz PFZKBVDHIVBUOE-UHFFFAOYSA-N 0 0 239.605 3.341 50 70 BGIARN C[SiH](C)c1c(Cl)ccc(Cl)c1Cl ZINC000169816936 177497973 /nfs/dbraw/zinc/49/79/73/177497973.db2.gz QSHPBRQXSBFNAM-UHFFFAOYSA-N 0 0 239.605 3.341 50 70 BGIARN C[SiH](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000169817049 518185620 /nfs/dbraw/zinc/18/56/20/518185620.db2.gz KXTNUYOEGFXNAF-UHFFFAOYSA-N 0 0 246.813 3.186 50 70 BGIARN c1ccc(CCC[SiH2]Cc2ccccc2)cc1 ZINC000169818240 183391422 /nfs/dbraw/zinc/39/14/22/183391422.db2.gz MNCNDHROMQQLGB-UHFFFAOYSA-N 0 0 240.422 3.407 50 70 BGIARN CC(C)(C)OC(=O)n1ccc(-c2ccccc2)n1 ZINC000216702105 166674864 /nfs/dbraw/zinc/67/48/64/166674864.db2.gz GDEQKBQAXPSVOR-UHFFFAOYSA-N 0 0 244.294 3.333 50 70 BGIARN C/C=C/C(=O)N1CCCC[C@H](c2ccccc2)C1 ZINC000217287322 345759407 /nfs/dbraw/zinc/75/94/07/345759407.db2.gz CJJUTUGXZBFPBI-FTPZRKARSA-N 0 0 243.350 3.359 50 70 BGIARN C/C=C/C(=O)N1CCCC[C@@H](c2ccccc2)C1 ZINC000217287323 345759967 /nfs/dbraw/zinc/75/99/67/345759967.db2.gz CJJUTUGXZBFPBI-GBVWOXPPSA-N 0 0 243.350 3.359 50 70 BGIARN CCOC(=O)N1CCCC[C@H](c2ccccc2)C1 ZINC000217287689 170239076 /nfs/dbraw/zinc/23/90/76/170239076.db2.gz PDLPCCHOPWNZHO-AWEZNQCLSA-N 0 0 247.338 3.413 50 70 BGIARN CCOC(=O)N1CCCC[C@@H](c2ccccc2)C1 ZINC000217287690 170239361 /nfs/dbraw/zinc/23/93/61/170239361.db2.gz PDLPCCHOPWNZHO-CQSZACIVSA-N 0 0 247.338 3.413 50 70 BGIARN