smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(ccc3c4c(c(O)c(OC)c32)C[N@@H+](C(C)C)CC4)cc1O	ZINC000039161129	205044912	/nfs/dbraw/zinc/04/49/12/205044912.db2.gz	AWJWBWOWUNPLTO-UHFFFAOYSA-N	1	1	367.445	4.188	1	10	in-vivo	FICFMO
C[N@H+]1CCc2ccc(Cc3ccccc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000096272454	209148867	/nfs/dbraw/zinc/14/88/67/209148867.db2.gz	PNZJHNPWNQIJPQ-LJQANCHMSA-N	1	1	357.453	4.441	1	10		FICFMO
C/C=C/C[N@H+]1CCc2c(Cl)c(O)c(O)cc2[C@H](c2ccc(O)cc2)C1	ZINC000027850487	207943223	/nfs/dbraw/zinc/94/32/23/207943223.db2.gz	LTKPGQBANQDVDS-YATRRXNKSA-N	1	1	359.853	4.023	1	10		FICFMO
Cc1cccc2c(NCCC[N+](C)(C)[O-])c3c([N+](=O)[O-])ccc(C)c3[nH+]c12	ZINC000026506686	207916938	/nfs/dbraw/zinc/91/69/38/207916938.db2.gz	RXQQWJKAVMXZPL-UHFFFAOYSA-N	1	1	368.437	4.289	1	10		FICFMO
Nc1ccc(CC[N@H+]2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)cc1	ZINC000005161858	207084162	/nfs/dbraw/zinc/08/41/62/207084162.db2.gz	ZRCMOECJOLTRBV-QPTUXGOLSA-N	1	1	362.517	4.276	1	10		FICFMO
CCC[N@H+]1CCc2c3ccc4cc(O)c(OC)cc4c3c(OC)c(O)c2C1	ZINC000040872893	208273232	/nfs/dbraw/zinc/27/32/32/208273232.db2.gz	IFMOVFFRZLWNFZ-UHFFFAOYSA-N	1	1	367.445	4.190	1	10	in-vivo	FICFMO
Cc1[nH+]ccn1Cc1c2nc(CSc3ccccc3)n(C)c2ccc1O	ZINC000064550014	212038277	/nfs/dbraw/zinc/03/82/77/212038277.db2.gz	MABBYTQLPAWTME-UHFFFAOYSA-N	1	1	364.474	4.124	1	10		FICFMO
CCCC[NH2+]Cc1cc(C(C)(C)C)cc(I)c1O	ZINC000027858341	220548341	/nfs/dbraw/zinc/54/83/41/220548341.db2.gz	IRHMAWYHKJFRSN-UHFFFAOYSA-N	1	1	361.267	4.184	1	10		FICFMO
C[N@H+]1CCc2ccc(Cc3ccc(O)cc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000096272452	222106970	/nfs/dbraw/zinc/10/69/70/222106970.db2.gz	IAGDALNWLBGHNU-LJQANCHMSA-N	1	1	373.452	4.146	1	10		FICFMO
Oc1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1F)C2	ZINC000053201292	221043869	/nfs/dbraw/zinc/04/38/69/221043869.db2.gz	IGCYDMHHQHPMEJ-JOCHJYFZSA-N	1	1	354.469	4.019	1	10		FICFMO
Oc1ccccc1C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1F)C2	ZINC000053201290	221043306	/nfs/dbraw/zinc/04/33/06/221043306.db2.gz	IGCYDMHHQHPMEJ-QFIPXVFZSA-N	1	1	354.469	4.019	1	10		FICFMO