smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]C1CC(c2cc(NCCN3CCCCC3)nc(C3CC3)n2)C1	ZINC000218407307	402295894	/nfs/dbraw/zinc/29/58/94/402295894.db2.gz	UXKMHLGVNWYLQO-UHFFFAOYSA-N	1	3	315.465	2.457	50	70		DEIAHO
Cc1nn(-c2ccccc2)cc1CN1C[C@H]2[C@H](C[NH+](C)C)[C@H]2C1	ZINC000217420067	402292573	/nfs/dbraw/zinc/29/25/73/402292573.db2.gz	CKDGHKCIYZFARL-LDLYASANSA-N	1	3	310.445	2.420	50	70		DEIAHO
Cc1cccc(-n2cc(CN3C[C@H]4[C@H](C[NH+](C)C)[C@H]4C3)cn2)c1	ZINC000217867138	539727168	/nfs/dbraw/zinc/72/71/68/539727168.db2.gz	OMXISAPJUISICC-LDLYASANSA-N	1	3	310.445	2.420	50	70		DEIAHO
C[NH+](C)CCCOc1cccc(CN2C[C@H]3CC[C@@H](C2)[C@H]3O)c1	ZINC000217008183	402290892	/nfs/dbraw/zinc/29/08/92/402290892.db2.gz	WVYQPWUZCHQWLE-DZFIZOCASA-N	1	3	318.461	2.220	50	70		DEIAHO
O[C@@H]1CN(c2ccncc2)CC[N@H+](Cc2cccc3cc[nH]c32)C1	ZINC000217020482	402290837	/nfs/dbraw/zinc/29/08/37/402290837.db2.gz	BOSMAYUGTJVNIN-SFHVURJKSA-N	1	3	322.412	2.246	50	70		DEIAHO
O[C@@H]1CN(c2ccncc2)CC[N@@H+](Cc2cccc3cc[nH]c32)C1	ZINC000217020482	402290840	/nfs/dbraw/zinc/29/08/40/402290840.db2.gz	BOSMAYUGTJVNIN-SFHVURJKSA-N	1	3	322.412	2.246	50	70		DEIAHO