smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@@H]1C=C[C@](C[NH3+])(OC)O1	5210210	168206099	/nfs/dbraw/zinc/20/60/99/168206099.db2.gz	JSTZGHLHHVUXOT-BQBZGAKWSA-N	1	0	159.185	-0.153	50	10	in-vitro	ABCARO
CO[C@@H]1C=C[C@@](C[NH3+])(OC)O1	5210208	168206293	/nfs/dbraw/zinc/20/62/93/168206293.db2.gz	JSTZGHLHHVUXOT-NKWVEPMBSA-N	1	0	159.185	-0.153	50	10	in-vitro	ABCARO
CO[C@H]1C=C[C@@](C[NH3+])(OC)O1	5210233	168215226	/nfs/dbraw/zinc/21/52/26/168215226.db2.gz	JSTZGHLHHVUXOT-RNFRBKRXSA-N	1	0	159.185	-0.153	50	10	in-vitro	ABCARO
CO[C@H]1C=C[C@](C[NH3+])(OC)O1	5210234	168215416	/nfs/dbraw/zinc/21/54/16/168215416.db2.gz	JSTZGHLHHVUXOT-RQJHMYQMSA-N	1	0	159.185	-0.153	50	10	in-vitro	ABCARO
[NH3+]CCN1C(=O)CSC1=S	31934957	169187280	/nfs/dbraw/zinc/18/72/80/169187280.db2.gz	OMLLMPUDJZGIPU-UHFFFAOYSA-N	1	0	176.266	-0.195	50	10		ABCARO
N#[N+]CC(=O)CC[C@H]([NH3+])C(=O)[O-]	3953825	171010866	/nfs/dbraw/zinc/01/08/66/171010866.db2.gz	YCWQAMGASJSUIP-YFKPBYRVSA-N	1	0	171.156	-0.952	50	10	in-vitro	ABCARO
N#[N+][N-]S(=O)(=O)CC[NH3+]	38292458	351480321	/nfs/dbraw/zinc/48/03/21/351480321.db2.gz	QJDQHBZBKSPGOW-UHFFFAOYSA-N	1	0	150.163	-0.415	50	10		ABCARO
N#[N+]CC(=O)c1cnccn1	3882905	534974934	/nfs/dbraw/zinc/97/49/34/534974934.db2.gz	HJRTZAGBNMTNSO-UHFFFAOYSA-N	1	0	148.125	-0.040	50	10		ABCARO
CCOC(=O)C([O-])=C[N+]#N	82053054	537875586	/nfs/dbraw/zinc/87/55/86/537875586.db2.gz	JFADAFQNHSDFKQ-UHFFFAOYSA-N	1	0	142.114	-0.581	50	10		ABCARO
CCOC(=O)C[N+]#N	4521365	571823226	/nfs/dbraw/zinc/82/32/26/571823226.db2.gz	YVPJCJLMRRTDMQ-UHFFFAOYSA-N	1	0	114.104	-0.150	50	10		ABCARO