smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCSc1ccccc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	ZINC000217036782	521773068	/nfs/dbraw/zinc/77/30/68/521773068.db2.gz	PPZCFJJATUXZCO-UHFFFAOYSA-N	0	3	370.518	4.524	40	70		FJIBHN
CN1CCC(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)CC1	ZINC000216922602	523750084	/nfs/dbraw/zinc/75/00/84/523750084.db2.gz	ARUSKAKNQZAKIW-UHFFFAOYSA-N	0	3	374.937	4.913	40	70		FJIBHN
CN1CCC(CC(=O)Nc2ccc(CSc3ccccc3)cc2)CC1	ZINC000216893527	523754765	/nfs/dbraw/zinc/75/47/65/523754765.db2.gz	JPPSWWOPBAXPBB-UHFFFAOYSA-N	0	3	354.519	4.649	40	70		FJIBHN
CN1CCC[C@H](C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)C1	ZINC000216913869	523836533	/nfs/dbraw/zinc/83/65/33/523836533.db2.gz	HCDXQSSXIYNOKL-INIZCTEOSA-N	0	3	374.937	4.913	40	70		FJIBHN
CN1CCC(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1	ZINC000216895589	523756427	/nfs/dbraw/zinc/75/64/27/523756427.db2.gz	YJTKPVSHFQVTDM-UHFFFAOYSA-N	0	3	358.869	4.803	40	70		FJIBHN
CN1CCC[C@@H](C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)C1	ZINC000216913842	523812358	/nfs/dbraw/zinc/81/23/58/523812358.db2.gz	HCDXQSSXIYNOKL-MRXNPFEDSA-N	0	3	374.937	4.913	40	70		FJIBHN
Cc1cc(CSc2ccccc2)ccc1NC(=O)CC1CCN(C)CC1	ZINC000216893585	524817159	/nfs/dbraw/zinc/81/71/59/524817159.db2.gz	VCEDKXBUGFSCLL-UHFFFAOYSA-N	0	3	368.546	4.958	40	70		FJIBHN
Cc1cc(CSc2ccccc2)ccc1NC(=O)C1CCN(C)CC1	ZINC000216919976	568154291	/nfs/dbraw/zinc/15/42/91/568154291.db2.gz	XDTJFNLRLYVBHF-UHFFFAOYSA-N	0	3	354.519	4.568	40	70		FJIBHN
CN1CCC(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1	ZINC000216897927	568151841	/nfs/dbraw/zinc/15/18/41/568151841.db2.gz	HHPRFATXQIJWLO-UHFFFAOYSA-N	0	3	366.549	4.825	40	70		FJIBHN