smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1[N+](=O)[O-]	ZINC000101982759	206228165	/nfs/dbraw/zinc/22/81/65/206228165.db2.gz	QXQABHUSWAUMQN-CQSZACIVSA-N	1	1	360.370	0.732	40	5		FCBBMO
C[NH+](C)CCCn1ccc2nc3ccn(-c4nnc[nH]4)c(=O)c3cc2c1=O	ZINC000040372873	208248199	/nfs/dbraw/zinc/24/81/99/208248199.db2.gz	AZZCMHQPSAMSKM-UHFFFAOYSA-N	1	1	365.397	0.770	40	5		FCBBMO
Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1[N+](=O)[O-]	ZINC000014607393	487574512	/nfs/dbraw/zinc/57/45/12/487574512.db2.gz	QXQABHUSWAUMQN-AWEZNQCLSA-N	1	1	360.370	0.732	40	5		FCBBMO
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CC[NH+](C)CC1)S(C)(=O)=O	ZINC000022874136	534335062	/nfs/dbraw/zinc/33/50/62/534335062.db2.gz	VCPRVGVAIWWXSI-UHFFFAOYSA-N	1	1	370.431	0.443	40	5		FCBBMO
COc1cc(OCC(=O)NCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-]	ZINC000069125635	488371197	/nfs/dbraw/zinc/37/11/97/488371197.db2.gz	BOLVDFVFGNETMT-UHFFFAOYSA-N	1	1	353.375	0.821	40	5		FCBBMO
Nn1ccc2nc3ccn(CCC[NH+]4CCOCC4)c(=O)c3cc2c1=O	ZINC000040398639	487814674	/nfs/dbraw/zinc/81/46/74/487814674.db2.gz	WBGHZVFMDOIMSS-UHFFFAOYSA-N	1	1	355.398	0.148	40	5		FCBBMO