smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccc2ccccc2c1C=NN=c1nc(N2CCOCC2)[nH]c(N2CCOCC2)n1	ZINC000059502963	526355050	/nfs/dbraw/zinc/35/50/50/526355050.db2.gz	AMIUSBMWGRYUEF-HAHDFKILSA-N	0	1	435.488	1.850	10	30		IDEEMN
C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1cccn1-c1ncccn1)CC2	ZINC000072144323	518998715	/nfs/dbraw/zinc/99/87/15/518998715.db2.gz	NVGRQACRUMGECU-SFHVURJKSA-N	0	1	425.489	1.741	10	30		IDEEMN
COc1ccccc1C(=O)NC(=O)COC(=O)CO/N=C(/C)c1ccc2c(c1)OCO2	ZINC000059475815	524346020	/nfs/dbraw/zinc/34/60/20/524346020.db2.gz	JLECDMSBDKEEBX-QRVIBDJDSA-N	0	1	428.397	1.664	10	30		IDEEMN
C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1cccn1-c1ncccn1)CC2	ZINC000072144324	518997687	/nfs/dbraw/zinc/99/76/87/518997687.db2.gz	NVGRQACRUMGECU-GOSISDBHSA-N	0	1	425.489	1.741	10	30		IDEEMN
C#CCOC[C@H](O)CN(CCN1CCOCC1)Cc1cccn1Cc1cccc(OC)c1	ZINC000035840861	518307556	/nfs/dbraw/zinc/30/75/56/518307556.db2.gz	HQONHYFSBUFMDO-XMMPIXPASA-N	0	1	441.572	1.690	10	30		IDEEMN
CC(=O)Nc1c(O)nc(SCC(=O)Nc2sc3c(c2C#N)CCCCCC3)[nH]c1=O	ZINC000003659172	562937515	/nfs/dbraw/zinc/93/75/15/562937515.db2.gz	GEMYSNLUBNJLMH-UHFFFAOYSA-N	0	1	447.542	1.468	10	30		IDEEMN
C#CCOC[C@@H](O)CN(CCN1CCOCC1)Cc1cccn1Cc1cccc(OC)c1	ZINC000035840859	518301187	/nfs/dbraw/zinc/30/11/87/518301187.db2.gz	HQONHYFSBUFMDO-DEOSSOPVSA-N	0	1	441.572	1.690	10	30		IDEEMN