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+](CC=C)CCCCCC[NH3+]	20071237	166171987	/nfs/dbraw/zinc/17/19/87/166171987.db2.gz	IMJWORTWCRQFAE-UHFFFAOYSA-N	2	0	196.338	2.180	40	30		AEEBRP
C=CC[NH+](CC=C)CC[C@@H]([NH3+])C(C)C	96523826	166172123	/nfs/dbraw/zinc/17/21/23/166172123.db2.gz	QXVRVQGOMHWRAA-GFCCVEGCSA-N	2	0	196.338	2.034	40	30		AEEBRP
C=CC[NH+](CC=C)CC[C@H]([NH3+])C(C)C	96523827	166174526	/nfs/dbraw/zinc/17/45/26/166174526.db2.gz	QXVRVQGOMHWRAA-LBPRGKRZSA-N	2	0	196.338	2.034	40	30		AEEBRP
CC[S+](CC)C[S+](CC)CC	4995515	342997919	/nfs/dbraw/zinc/99/79/19/342997919.db2.gz	AVQFIPGBQCFRAZ-UHFFFAOYSA-N	2	0	194.409	2.260	40	30		AEEBRP
CCCCCCC[N@@H+]1CCC[NH2+]CC1	59088116	343342146	/nfs/dbraw/zinc/34/21/46/343342146.db2.gz	HGOXOBRAZUAPLN-UHFFFAOYSA-N	2	0	198.354	2.252	40	30		AEEBRP