smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)([N+](=O)[O-])[N+](=O)Nc1nonc1N[N+](=O)C(C)(C)[N+](=O)[O-]	ZINC000225422789	201034742	/nfs/dbraw/zinc/03/47/42/201034742.db2.gz	LPDAMBCLSDZMGZ-UHFFFAOYSA-N	2	2	334.249	1.066	50	10		EDCALP
O=C(NCC[NH+]1CCOCC1)C1CC[NH+](Cc2ccccc2O)CC1	ZINC000004278528	210160259	/nfs/dbraw/zinc/16/02/59/210160259.db2.gz	OJINZKNPDGJFEW-UHFFFAOYSA-N	2	2	347.459	1.053	50	10		EDCALP
Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1	ZINC000011710153	441123442	/nfs/dbraw/zinc/12/34/42/441123442.db2.gz	DFCPBFSZKJMYRK-NVXWUHKLSA-N	2	2	340.851	1.438	50	10		EDCALP
Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1	ZINC000011710153	441123445	/nfs/dbraw/zinc/12/34/45/441123445.db2.gz	DFCPBFSZKJMYRK-NVXWUHKLSA-N	2	2	340.851	1.438	50	10		EDCALP
CC(C)(C)c1ccc(O)c(C[N@@H+]2CCO[C@@]3(C2)C[NH2+]CCOC3)c1	ZINC000072125379	216016969	/nfs/dbraw/zinc/01/69/69/216016969.db2.gz	AWZZADHGQZLIFO-LJQANCHMSA-N	2	2	334.460	1.881	50	10		EDCALP
CC(C)(C)c1ccc(O)c(C[N@H+]2CCO[C@@]3(C2)C[NH2+]CCOC3)c1	ZINC000072125379	216016971	/nfs/dbraw/zinc/01/69/71/216016971.db2.gz	AWZZADHGQZLIFO-LJQANCHMSA-N	2	2	334.460	1.881	50	10		EDCALP
Oc1c(C[NH+]2CCOCC2)cc(C[NH+]2CCOCC2)c2cccnc12	ZINC000019878916	202025731	/nfs/dbraw/zinc/02/57/31/202025731.db2.gz	KHPPAJXHNDBRGW-UHFFFAOYSA-N	2	2	343.427	1.605	50	10		EDCALP
O=C1CN(c2ccc(C[NH2+]C[C@H]3CCCn4cc[nH+]c43)cc2)CCN1	ZINC000089787900	441580021	/nfs/dbraw/zinc/58/00/21/441580021.db2.gz	ZFKSWWJBEIANMJ-MRXNPFEDSA-N	2	2	339.443	1.487	50	10		EDCALP