smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCC(CC[NH+](C)C)=N[O-]	5891973	343009139	/nfs/dbraw/zinc/00/91/39/343009139.db2.gz	DSUDLWJBSOIBIK-UHFFFAOYSA-N	1	3	187.287	0.720	40	30		ACEBHO
C[C@H]1C[NH+]=C(NCCN)S1	33674003	343106356	/nfs/dbraw/zinc/10/63/56/343106356.db2.gz	YZGKHVLLANMHFI-YFKPBYRVSA-N	1	3	159.258	0.026	40	30		ACEBHO
CC(=[NH2+])NCCCN(C)C	2557778	166057916	/nfs/dbraw/zinc/05/79/16/166057916.db2.gz	RQOAIBMORQPIBH-UHFFFAOYSA-N	1	3	143.234	0.315	40	30		ACEBHO
CC(=O)[C@@H](N)CCCC[NH3+]	100498196	166140003	/nfs/dbraw/zinc/14/00/03/166140003.db2.gz	VOCTVOOASBGIIP-ZETCQYMHSA-N	1	3	144.218	0.514	40	30		ACEBHO
C=CC[N@H+]1CCCC[C@H]1CN	44557476	166174864	/nfs/dbraw/zinc/17/48/64/166174864.db2.gz	MBLHPAXIZFCLHY-VIFPVBQESA-N	1	3	154.257	0.986	40	30		ACEBHO
C=CC[N@@H+]1CCCC[C@H]1CN	44557476	166174867	/nfs/dbraw/zinc/17/48/67/166174867.db2.gz	MBLHPAXIZFCLHY-VIFPVBQESA-N	1	3	154.257	0.986	40	30		ACEBHO
C=CC[N@H+]1CCCC[C@@H]1CN	44557474	166175059	/nfs/dbraw/zinc/17/50/59/166175059.db2.gz	MBLHPAXIZFCLHY-SECBINFHSA-N	1	3	154.257	0.986	40	30		ACEBHO
C=CC[N@@H+]1CCCC[C@@H]1CN	44557474	166175060	/nfs/dbraw/zinc/17/50/60/166175060.db2.gz	MBLHPAXIZFCLHY-SECBINFHSA-N	1	3	154.257	0.986	40	30		ACEBHO
C=CC[NH2+]C[C@H](O)CN(CC)CC	2044757	166187978	/nfs/dbraw/zinc/18/79/78/166187978.db2.gz	KMPRAIZLCIPHAT-JTQLQIEISA-N	1	3	186.299	0.465	40	30		ACEBHO
C=CC[NH2+]C[C@@H](O)CN(CC)CC	1681462	166188713	/nfs/dbraw/zinc/18/87/13/166188713.db2.gz	KMPRAIZLCIPHAT-SNVBAGLBSA-N	1	3	186.299	0.465	40	30		ACEBHO
N#CCCNCCCC[NH3+]	2382817	171005340	/nfs/dbraw/zinc/00/53/40/171005340.db2.gz	WLCNZYVOUPOLHO-UHFFFAOYSA-N	1	3	141.218	0.229	40	30		ACEBHO
N#CCCCC[N@@H+]1CCCNCC1	37399815	171063972	/nfs/dbraw/zinc/06/39/72/171063972.db2.gz	LWSCLJDSPHGZIH-UHFFFAOYSA-N	1	3	181.283	0.976	40	30		ACEBHO
N#CCCCC[N@H+]1CCCNCC1	37399815	171063975	/nfs/dbraw/zinc/06/39/75/171063975.db2.gz	LWSCLJDSPHGZIH-UHFFFAOYSA-N	1	3	181.283	0.976	40	30		ACEBHO
CCCNC(=N)C(=[NH2+])NCCC	1716286	171162764	/nfs/dbraw/zinc/16/27/64/171162764.db2.gz	KVRBNJCIHZLINA-UHFFFAOYSA-N	1	3	170.260	0.730	40	30		ACEBHO
C[C@@H]1C[NH+]=C(NCCN)S1	33674002	351431401	/nfs/dbraw/zinc/43/14/01/351431401.db2.gz	YZGKHVLLANMHFI-RXMQYKEDSA-N	1	3	159.258	0.026	40	30		ACEBHO