smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Fc1ccccc1N1CCN(C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1	ZINC000217003909	358973322	/nfs/dbraw/zinc/97/33/22/358973322.db2.gz	GYUCFPDYEHOIKS-WDNDVIMCSA-N	1	3	275.371	1.413	50	70		CDIAHO
C[C@H](C1CCN(C(=O)Cc2c[nH]cn2)CC1)[NH+]1CCCC1	ZINC000217030797	358975493	/nfs/dbraw/zinc/97/54/93/358975493.db2.gz	SBYAGDYIXQFSBN-CYBMUJFWSA-N	1	3	290.411	1.675	50	70		CDIAHO
c1csc(CN2CCN(C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)c1	ZINC000217154203	358982361	/nfs/dbraw/zinc/98/23/61/358982361.db2.gz	BTSCNPLILYNLCJ-FICVDOATSA-N	1	3	277.437	1.331	50	70		CDIAHO
Cc1cc(N2CCN(C(=O)CN3CCCC3)CC2)cc[nH+]1	ZINC000218561400	359058391	/nfs/dbraw/zinc/05/83/91/359058391.db2.gz	DLVZATXFNGVXAJ-UHFFFAOYSA-N	1	3	288.395	1.134	50	70		CDIAHO
CC(=O)c1ccc(N2CCN(C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc1	ZINC000217639163	359016197	/nfs/dbraw/zinc/01/61/97/359016197.db2.gz	KNFVRBYULROTMH-PIIMJCKOSA-N	1	3	299.418	1.477	50	70		CDIAHO
C[C@@H](C1CCN(C(=O)Cc2c[nH]cn2)CC1)[NH+]1CCCC1	ZINC000217030761	189707900	/nfs/dbraw/zinc/70/79/00/189707900.db2.gz	SBYAGDYIXQFSBN-ZDUSSCGKSA-N	1	3	290.411	1.675	50	70		CDIAHO
O[C@@H]1COCC[C@H]1NC1CC[NH+](C2CCCC2)CC1	ZINC000218118920	359041794	/nfs/dbraw/zinc/04/17/94/359041794.db2.gz	QNALVYRXWXXZLJ-HUUCEWRRSA-N	1	3	268.401	1.133	50	70		CDIAHO
C(=C/c1ccccc1)\CN1CCN(C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1	ZINC000217660452	359017028	/nfs/dbraw/zinc/01/70/28/359017028.db2.gz	DZUXYNOVDFDWEZ-VQZOXDOBSA-N	1	3	297.446	1.783	50	70		CDIAHO
CCc1ccccc1N1CCN(C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1	ZINC000217469937	359004046	/nfs/dbraw/zinc/00/40/46/359004046.db2.gz	AFIFRQNVSOHLHX-FVQHAEBGSA-N	1	3	285.435	1.836	50	70		CDIAHO