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)NC(=[NH2+])c1ccc(-c2ccc(-c3nc4ccc(C(=[NH2+])NC(C)C)cc4[nH]3)o2)cc1	ZINC000027301157	563041187	/nfs/dbraw/zinc/04/11/87/563041187.db2.gz	DQVBVVUZUSBLHW-UHFFFAOYSA-N	2	1	428.540	4.717	1	30		IJEFMP
Cc1cccc(C(=O)Nc2cc[nH+]c(N3CCC([N@H+](C)Cc4cccc(C#N)c4)CC3)c2)c1	ZINC000045338341	563131767	/nfs/dbraw/zinc/13/17/67/563131767.db2.gz	JBAGXWFIUXGVTL-UHFFFAOYSA-N	2	1	439.563	4.615	1	30		IJEFMP
Cc1cccc(C(=O)Nc2cc[nH+]c(N3CCC([N@@H+](C)Cc4cccc(C#N)c4)CC3)c2)c1	ZINC000045338341	563131768	/nfs/dbraw/zinc/13/17/68/563131768.db2.gz	JBAGXWFIUXGVTL-UHFFFAOYSA-N	2	1	439.563	4.615	1	30		IJEFMP
Cc1cccc(C(=O)Nc2cc[nH+]c(N3CCC([N@H+](C)Cc4ccc(C#N)cc4)CC3)c2)c1	ZINC000045193199	563123935	/nfs/dbraw/zinc/12/39/35/563123935.db2.gz	BWVWRXARHRZKEI-UHFFFAOYSA-N	2	1	439.563	4.615	1	30		IJEFMP
Cc1cccc(C(=O)Nc2cc[nH+]c(N3CCC([N@@H+](C)Cc4ccc(C#N)cc4)CC3)c2)c1	ZINC000045193199	563123937	/nfs/dbraw/zinc/12/39/37/563123937.db2.gz	BWVWRXARHRZKEI-UHFFFAOYSA-N	2	1	439.563	4.615	1	30		IJEFMP
CCCCCCCCCCCCC[C@@H]1CC(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH2+]1	ZINC000014141377	563014334	/nfs/dbraw/zinc/01/43/34/563014334.db2.gz	BIJLNPCGAYTFAD-RUZDIDTESA-N	3	1	438.745	4.905	1	30		IJEFMP
Cc1c2cc[nH]c2ccc1Nc1c(C#N)cncc1/C=C/CC[NH+]1CCC([NH+](C)C)CC1	ZINC000045358092	563132830	/nfs/dbraw/zinc/13/28/30/563132830.db2.gz	CLAXUCQFRATVEQ-GQCTYLIASA-N	2	1	428.584	4.916	1	30		IJEFMP
C#CC[N@H+](C)Cc1cc2cc(OCCC3CC[NH+](Cc4ccccc4)CC3)ccc2n1C	ZINC000072316997	563168467	/nfs/dbraw/zinc/16/84/67/563168467.db2.gz	MDLQDZAGZXYYJT-UHFFFAOYSA-N	2	1	429.608	4.924	1	30		IJEFMP
CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1	ZINC000028564760	563057858	/nfs/dbraw/zinc/05/78/58/563057858.db2.gz	AQUDJFYMRIDORP-KAYWLYCHSA-N	2	1	427.592	4.648	1	30		IJEFMP
CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1	ZINC000028564760	563057859	/nfs/dbraw/zinc/05/78/59/563057859.db2.gz	AQUDJFYMRIDORP-KAYWLYCHSA-N	2	1	427.592	4.648	1	30		IJEFMP
CCCCCCCCCCCCC[C@H]1CC(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH2+]1	ZINC000014141379	291389152	/nfs/dbraw/zinc/38/91/52/291389152.db2.gz	BIJLNPCGAYTFAD-VWLOTQADSA-N	3	1	438.745	4.905	1	30	biogenic,in-vitro	IJEFMP