smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001354185356	918167824	/nfs/dbraw/zinc/16/78/24/918167824.db2.gz	RDEZGMGAPMRQGA-CYBMUJFWSA-N	2	1	312.374	-1.011	20	5		DABDMP
[NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@@H]2NCN[C@H]21	ZINC001162445420	779858470	/nfs/dbraw/zinc/85/84/70/779858470.db2.gz	UGRMVEVTDKOPGQ-AXFHLTTASA-N	2	1	321.345	-2.432	20	5		DABDMP
[NH3+]Cc1ncn(-c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])n1	ZINC001157928094	776495561	/nfs/dbraw/zinc/49/55/61/776495561.db2.gz	AGLQAGQWGNQIEM-UHFFFAOYSA-N	2	1	305.302	-1.166	20	5		DABDMP
O=C1C[NH2+]CCN1CCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001161024678	779824545	/nfs/dbraw/zinc/82/45/45/779824545.db2.gz	HFOBVLFOZCTKPR-UHFFFAOYSA-N	2	1	321.341	-1.085	20	5		DABDMP
NC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC[NH2+]1	ZINC001166725096	779891571	/nfs/dbraw/zinc/89/15/71/779891571.db2.gz	BJUADYGMEVEQBP-QMMMGPOBSA-N	2	1	307.314	-1.665	20	5		DABDMP
NC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC[NH2+]1	ZINC001166725094	779891911	/nfs/dbraw/zinc/89/19/11/779891911.db2.gz	BJUADYGMEVEQBP-MRVPVSSYSA-N	2	1	307.314	-1.665	20	5		DABDMP
C[N@@H+](CCN1CC[NH2+]CC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001354185358	918168303	/nfs/dbraw/zinc/16/83/03/918168303.db2.gz	RDEZGMGAPMRQGA-ZDUSSCGKSA-N	2	1	312.374	-1.011	20	5		DABDMP
[NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@@H]2NCN[C@@H]21	ZINC001162445423	779858898	/nfs/dbraw/zinc/85/88/98/779858898.db2.gz	UGRMVEVTDKOPGQ-MXWKQRLJSA-N	2	1	321.345	-2.432	20	5		DABDMP
[NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@H]2NCN[C@H]21	ZINC001162445422	779858409	/nfs/dbraw/zinc/85/84/09/779858409.db2.gz	UGRMVEVTDKOPGQ-HBNTYKKESA-N	2	1	321.345	-2.432	20	5		DABDMP
C[NH+]1CCN(C(=O)COC(=O)C[C@@H](O)C[N+](C)(C)C)CC1	ZINC001222537201	780310915	/nfs/dbraw/zinc/31/09/15/780310915.db2.gz	SKBAYYGKPHKMGG-GFCCVEGCSA-N	2	1	302.395	-1.239	20	5		DABDMP
[NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@H]2NCN[C@@H]21	ZINC001162445421	779858481	/nfs/dbraw/zinc/85/84/81/779858481.db2.gz	UGRMVEVTDKOPGQ-GMTAPVOTSA-N	2	1	321.345	-2.432	20	5		DABDMP