smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)c1ccc(NN=C(C(C)=O)C(C)=O)cc1	ZINC000059662143	369581838	/nfs/dbraw/zinc/58/18/38/369581838.db2.gz	QKWUSQKSLUWDOB-WUKNDPDISA-N	1	2	275.352	3.163	40	10		CGCBLO
Cc1c(Cl)cc(C(C)C)c(O)c1C[NH+]1CCOCC1	ZINC000031628492	291547335	/nfs/dbraw/zinc/54/73/35/291547335.db2.gz	TZOHETQYVQSHIL-UHFFFAOYSA-N	1	2	283.799	3.310	40	10		CGCBLO
Cc1ccc(C)n1-c1ccc([NH+]2CCCC2)c(N)c1	ZINC000059549669	278799002	/nfs/dbraw/zinc/79/90/02/278799002.db2.gz	IWWCGISLCYDFNL-UHFFFAOYSA-N	1	2	255.365	3.277	40	10		CGCBLO
Cc1cc2[nH]c(Cc3ccc(N)cc3)[nH+]c2cc1C	ZINC000019733982	368761786	/nfs/dbraw/zinc/76/17/86/368761786.db2.gz	AUFGLTJVTCKBIO-UHFFFAOYSA-N	1	2	251.333	3.353	40	10		CGCBLO
Oc1ccccc1[C@H]1Nc2cc(Cl)ccc2C2=[NH+]CCN21	ZINC000012188493	296593403	/nfs/dbraw/zinc/59/34/03/296593403.db2.gz	MXYSTKGPXHJCCO-INIZCTEOSA-N	1	2	299.761	3.232	40	10		CGCBLO
Cc1ccc(C)n1-c1ncccc1C1=[NH+]CCCC1	ZINC000072216833	301564632	/nfs/dbraw/zinc/56/46/32/301564632.db2.gz	QGDNAJGMXPCIKS-UHFFFAOYSA-N	1	2	253.349	3.462	40	10		CGCBLO
Oc1ccccc1[C@@H]1Nc2cc(Cl)ccc2C2=[NH+]CCN21	ZINC000012188490	368605383	/nfs/dbraw/zinc/60/53/83/368605383.db2.gz	MXYSTKGPXHJCCO-MRXNPFEDSA-N	1	2	299.761	3.232	40	10		CGCBLO