smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC1(O)C[C@H](C)[N@H+](C)[C@H](C)C1	368500	166014259	/nfs/dbraw/zinc/01/42/59/166014259.db2.gz	RPYVIDQHSNAQAX-ULKQDVFKSA-N	1	1	167.252	0.853	1	30		ACEFMO
CC=[NH+]c1ccnc(=O)[nH]1	84711568	166069995	/nfs/dbraw/zinc/06/99/95/166069995.db2.gz	QSJNRTCJVPCSHR-FARCUNLSSA-N	1	1	137.142	0.492	1	30		ACEFMO
C=C[C@@H]1C[NH2+]1	34514390	166215299	/nfs/dbraw/zinc/21/52/99/166215299.db2.gz	SQRSDAJKJORZLJ-SCSAIBSYSA-N	1	1	69.107	0.144	1	30	in-vitro	ACEFMO
C=C[C@H]1C[NH2+]1	34514391	166221175	/nfs/dbraw/zinc/22/11/75/166221175.db2.gz	SQRSDAJKJORZLJ-BYPYZUCNSA-N	1	1	69.107	0.144	1	30	in-vitro	ACEFMO
CC(=O)N(C)CC#CC[NH+]1CCC1	13820908	166253167	/nfs/dbraw/zinc/25/31/67/166253167.db2.gz	WICVDCAIRGWXQM-UHFFFAOYSA-N	1	1	180.251	0.174	1	30		ACEFMO
CC[N@@H+](C)CC#CCN1CCCC1=O	13454534	167141299	/nfs/dbraw/zinc/14/12/99/167141299.db2.gz	JSKWGKQVODJEEJ-UHFFFAOYSA-N	1	1	194.278	0.564	1	30		ACEFMO
CO/N=C(\C#N)C1=CCC[N@H+](C)C1	27642129	168075218	/nfs/dbraw/zinc/07/52/18/168075218.db2.gz	CBOPDFIRBQHXIG-PKNBQFBNSA-N	1	1	179.223	0.774	1	30		ACEFMO
CO/N=C(\C#N)C1=CCC[N@@H+](C)C1	27642129	168075220	/nfs/dbraw/zinc/07/52/20/168075220.db2.gz	CBOPDFIRBQHXIG-PKNBQFBNSA-N	1	1	179.223	0.774	1	30		ACEFMO
CO/N=C(/C#N)C1=CCC[N@H+](C)C1	36288990	168075922	/nfs/dbraw/zinc/07/59/22/168075922.db2.gz	CBOPDFIRBQHXIG-LUAWRHEFSA-N	1	1	179.223	0.774	1	30		ACEFMO
CO/N=C(/C#N)C1=CCC[N@@H+](C)C1	36288990	168075923	/nfs/dbraw/zinc/07/59/23/168075923.db2.gz	CBOPDFIRBQHXIG-LUAWRHEFSA-N	1	1	179.223	0.774	1	30		ACEFMO
COCC/[NH+]=C(/C=N/O)N(C)C	73257761	168150730	/nfs/dbraw/zinc/15/07/30/168150730.db2.gz	UBQGJRBCGAHMCA-SOKJVCRVSA-N	1	1	173.216	0.053	1	30		ACEFMO
O=C1CCCN1CC#CC[NH+]1CCC1	5133382	169371267	/nfs/dbraw/zinc/37/12/67/169371267.db2.gz	ZOQXZSBVIOSOGM-UHFFFAOYSA-N	1	1	192.262	0.318	1	30		ACEFMO
C=C=CC(=O)C1=CC[N@@H+](C)CC1	27647851	171046956	/nfs/dbraw/zinc/04/69/56/171046956.db2.gz	BFJRTWBKFXYCIK-UHFFFAOYSA-N	1	1	163.220	0.841	1	30		ACEFMO
CN(C)C(/C=N/O)=[NH+]\C1CCC1	73257765	171111598	/nfs/dbraw/zinc/11/15/98/171111598.db2.gz	ZUAJLYYWLQMVIH-BXXMFMFASA-N	1	1	169.228	0.959	1	30		ACEFMO
CN(C)C(/C=N/O)=[NH+]\C1CC1	73278011	171111606	/nfs/dbraw/zinc/11/16/06/171111606.db2.gz	UDWIQWIXBGUZOE-KCGQVOQMSA-N	1	1	155.201	0.569	1	30		ACEFMO