smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCC1(c2ccsc2)CCCC1)Nc1ccccc1F ZINC000217486331 563943787 /nfs/dbraw/zinc/94/37/87/563943787.db2.gz VYVXNRDTUJXGCB-UHFFFAOYSA-N 0 0 318.417 4.521 50 70 DJIARN O=C(NCC1(c2ccsc2)CCCC1)c1ccccc1Cl ZINC000217480426 201517672 /nfs/dbraw/zinc/51/76/72/201517672.db2.gz HYCVDUMBXSOBJW-UHFFFAOYSA-N 0 0 319.857 4.643 50 70 DJIARN Cc1ccccc1NC(=O)NCC1(c2ccsc2)CCCC1 ZINC000217486229 563943768 /nfs/dbraw/zinc/94/37/68/563943768.db2.gz SJAMLYUYFCNUDU-UHFFFAOYSA-N 0 0 314.454 4.690 50 70 DJIARN Cc1ccccc1NC(=O)N1CCCC[C@H](c2ccccc2)C1 ZINC000217288228 563614580 /nfs/dbraw/zinc/61/45/80/563614580.db2.gz PZRDFAAZOGIZLQ-SFHVURJKSA-N 0 0 308.425 4.797 50 70 DJIARN C[SiH](C)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000169818940 563849572 /nfs/dbraw/zinc/84/95/72/563849572.db2.gz TVIAPTFGBSUUIU-UHFFFAOYSA-N 0 0 308.495 4.647 50 70 DJIARN O=C(c1c[nH]c2ccccc12)N1CCCC[C@@H](c2ccccc2)C1 ZINC000217287789 563943348 /nfs/dbraw/zinc/94/33/48/563943348.db2.gz XZWVFRRRPOSQAQ-QGZVFWFLSA-N 0 0 318.420 4.578 50 70 DJIARN CCN(C(=O)c1cncc(-c2ccccc2)c1)c1ccc(F)cc1 ZINC000160064558 197383598 /nfs/dbraw/zinc/38/35/98/197383598.db2.gz AFANFZLEVJBZDT-UHFFFAOYSA-N 0 0 320.367 4.554 50 70 DJIARN O=C(c1c[nH]c2ccccc12)N1CCCC[C@H](c2ccccc2)C1 ZINC000217287791 563943338 /nfs/dbraw/zinc/94/33/38/563943338.db2.gz XZWVFRRRPOSQAQ-KRWDZBQOSA-N 0 0 318.420 4.578 50 70 DJIARN Cc1ccccc1NC(=O)N1CCCC[C@@H](c2ccccc2)C1 ZINC000217288230 563614280 /nfs/dbraw/zinc/61/42/80/563614280.db2.gz PZRDFAAZOGIZLQ-GOSISDBHSA-N 0 0 308.425 4.797 50 70 DJIARN