smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[NH2+]CCC[N+](C)(C)C	55441213	572779590	/nfs/dbraw/zinc/77/95/90/572779590.db2.gz	IQIRFIODDJPDOK-UHFFFAOYSA-N	2	0	159.297	1.081	10	5		ADBERP
CC(C)=CC[N+]12CCN(CC1)CC2	59383586	572969374	/nfs/dbraw/zinc/96/93/74/572969374.db2.gz	RNLGCBCEHVWPAF-UHFFFAOYSA-N	2	0	181.303	1.099	10	5		ADBERP
CC(C)([NH3+])C[N+]1(C)CCCCC1	118616726	573415994	/nfs/dbraw/zinc/41/59/94/573415994.db2.gz	CKSLQXFCDQYJKU-UHFFFAOYSA-N	2	0	171.308	1.354	10	5		ADBERP
C[N+](C)(C)CCC[n+]1ccccc1	5764622	168692165	/nfs/dbraw/zinc/69/21/65/168692165.db2.gz	VPIAARVDOCGUCZ-UHFFFAOYSA-N	2	0	180.295	1.070	10	5		ADBERP
C/C(=C/C[N+](C)(C)C)C[N+](C)(C)C	1866910	717090549	/nfs/dbraw/zinc/09/05/49/717090549.db2.gz	VRRSHHAUEPCBKK-FLIBITNWSA-N	2	0	186.343	1.345	10	5		ADBERP
CC(=[NH2+])N[N+](C)(C)Cc1ccccc1	39274498	717126547	/nfs/dbraw/zinc/12/65/47/717126547.db2.gz	TXYKEZYOASXLKM-UHFFFAOYSA-N	2	0	192.286	1.765	10	5		ADBERP
C[N+]1(C)CC=C([NH+]2CCCCC2)CC1	101111257	717144625	/nfs/dbraw/zinc/14/46/25/717144625.db2.gz	AYEMZWRGUYTFPS-UHFFFAOYSA-N	2	0	195.330	1.836	10	5		ADBERP
CC(C)([NH3+])CCC[N+](C)(C)C	144761593	717152973	/nfs/dbraw/zinc/15/29/73/717152973.db2.gz	FRGMZXSQNQIMCA-UHFFFAOYSA-N	2	0	159.297	1.210	10	5		ADBERP