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+]CC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1	ZINC000040505060	213326174	/nfs/dbraw/zinc/32/61/74/213326174.db2.gz	SIBDDQUAJLKKAZ-GOSISDBHSA-N	1	3	337.467	3.200	1	0		EGAFHO
CC[NH+](CC)CCNc1[nH+]cc(C)c2c1c1cc([O-])ccc1n2C	ZINC000005139320	210399082	/nfs/dbraw/zinc/39/90/82/210399082.db2.gz	FLZIXNNVAJKPIW-UHFFFAOYSA-N	1	3	326.444	3.494	1	0		EGAFHO
CC[NH2+]CCC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1	ZINC000028219506	202166443	/nfs/dbraw/zinc/16/64/43/202166443.db2.gz	OUDBMSSDLYKRDA-GOSISDBHSA-N	1	3	337.467	3.202	1	0		EGAFHO
COc1ccc(CN(CCCC[NH3+])Cc2ccccc2)cc1OC	ZINC000027656588	202159170	/nfs/dbraw/zinc/15/91/70/202159170.db2.gz	PHXWUXRWITXEAP-UHFFFAOYSA-N	1	3	328.456	3.445	1	0		EGAFHO
CCC(=O)N(CCCCC[NH3+])C1CCN(CCc2ccccc2)CC1	ZINC000066112134	215014768	/nfs/dbraw/zinc/01/47/68/215014768.db2.gz	TXMQTAANMVWBQC-UHFFFAOYSA-N	1	3	345.531	3.061	1	0		EGAFHO
CC(C)[NH2+]CC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1	ZINC000040505063	213326236	/nfs/dbraw/zinc/32/62/36/213326236.db2.gz	SIBDDQUAJLKKAZ-SFHVURJKSA-N	1	3	337.467	3.200	1	0		EGAFHO
CCCCN(Cc1cccc2ccccc21)C(=O)[C@@H](N)CCCC[NH3+]	ZINC000103256886	219276015	/nfs/dbraw/zinc/27/60/15/219276015.db2.gz	UPBGFUMVRYCOBB-FQEVSTJZSA-N	1	3	341.499	3.425	1	0		EGAFHO
N=C(N)c1ccc(-c2ccc(-c3ccc(C(N)=[NH2+])s3)s2)cn1	ZINC000066166510	215019161	/nfs/dbraw/zinc/01/91/61/215019161.db2.gz	QKNITNIIAGVQBB-UHFFFAOYSA-N	1	3	327.438	3.107	1	0		EGAFHO
[NH3+]C[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1	ZINC000053226518	214170955	/nfs/dbraw/zinc/17/09/55/214170955.db2.gz	DKLZDESNIPBBLL-MRXNPFEDSA-N	1	3	328.481	3.139	1	0		EGAFHO