smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)[C@H]2CC3=C(CCCCNC(N)=[NH2+])C(=O)C[C@]31[C@H](CCCCO)[C@@H](CO)C2	ZINC000085549621	291217767	/nfs/dbraw/zinc/21/77/67/291217767.db2.gz	ZAUMEUDVFZVNHI-VKFSDXRQSA-N	1	0	405.583	2.523	1	30	biogenic,in-vitro	HFEFRO
CC1CCN(c2cc(N3CC[NH+](C)CC3)cnc2NC(=O)c2ccc(C#N)o2)CC1	ZINC000029039502	581091461	/nfs/dbraw/zinc/09/14/61/581091461.db2.gz	LLMXYGNWHKKVNI-UHFFFAOYSA-N	1	0	408.506	2.787	1	30		HFEFRO
CC#CCn1c(C(=O)NCc2nc(C)cc3ccccc32)cnc1N1CCC[C@H]([NH3+])C1	ZINC000029044899	581094346	/nfs/dbraw/zinc/09/43/46/581094346.db2.gz	NWJTZYFACPAZNQ-IBGZPJMESA-N	1	0	416.529	2.621	1	30		HFEFRO
N#Cc1cccnc1N1CC[NH+](CCCCN2C(=O)SC3(CCCC3)C2=O)CC1	ZINC000027704521	132227571	/nfs/dbraw/zinc/22/75/71/132227571.db2.gz	BALZWNJGDNTUFK-UHFFFAOYSA-N	1	0	413.547	2.864	1	30		HFEFRO
[NH3+][C@@H](CS)CN1CCN(C(=O)c2cccc3ccccc32)C[C@@H]1CCOC1CC1	ZINC000022444723	581100996	/nfs/dbraw/zinc/10/09/96/581100996.db2.gz	GYHJYVOLUAYUGE-MOPGFXCFSA-N	1	0	413.587	2.792	1	30		HFEFRO
C=C(C1CCCCC1)[C@H]1CC[C@@](C)(O)[C@H]2C[C@H](O)[C@@](O)(CCNC(=[NH2+])NC)[C@H]2C1	ZINC000085549758	291214376	/nfs/dbraw/zinc/21/43/76/291214376.db2.gz	GVGSJJACLILKTL-PWCQDKJGSA-N	1	0	407.599	2.536	1	30	biogenic,in-vitro	HFEFRO
N#Cc1ccc(Cn2cncc2CC[NH2+][C@H]2CCN(CCc3ccccc3)C2=O)cc1	ZINC000013863854	581101126	/nfs/dbraw/zinc/10/11/26/581101126.db2.gz	ZFIIDVFVNVOHRN-DEOSSOPVSA-N	1	0	413.525	2.779	1	30		HFEFRO
CC1CCN(c2nc(N3CC[NH+](C)CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1	ZINC000029039494	581091387	/nfs/dbraw/zinc/09/13/87/581091387.db2.gz	DXERWJSIFQBTCI-UHFFFAOYSA-N	1	0	408.506	2.787	1	30		HFEFRO
COc1ccc(S(=O)(=O)C2(C(=O)NO)CC[NH+](C3CCCCCCC3)CC2)cc1	ZINC000013520999	581097714	/nfs/dbraw/zinc/09/77/14/581097714.db2.gz	GJICTISPMDMSQH-UHFFFAOYSA-N	1	0	424.563	2.922	1	30		HFEFRO
Cc1cc(OCCCN=NC(N)=[NH2+])cc(OS(=O)(=O)c2ccc(Cl)s2)c1	ZINC000027312884	581093081	/nfs/dbraw/zinc/09/30/81/581093081.db2.gz	DJPVYRCQPBSTMM-PTXOJBNSSA-N	1	0	416.912	2.506	1	30		HFEFRO
Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)OCc1ccc(S(N)(=O)=O)cc1	ZINC000013804452	581091330	/nfs/dbraw/zinc/09/13/30/581091330.db2.gz	NUCZENDOFFEBPP-UHFFFAOYSA-N	1	0	411.503	2.649	1	30		HFEFRO
CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)[NH2+]CC(=O)N1C[C@@H](F)C[C@H]1C#N	ZINC000040866214	581093377	/nfs/dbraw/zinc/09/33/77/581093377.db2.gz	AMXXUGYFUBHRPW-FJIDUMEYSA-N	1	0	420.916	2.533	1	30		HFEFRO
CC#CCn1c(C(=O)NCc2nc(C)cc3ccccc32)cnc1N1CCC[C@@H]([NH3+])C1	ZINC000029044895	581094219	/nfs/dbraw/zinc/09/42/19/581094219.db2.gz	NWJTZYFACPAZNQ-LJQANCHMSA-N	1	0	416.529	2.621	1	30		HFEFRO
CCCC[C@H](O)CCCCCC[C@@H](NC1=[NH+]CC=C1)C(=CC(=O)[O-])CNC(N)=[NH2+]	ZINC000085510337	291218795	/nfs/dbraw/zinc/21/87/95/291218795.db2.gz	FXXMVGILXWLPFO-QUSVSHMOSA-N	1	0	406.551	2.757	1	30	biogenic,in-vitro	HFEFRO