smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1Cc2c(O)cccc2[C@@H](c2ccccc2)C1	ZINC000095563112	173199848	/nfs/dbraw/zinc/19/98/48/173199848.db2.gz	AUOGWJKRNSZLMZ-CQSZACIVSA-N	1	0	239.318	2.970	1	10		BFCFRO
Oc1c(C[NH+]2CCCC2)ccc2cccnc21	ZINC000001653587	183253508	/nfs/dbraw/zinc/25/35/08/183253508.db2.gz	XEUNNZKWRRZAIL-UHFFFAOYSA-N	1	0	228.295	2.536	1	10		BFCFRO
CCC[NH+](CCC)[C@H]1Cc2ccc(O)c(O)c2C1	ZINC000029225534	169152618	/nfs/dbraw/zinc/15/26/18/169152618.db2.gz	DWGALIIZDRLNSM-LBPRGKRZSA-N	1	0	249.354	2.687	1	10		BFCFRO
CCC[NH+](CCC)C1Cc2cc(O)c(O)cc2C1	ZINC000029227050	169147236	/nfs/dbraw/zinc/14/72/36/169147236.db2.gz	DMICYLPRQALHCV-UHFFFAOYSA-N	1	0	249.354	2.687	1	10		BFCFRO
CCC[NH2+]C[C@H]1CCCc2cc(O)c(O)cc21	ZINC000027893977	169264447	/nfs/dbraw/zinc/26/44/47/169264447.db2.gz	IRJVZEQFDLBQSJ-LLVKDONJSA-N	1	0	235.327	2.517	1	10		BFCFRO
C[N@H+]1Cc2c(O)cccc2[C@H](c2ccccc2)C1	ZINC000095563111	173199879	/nfs/dbraw/zinc/19/98/79/173199879.db2.gz	AUOGWJKRNSZLMZ-AWEZNQCLSA-N	1	0	239.318	2.970	1	10		BFCFRO
CCC[NH2+]C[C@@H]1CCCc2cc(O)c(O)cc21	ZINC000027893972	169262108	/nfs/dbraw/zinc/26/21/08/169262108.db2.gz	IRJVZEQFDLBQSJ-NSHDSACASA-N	1	0	235.327	2.517	1	10		BFCFRO
CC(C)[N@H+](C)C[C@H]1CCCc2cc(O)c(O)cc21	ZINC000027870501	188110246	/nfs/dbraw/zinc/11/02/46/188110246.db2.gz	TYCIMICTULFILN-GFCCVEGCSA-N	1	0	249.354	2.858	1	10		BFCFRO
CCC[NH+](CCC)[C@@H]1Cc2ccc(O)c(O)c2C1	ZINC000029225528	169151375	/nfs/dbraw/zinc/15/13/75/169151375.db2.gz	DWGALIIZDRLNSM-GFCCVEGCSA-N	1	0	249.354	2.687	1	10		BFCFRO
COc1cccc2c1-c1ccccc1C2[N+]#N	ZINC000040568103	175300686	/nfs/dbraw/zinc/30/06/86/175300686.db2.gz	YSYIHVPDKPLKOD-UHFFFAOYSA-N	1	0	222.247	2.743	1	10		BFCFRO
COc1cccc2c1C([N+]#N)c1ccccc1-2	ZINC000034406530	175301066	/nfs/dbraw/zinc/30/10/66/175301066.db2.gz	SICLYKQNZBCAJS-UHFFFAOYSA-N	1	0	222.247	2.743	1	10		BFCFRO
N#[N+]C1=C2C=CCC=C2c2c1cccc2[N+](=O)[O-]	ZINC000040575471	183317282	/nfs/dbraw/zinc/31/72/82/183317282.db2.gz	GCIQBDVMOJRMMR-UHFFFAOYSA-N	1	0	237.218	2.642	1	10		BFCFRO