smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1nc(Nc2cc(Cl)cc(Cl)c2)cc(N2CC[NH+](C)CC2)n1 ZINC000216851639 136203097 /nfs/dbraw/zinc/20/30/97/136203097.db2.gz QDGVCVUJCPYBFM-UHFFFAOYSA-N 1 1 384.336 4.001 40 70 GIIBMO Cc1nc(Nc2ccccc2Oc2ccccc2)cc(N2CC[NH+](C)CC2)n1 ZINC000216850435 136203166 /nfs/dbraw/zinc/20/31/66/136203166.db2.gz OVLSXDJCCHOVOW-UHFFFAOYSA-N 1 1 375.476 4.073 40 70 GIIBMO CSc1nc(Nc2cccc(Cl)c2Cl)cc(N2CC[NH+](C)CC2)n1 ZINC000216851515 136203093 /nfs/dbraw/zinc/20/30/93/136203093.db2.gz YVBLDQGMBORIMK-UHFFFAOYSA-N 1 1 384.336 4.001 40 70 GIIBMO CSc1nc(Nc2ccc(Cl)cc2Cl)cc(N2CC[NH+](C)CC2)n1 ZINC000216851560 136203121 /nfs/dbraw/zinc/20/31/21/136203121.db2.gz BIWQBMCGTUVLNE-UHFFFAOYSA-N 1 1 384.336 4.001 40 70 GIIBMO CSc1nc(Nc2ccc(Cl)c(Cl)c2)cc(N2CC[NH+](C)CC2)n1 ZINC000216851601 136203103 /nfs/dbraw/zinc/20/31/03/136203103.db2.gz FLJODOMNGWVRNW-UHFFFAOYSA-N 1 1 384.336 4.001 40 70 GIIBMO Cc1nc(Nc2ccc(Oc3ccccc3)cc2)cc(N2CC[NH+](C)CC2)n1 ZINC000216849858 136203210 /nfs/dbraw/zinc/20/32/10/136203210.db2.gz BHPUQLKPBCZQCQ-UHFFFAOYSA-N 1 1 375.476 4.073 40 70 GIIBMO