smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCn1nc2c3c1ccc(NCC[NH2+]CCO)c3sc1ccccc21	ZINC000029330647	207987628	/nfs/dbraw/zinc/98/76/28/207987628.db2.gz	ORKKZPRMXREWMS-UHFFFAOYSA-N	2	0	369.494	2.357	1	5		FEBFRP
C(CCCN1CC[N+]2(CCCC2)CC1)CCN1CC[N+]2(CCCC2)CC1	ZINC000084462632	717135795	/nfs/dbraw/zinc/13/57/95/717135795.db2.gz	NHAHJFAFOKOHJH-UHFFFAOYSA-N	2	0	364.622	2.399	1	5		FEBFRP
NC(=[NH2+])c1ccc(-c2cc(-c3ccc(C(N)=[NH2+])cc3[N+](=O)[O-])on2)cc1	ZINC000028644389	211495873	/nfs/dbraw/zinc/49/58/73/211495873.db2.gz	IAYRSPRFWHSIMM-UHFFFAOYSA-N	2	0	350.338	2.485	1	5		FEBFRP
COc1ccc2c(c1)c1c3c4c(ccc3N(CC[NH+](C)C)CC[NH+]=1)ncn42	ZINC000031852774	220647774	/nfs/dbraw/zinc/64/77/74/220647774.db2.gz	WXOLZCJGPDYUAH-UHFFFAOYSA-N	2	0	361.449	2.369	1	5		FEBFRP
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCC[N+](C)(C)C)C2	ZINC000014947223	717111205	/nfs/dbraw/zinc/11/12/05/717111205.db2.gz	IJYAXGWEXZSXQH-JLMWRMLUSA-N	2	0	373.517	2.317	1	5		FEBFRP
NC(=[NH2+])c1ccc(-c2cc(-c3ccc(C(N)=[NH2+])cc3[N+](=O)[O-])no2)cc1	ZINC000028644539	220581453	/nfs/dbraw/zinc/58/14/53/220581453.db2.gz	VMDNVKRUPBMRQR-UHFFFAOYSA-N	2	0	350.338	2.485	1	5		FEBFRP