smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCN(C)[C@@H](C)C2)cc1F	ZINC000216663396	568466194	/nfs/dbraw/zinc/46/61/94/568466194.db2.gz	RBEQYYQQGJVPBQ-SFHVURJKSA-N	0	3	408.521	4.131	50	70		HIIAHN
O=C(c1ccc(F)cc1Cl)N1CCC(N2CCC(Oc3nccs3)CC2)CC1	ZINC000217592254	568896250	/nfs/dbraw/zinc/89/62/50/568896250.db2.gz	XAVBTSFOEAWWCL-UHFFFAOYSA-N	0	3	423.941	4.084	50	70		HIIAHN
O=C(c1cccc2ccccc21)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1	ZINC000217435880	568880123	/nfs/dbraw/zinc/88/01/23/568880123.db2.gz	DZQPTQGGGBCTBN-UHFFFAOYSA-N	0	3	415.537	4.383	50	70		HIIAHN
O=c1occ(C[NH+]2CCCCCC2)c([O-])c1CN1CC=C(c2ccc(F)cc2)CC1	ZINC000218165974	568475979	/nfs/dbraw/zinc/47/59/79/568475979.db2.gz	JELUNNKRVACGQX-UHFFFAOYSA-N	0	3	412.505	4.150	50	70		HIIAHN
O=C(c1cccc2ccccc21)N1CCC(N2CCC(Oc3nccs3)CC2)CC1	ZINC000217487671	568884439	/nfs/dbraw/zinc/88/44/39/568884439.db2.gz	HXXFLCIMVPVWPV-UHFFFAOYSA-N	0	3	421.566	4.444	50	70		HIIAHN
CC(C)c1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)n(-c2ccccc2)n1	ZINC000218204690	568476428	/nfs/dbraw/zinc/47/64/28/568476428.db2.gz	IBABAZKSIFXLAU-UHFFFAOYSA-N	0	3	402.542	4.390	50	70		HIIAHN