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+](C)(C)CCSC(=O)CCC(=O)SCC[N+](C)(C)C	ZINC000006068125	717103415	/nfs/dbraw/zinc/10/34/15/717103415.db2.gz	UFPJLFHIAWIYIW-UHFFFAOYSA-N	2	0	322.540	1.699	10	5		DDBERP
[NH3+]C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1	ZINC000261873442	407651820	/nfs/dbraw/zinc/65/18/20/407651820.db2.gz	XQVPGWUSFJYAAE-ZBFHGGJFSA-N	2	0	315.377	1.466	10	5		DDBERP
Cc1cc(NC[C@H]2C[NH2+]CCO2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000262390154	407821919	/nfs/dbraw/zinc/82/19/19/407821919.db2.gz	ZRDJKUWMIQRKEP-GFCCVEGCSA-N	2	0	302.334	1.852	10	5		DDBERP
Cc1cc(NC[C@@H]2C[NH2+]CCO2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000262390156	407822413	/nfs/dbraw/zinc/82/24/13/407822413.db2.gz	ZRDJKUWMIQRKEP-LBPRGKRZSA-N	2	0	302.334	1.852	10	5		DDBERP
CCCOP(=O)(NCC[N+](C)(C)C)NCC[N+](C)(C)C	ZINC000002016801	717093921	/nfs/dbraw/zinc/09/39/21/717093921.db2.gz	QJJYHUOXHRQVAO-UHFFFAOYSA-N	2	0	310.423	1.113	10	5		DDBERP
O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]C[C@H]1O	ZINC000263283924	408090513	/nfs/dbraw/zinc/09/05/13/408090513.db2.gz	USSCJXMNOMONHS-PWXKEOIMSA-N	2	0	319.405	1.476	10	5		DDBERP
[NH3+]C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1	ZINC000261671144	407574819	/nfs/dbraw/zinc/57/48/19/407574819.db2.gz	HQFZUSKQSPYJHG-CABCVRRESA-N	2	0	315.377	1.466	10	5		DDBERP
C[N+]1(Cc2ccc(C[N+]3(C)CCOCC3)cc2)CCOCC1	ZINC000006068276	181310560	/nfs/dbraw/zinc/31/05/60/181310560.db2.gz	QNEOZASMPVJLFD-UHFFFAOYSA-N	2	0	306.450	1.640	10	5		DDBERP
Cc1cc(N2CCO[C@@H](C[NH3+])C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000262405021	407825540	/nfs/dbraw/zinc/82/55/40/407825540.db2.gz	CPNBCXFZUOOLPY-LBPRGKRZSA-N	2	0	302.334	1.615	10	5		DDBERP
C[N+]1(CCC[N+]2(C)CC[N+](C)(C)CC2)C[C@H]2CC=CC[C@@H]2C1	ZINC000033868277	717122585	/nfs/dbraw/zinc/12/25/85/717122585.db2.gz	HQBORUXHHOTBEM-RTBURBONSA-N	3	0	308.534	1.956	10	5		DDBERP
CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1	ZINC000262531191	407859170	/nfs/dbraw/zinc/85/91/70/407859170.db2.gz	PNWRIYUFCHNSKU-ZDUSSCGKSA-N	2	0	306.366	1.268	10	5		DDBERP
C[N+]1(C)CCN(CCCCCCN2CC[N+](C)(C)CC2)CC1	ZINC000033882878	717122909	/nfs/dbraw/zinc/12/29/09/717122909.db2.gz	BOODVADEODPKJS-UHFFFAOYSA-N	2	0	312.546	1.331	10	5		DDBERP
Cc1cc(N2CCO[C@H](C[NH3+])C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000262405015	280564644	/nfs/dbraw/zinc/56/46/44/280564644.db2.gz	CPNBCXFZUOOLPY-GFCCVEGCSA-N	2	0	302.334	1.615	10	5		DDBERP
O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O	ZINC000263283925	408091528	/nfs/dbraw/zinc/09/15/28/408091528.db2.gz	USSCJXMNOMONHS-QEWYBTABSA-N	2	0	319.405	1.476	10	5		DDBERP
C[N+]1(CCC[N+]2(C)CC[N+](C)(C)CC2)C[C@@H]2CC=CC[C@H]2C1	ZINC000033868278	717122355	/nfs/dbraw/zinc/12/23/55/717122355.db2.gz	HQBORUXHHOTBEM-OALUTQOASA-N	3	0	308.534	1.956	10	5		DDBERP
O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]C[C@@H]1O	ZINC000263283922	408090274	/nfs/dbraw/zinc/09/02/74/408090274.db2.gz	USSCJXMNOMONHS-GUSZCTEKSA-N	2	0	319.405	1.476	10	5		DDBERP
CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1	ZINC000262531189	407858244	/nfs/dbraw/zinc/85/82/44/407858244.db2.gz	PNWRIYUFCHNSKU-CYBMUJFWSA-N	2	0	306.366	1.268	10	5		DDBERP
O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1O	ZINC000263283923	408091064	/nfs/dbraw/zinc/09/10/64/408091064.db2.gz	USSCJXMNOMONHS-NZUILWFCSA-N	2	0	319.405	1.476	10	5		DDBERP
C[N+]1(CCCCCCC[N+]2(C)CCOCC2)CCOCC1	ZINC000006068262	181310935	/nfs/dbraw/zinc/31/09/35/181310935.db2.gz	IUFWIRNIWMLGER-UHFFFAOYSA-N	2	0	300.487	1.891	10	5		DDBERP
[NH3+]CCNC(=O)c1ccc(NCC[NH3+])c2cc3ccccc3nc12	ZINC000027551139	406911198	/nfs/dbraw/zinc/91/11/98/406911198.db2.gz	IXEPFZQKTVZFCC-UHFFFAOYSA-N	2	0	323.400	1.447	10	5		DDBERP