smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(CCNc2c3ccccc3nc3c4ccccc4ccc32)CC1	ZINC000045168165	205117574	/nfs/dbraw/zinc/11/75/74/205117574.db2.gz	VVSMIAVAKHUSMS-UHFFFAOYSA-N	0	3	370.500	4.201	1	10		FICFHN
COc1ccccc1-c1ccc(C[C@@H]2[NH2+]CCc3cc(O)cc([O-])c32)cc1	ZINC000103219258	209249512	/nfs/dbraw/zinc/24/95/12/209249512.db2.gz	NDZMLPRIFSBDMD-FQEVSTJZSA-N	0	3	361.441	4.203	1	10		FICFHN
CCCN1CCc2c3ccc4cc(O)c(OC)cc4c3c(OC)c(O)c2C1	ZINC000040872893	208273238	/nfs/dbraw/zinc/27/32/38/208273238.db2.gz	IFMOVFFRZLWNFZ-UHFFFAOYSA-N	0	3	367.445	4.190	1	10	in-vivo	FICFHN
COc1ccccc1-c1ccc(C[C@H]2[NH2+]CCc3cc(O)cc([O-])c32)cc1	ZINC000103219256	222326084	/nfs/dbraw/zinc/32/60/84/222326084.db2.gz	NDZMLPRIFSBDMD-HXUWFJFHSA-N	0	3	361.441	4.203	1	10		FICFHN
[NH3+][C@@H](Cc1ccc(Nc2c3ccccc3nc3ccccc32)cc1)C(=O)[O-]	ZINC000005162774	219656950	/nfs/dbraw/zinc/65/69/50/219656950.db2.gz	SAFOWDFBJHHCLR-SFHVURJKSA-N	0	3	357.413	4.086	1	10		FICFHN
[O-]c1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1F)C2	ZINC000053201292	221043885	/nfs/dbraw/zinc/04/38/85/221043885.db2.gz	IGCYDMHHQHPMEJ-JOCHJYFZSA-N	0	3	354.469	4.019	1	10		FICFHN
[O-]c1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1F)C2	ZINC000053201292	221043886	/nfs/dbraw/zinc/04/38/86/221043886.db2.gz	IGCYDMHHQHPMEJ-JOCHJYFZSA-N	0	3	354.469	4.019	1	10		FICFHN
[O-]c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1F)C2	ZINC000053201290	221043321	/nfs/dbraw/zinc/04/33/21/221043321.db2.gz	IGCYDMHHQHPMEJ-QFIPXVFZSA-N	0	3	354.469	4.019	1	10		FICFHN
[O-]c1ccccc1C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1F)C2	ZINC000053201290	221043324	/nfs/dbraw/zinc/04/33/24/221043324.db2.gz	IGCYDMHHQHPMEJ-QFIPXVFZSA-N	0	3	354.469	4.019	1	10		FICFHN