smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[NH+](C)C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)NC(C)C	ZINC000020503937	415155958	/nfs/dbraw/zinc/15/59/58/415155958.db2.gz	CPBQVTFLENIRBR-HRCADAONSA-N	2	2	306.454	0.969	40	30	biogenic,in-vitro	DCEBLP
C#CC[NH+](C)C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)NC(C)C	ZINC000020503937	415155961	/nfs/dbraw/zinc/15/59/61/415155961.db2.gz	CPBQVTFLENIRBR-HRCADAONSA-N	2	2	306.454	0.969	40	30	biogenic,in-vitro	DCEBLP
C#CC[N@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=O)NC(C)C	ZINC000020503937	415155980	/nfs/dbraw/zinc/15/59/80/415155980.db2.gz	CPBQVTFLENIRBR-HRCADAONSA-N	2	2	306.454	0.969	40	30	biogenic,in-vitro	DCEBLP
NC(=[NH2+])NN=C1CC(=NNC(N)=[NH2+])c2cc3ccccc3cc21	ZINC000017121087	415155701	/nfs/dbraw/zinc/15/57/01/415155701.db2.gz	UJQDRPLHEPIIAC-ZIOPAAQOSA-N	2	2	308.349	0.618	40	30		DCEBLP
CC[NH+]1CCN(c2c(N)cc(C#N)n2Cc2[nH+]ccn2C)CC1	ZINC000225869745	395864577	/nfs/dbraw/zinc/86/45/77/395864577.db2.gz	BDZXFRMQYOAXKG-UHFFFAOYSA-N	2	2	313.409	0.866	40	30		DCEBLP
NC(=[NH2+])NN=C1CC(=NNC(N)=[NH2+])c2cc3ccccc3cc21	ZINC000104089263	415620870	/nfs/dbraw/zinc/62/08/70/415620870.db2.gz	UJQDRPLHEPIIAC-AYRZQKSOSA-N	2	2	308.349	0.618	40	30		DCEBLP
CCCN(CCN(CC#N)CCC[N@H+](C)CC[NH2+]C)C(N)=O	ZINC000068604803	415395010	/nfs/dbraw/zinc/39/50/10/415395010.db2.gz	PHWJBPHRVGFQLP-UHFFFAOYSA-N	2	2	312.462	0.144	40	30		DCEBLP
CCCN(CCN(CC#N)CCC[N@@H+](C)CC[NH2+]C)C(N)=O	ZINC000068604803	415395017	/nfs/dbraw/zinc/39/50/17/415395017.db2.gz	PHWJBPHRVGFQLP-UHFFFAOYSA-N	2	2	312.462	0.144	40	30		DCEBLP