smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])N[C@@H]1CCCNC1	199495608	582690541	/nfs/dbraw/zinc/69/05/41/582690541.db2.gz	BKFIDJBLHARZFB-RXMQYKEDSA-N	1	3	142.206	-0.988	40	30		ABEBHO
CC(C[n+]1ccccc1)N=NC(=N)N	12671316	166056891	/nfs/dbraw/zinc/05/68/91/166056891.db2.gz	DBSHMGCYIXRCCQ-XYOKQWHBSA-N	1	3	192.246	-0.167	40	30	in-vitro	ABEBHO
C1C[S+]2CCN1CC2	4962228	166109250	/nfs/dbraw/zinc/10/92/50/166109250.db2.gz	LUMOOLMMNBLYTB-UHFFFAOYSA-N	1	3	130.236	-0.066	40	30		ABEBHO
N=C(NC(N)=[NH2+])Nc1cccc(O)c1	3075802	169137834	/nfs/dbraw/zinc/13/78/34/169137834.db2.gz	MPTSPQBMSHVJEB-UHFFFAOYSA-N	1	3	193.210	-0.179	40	30		ABEBHO
N=C(NC(N)=[NH2+])Nc1ccc(O)cc1	1714300	169138185	/nfs/dbraw/zinc/13/81/85/169138185.db2.gz	FFYTTYZHIOPZGZ-UHFFFAOYSA-N	1	3	193.210	-0.179	40	30		ABEBHO
CCNC(=N)C(=[NH2+])NCC	1716285	342961678	/nfs/dbraw/zinc/96/16/78/342961678.db2.gz	WTVAOEKGONIERO-UHFFFAOYSA-N	1	3	142.206	-0.050	40	30		ABEBHO