smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1-c1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1	ZINC000218411929	241319093	/nfs/dbraw/zinc/31/90/93/241319093.db2.gz	IXEIJUUOOKRVII-SFHVURJKSA-N	0	3	338.451	3.528	50	70		EHIAHN
Cn1cc(CN2CCN(C)[C@@H](c3ccccc3)C2)c(-c2ccccc2)n1	ZINC000217153320	241237491	/nfs/dbraw/zinc/23/74/91/241237491.db2.gz	XUJYHUKVWYMCSQ-OAQYLSRUSA-N	0	3	346.478	3.576	50	70		EHIAHN
O=C(c1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1CN1CCCC1	ZINC000218168300	241301156	/nfs/dbraw/zinc/30/11/56/241301156.db2.gz	SMCMPZWDDWCQAZ-MRXNPFEDSA-N	0	3	340.389	3.796	50	70		EHIAHN
O=C(NCc1ccc(-c2ccccc2)o1)C1(N2CCCC2)CCCC1	ZINC000216982009	241230094	/nfs/dbraw/zinc/23/00/94/241230094.db2.gz	JMLMDXBRPQMJQO-UHFFFAOYSA-N	0	3	338.451	3.971	50	70		EHIAHN
CC(C)c1cc(C(=O)N2C[C@H]3[C@H](C[NH+](C)C)[C@H]3C2)c([O-])c(C(C)C)c1	ZINC000217912044	535358890	/nfs/dbraw/zinc/35/88/90/535358890.db2.gz	JBGPWDNMBWDJHB-LDLYASANSA-N	0	3	344.499	3.519	50	70		EHIAHN
O=C(c1cccc(C(F)(F)F)c1)N1CCCC[C@H]1CN1CCCC1	ZINC000218168385	241301008	/nfs/dbraw/zinc/30/10/08/241301008.db2.gz	SMCMPZWDDWCQAZ-INIZCTEOSA-N	0	3	340.389	3.796	50	70		EHIAHN
CN(Cc1cccnc1)C(=O)c1cccc(CN2CCCCCC2)c1	ZINC000217181949	241238604	/nfs/dbraw/zinc/23/86/04/241238604.db2.gz	RLCPIMBUHRDVJQ-UHFFFAOYSA-N	0	3	337.467	3.730	50	70		EHIAHN
COc1ccccc1-c1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1	ZINC000218411863	241319759	/nfs/dbraw/zinc/31/97/59/241319759.db2.gz	IXEIJUUOOKRVII-GOSISDBHSA-N	0	3	338.451	3.528	50	70		EHIAHN
CN1CCCC[C@@H]1CNC(=O)CCCc1ccc(C(C)(C)C)cc1	ZINC000217192787	241242290	/nfs/dbraw/zinc/24/22/90/241242290.db2.gz	GHVRCNNVCIWEFO-LJQANCHMSA-N	0	3	330.516	3.907	50	70		EHIAHN
CN1CCCC[C@H]1CNC(=O)CCCc1ccc(C(C)(C)C)cc1	ZINC000217192793	536359732	/nfs/dbraw/zinc/35/97/32/536359732.db2.gz	GHVRCNNVCIWEFO-IBGZPJMESA-N	0	3	330.516	3.907	50	70		EHIAHN
CSCc1ccc(C(=O)N2CCCN(C3CCCCC3)CC2)o1	ZINC000218591484	241332317	/nfs/dbraw/zinc/33/23/17/241332317.db2.gz	ZPAKRZBZIOAUFV-UHFFFAOYSA-N	0	3	336.501	3.623	50	70		EHIAHN