smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=[NH2+])c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=[NH2+])NC)cc3)cc2)cc1	ZINC000001684447	555709244	/nfs/dbraw/zinc/70/92/44/555709244.db2.gz	UTMDQKYTPWDCKD-UHFFFAOYSA-N	2	0	428.496	3.071	40	30		IGEBRP
CCN(CC)c1ccc(C=NNC(=N)C(=N)NN=Cc2ccc(N(CC)CC)cc2)cc1	ZINC000033750410	556567391	/nfs/dbraw/zinc/56/73/91/556567391.db2.gz	DJQXAHHVHYDKCQ-HJTNQMAYSA-N	2	0	434.592	3.461	40	30		IGEBRP
CNC(=[NH2+])c1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C(=[NH2+])NC)c3)cc2)c1	ZINC000001685578	555709293	/nfs/dbraw/zinc/70/92/93/555709293.db2.gz	QBBAYDHDXFHGDM-UHFFFAOYSA-N	2	0	428.496	3.071	40	30		IGEBRP
COc1ccc(C2C3=C(CC[C@@H](C[NH+](C)C)C3=O)OC3=C2C(=O)[C@H](C[NH+](C)C)CC3)cc1	ZINC000001588172	555704483	/nfs/dbraw/zinc/70/44/83/555704483.db2.gz	SJVGJIZBTJFHHM-ROUUACIJSA-N	2	0	438.568	3.399	40	30		IGEBRP
COc1ccc(C2C3=C(CC[C@H](C[NH+](C)C)C3=O)OC3=C2C(=O)[C@H](C[NH+](C)C)CC3)cc1	ZINC000001588171	555704545	/nfs/dbraw/zinc/70/45/45/555704545.db2.gz	SJVGJIZBTJFHHM-VSOVRNOCSA-N	2	0	438.568	3.399	40	30		IGEBRP
COc1ccc(C2C3=C(CC[C@H](C[NH+](C)C)C3=O)OC3=C2C(=O)[C@@H](C[NH+](C)C)CC3)cc1	ZINC000001588173	555704416	/nfs/dbraw/zinc/70/44/16/555704416.db2.gz	SJVGJIZBTJFHHM-QZTJIDSGSA-N	2	0	438.568	3.399	40	30		IGEBRP