smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)C/N=C1\C=C(C)CC(C)(C)C1	ZINC000017301434	166115393	/nfs/dbraw/zinc/11/53/93/166115393.db2.gz	KKLFYWHOIJFBET-WYMLVPIESA-N	0	3	191.318	3.770	40	30		AHEBHN
CC(C)=C/C(C)=N/c1ccccc1	ZINC000017301438	171032277	/nfs/dbraw/zinc/03/22/77/171032277.db2.gz	HDYUYNXWWPTVRA-ACCUITESSA-N	0	3	173.259	3.745	40	30		AHEBHN
CCCC/N=C/c1ccc(Cl)cc1	ZINC000017862355	343047226	/nfs/dbraw/zinc/04/72/26/343047226.db2.gz	JVERISAPUYDMBP-UKTHLTGXSA-N	0	3	195.693	3.559	40	30		AHEBHN
CCCC/N=C\c1ccc(Cl)cc1	ZINC000104153285	343729340	/nfs/dbraw/zinc/72/93/40/343729340.db2.gz	JVERISAPUYDMBP-LCYFTJDESA-N	0	3	195.693	3.559	40	30		AHEBHN
C=C(C)C/N=C1/C=C(C)CC(C)(C)C1	ZINC000104359699	166115559	/nfs/dbraw/zinc/11/55/59/166115559.db2.gz	KKLFYWHOIJFBET-OWBHPGMISA-N	0	3	191.318	3.770	40	30		AHEBHN
CC(C)=C/C(C)=N\c1ccccc1	ZINC000104359711	343731157	/nfs/dbraw/zinc/73/11/57/343731157.db2.gz	HDYUYNXWWPTVRA-QBFSEMIESA-N	0	3	173.259	3.745	40	30		AHEBHN
CCCCCCC[C@H](N)c1ccco1	ZINC000105727248	343737150	/nfs/dbraw/zinc/73/71/50/343737150.db2.gz	GDTWUWOSGLBRHW-NSHDSACASA-N	0	3	195.306	3.640	40	30		AHEBHN
CCCCCCC[C@@H](N)c1ccco1	ZINC000105727252	343737275	/nfs/dbraw/zinc/73/72/75/343737275.db2.gz	GDTWUWOSGLBRHW-LLVKDONJSA-N	0	3	195.306	3.640	40	30		AHEBHN