smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(c2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])CC1	ZINC000005033251	273666918	/nfs/dbraw/zinc/66/69/18/273666918.db2.gz	XSUQDTOPZOFICM-UHFFFAOYSA-N	1	1	337.384	-0.055	50	5		EBBAMO
Nc1nc(NCCC[NH+]2CCOCC2)nc(NCCO)c1[N+](=O)[O-]	ZINC000020358279	202039604	/nfs/dbraw/zinc/03/96/04/202039604.db2.gz	RYOUJPBAONDIBR-UHFFFAOYSA-N	1	1	341.372	-0.495	50	5		EBBAMO
C[NH+]1CCN(c2nc(NCCOCCO)nc(N)c2[N+](=O)[O-])CC1	ZINC000009159588	379957131	/nfs/dbraw/zinc/95/71/31/379957131.db2.gz	JXUFSXGRUBMXSD-UHFFFAOYSA-N	1	1	341.372	-0.860	50	5		EBBAMO
CN1CCN(c2nc(N3CC[NH+](C)CC3)nc(N)c2[N+](=O)[O-])CC1	ZINC000005119829	277113791	/nfs/dbraw/zinc/11/37/91/277113791.db2.gz	UEKWTTNJIUMXEB-UHFFFAOYSA-N	1	1	336.400	-0.529	50	5		EBBAMO
Cn1c2cc([N+](=O)[O-])c(N3CC[NH+](CCO)CC3)cc2n(C)c1=O	ZINC000019868587	379491587	/nfs/dbraw/zinc/49/15/87/379491587.db2.gz	DAJDMRZCODRJLG-UHFFFAOYSA-N	1	1	335.364	-0.101	50	5		EBBAMO
CC[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)CC1	ZINC000005050734	273666896	/nfs/dbraw/zinc/66/68/96/273666896.db2.gz	ZYZJGOGOFITOQT-UHFFFAOYSA-N	1	1	337.384	-0.055	50	5		EBBAMO
CS(=O)(=O)c1ccc(N2CC[NH2+][C@@H](C(N)=O)C2)c([N+](=O)[O-])c1	ZINC000057452095	295557212	/nfs/dbraw/zinc/55/72/12/295557212.db2.gz	GQARYIJZACVUFG-SECBINFHSA-N	1	1	328.350	-0.738	50	5		EBBAMO
CS(=O)(=O)c1ccc(N2CC[NH2+][C@H](C(N)=O)C2)c([N+](=O)[O-])c1	ZINC000057452094	295557207	/nfs/dbraw/zinc/55/72/07/295557207.db2.gz	GQARYIJZACVUFG-VIFPVBQESA-N	1	1	328.350	-0.738	50	5		EBBAMO
C[NH+](C)[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O	ZINC000328596231	258042525	/nfs/dbraw/zinc/04/25/25/258042525.db2.gz	XZSBGGZJHGHXDR-KBPBESRZSA-N	1	1	343.405	-0.025	50	5		EBBAMO
O=C1C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]2N1	ZINC000725375563	650036631	/nfs/dbraw/zinc/03/66/31/650036631.db2.gz	NTLKSYGUPBLJFN-VHSXEESVSA-N	1	1	340.361	-0.554	50	5		EBBAMO