smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1	ZINC000218078789	557176804	/nfs/dbraw/zinc/17/68/04/557176804.db2.gz	YMMDXAIOLWIZQC-UHFFFAOYSA-N	1	1	444.560	4.629	40	70		IJIBMO
O=C(c1cnc2c(Cl)cccc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21	ZINC000218082363	557176687	/nfs/dbraw/zinc/17/66/87/557176687.db2.gz	KOHKTTQBTBLOLG-FOHILQBSSA-N	1	1	437.971	4.629	40	70		IJIBMO
Cc1cccc(-c2noc(CNC(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)n2)c1	ZINC000218078359	557176473	/nfs/dbraw/zinc/17/64/73/557176473.db2.gz	XQADEYLZJGEONJ-UHFFFAOYSA-N	1	1	438.531	4.533	40	70		IJIBMO
CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1	ZINC000218078678	557176747	/nfs/dbraw/zinc/17/67/47/557176747.db2.gz	VOWPVFFORCVFFL-UHFFFAOYSA-N	1	1	438.531	4.567	40	70		IJIBMO
O=C(c1cnc2c(Cl)cccc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21	ZINC000218082287	557176766	/nfs/dbraw/zinc/17/67/66/557176766.db2.gz	KOHKTTQBTBLOLG-XQYWTEMXSA-N	1	1	437.971	4.629	40	70		IJIBMO
O=C(NCCCN1CCCc2ccccc21)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1	ZINC000218079104	557176782	/nfs/dbraw/zinc/17/67/82/557176782.db2.gz	MEGFZELZCXHENM-UHFFFAOYSA-N	1	1	439.603	4.818	40	70		IJIBMO
Cc1ccc(-c2noc(CNC(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)n2)cc1	ZINC000218078471	557176336	/nfs/dbraw/zinc/17/63/36/557176336.db2.gz	HSGCSBRXDDXQJQ-UHFFFAOYSA-N	1	1	438.531	4.533	40	70		IJIBMO