smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(NCC[N@H+](C)CCO)=[NH+]C	887323747	583508634	/nfs/dbraw/zinc/50/86/34/583508634.db2.gz	GJXMVRDOWOXFOZ-UHFFFAOYSA-N	2	2	188.275	-1.295	20	30		AAEDLP
CNC(NCC[N@@H+](C)CCO)=[NH+]C	887323747	583508636	/nfs/dbraw/zinc/50/86/36/583508636.db2.gz	GJXMVRDOWOXFOZ-UHFFFAOYSA-N	2	2	188.275	-1.295	20	30		AAEDLP
C#CC[NH2+]CC(=O)N1CC[NH+](C)CC1	20033510	166022728	/nfs/dbraw/zinc/02/27/28/166022728.db2.gz	QMRYKLOAQSQSKF-UHFFFAOYSA-N	2	2	195.266	-1.017	20	30		AAEDLP
C[N@H+](C[C@@H](O)C[NH3+])C[C@H](O)CC#N	1578446370	1170725338	/nfs/dbraw/zinc/72/53/38/1170725338.db2.gz	VWGGHQMIRDTBFF-SFYZADRCSA-N	2	2	187.243	-1.488	20	30		AAEDLP
C[N@@H+](C[C@@H](O)C[NH3+])C[C@H](O)CC#N	1578446370	1170725353	/nfs/dbraw/zinc/72/53/53/1170725353.db2.gz	VWGGHQMIRDTBFF-SFYZADRCSA-N	2	2	187.243	-1.488	20	30		AAEDLP
C[N@H+](C[C@H](O)C[NH3+])C[C@H](O)CC#N	1578446369	1170725640	/nfs/dbraw/zinc/72/56/40/1170725640.db2.gz	VWGGHQMIRDTBFF-HTQZYQBOSA-N	2	2	187.243	-1.488	20	30		AAEDLP
C[N@@H+](C[C@H](O)C[NH3+])C[C@H](O)CC#N	1578446369	1170725641	/nfs/dbraw/zinc/72/56/41/1170725641.db2.gz	VWGGHQMIRDTBFF-HTQZYQBOSA-N	2	2	187.243	-1.488	20	30		AAEDLP