smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCNC(=O)c1ccc(C(=O)NCC[NH+](C)C)c2c1C(=O)c1ccccc1C2=O	ZINC000027201278	563040609	/nfs/dbraw/zinc/04/06/09/563040609.db2.gz	SXSXWPDVUAFAFH-UHFFFAOYSA-N	2	2	436.512	1.045	1	10		IDCFLP
COc1cc(OC)c2c(c1)C(=O)c1cc(C[NH2+]CCC[NH2+]CCC[NH3+])cc(OC)c1C2=O	ZINC000096932561	563198881	/nfs/dbraw/zinc/19/88/81/563198881.db2.gz	WDPWTBUMDUYJCF-UHFFFAOYSA-N	3	2	441.528	1.906	1	10		IDCFLP
C[NH+](CCO)CCNc1ccc(NCC[N@H+](C)CCO)c2c1C(=O)c1ccccc1C2=O	ZINC000029486172	563081416	/nfs/dbraw/zinc/08/14/16/563081416.db2.gz	BIXABEKDSLDELA-UHFFFAOYSA-N	2	2	440.544	1.134	1	10		IDCFLP
C[NH+](CCO)CCNc1ccc(NCC[N@@H+](C)CCO)c2c1C(=O)c1ccccc1C2=O	ZINC000029486172	563081417	/nfs/dbraw/zinc/08/14/17/563081417.db2.gz	BIXABEKDSLDELA-UHFFFAOYSA-N	2	2	440.544	1.134	1	10		IDCFLP
[NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447204	563153146	/nfs/dbraw/zinc/15/31/46/563153146.db2.gz	QCYSGBGFJPSNQB-LJQANCHMSA-N	2	2	427.464	1.622	1	10		IDCFLP
C[NH+](C)CCNc1ccc(NCC[N@H+](C)CCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000029547183	563081723	/nfs/dbraw/zinc/08/17/23/563081723.db2.gz	PZFIYRMLBPJIHG-UHFFFAOYSA-N	2	2	442.516	1.183	1	10		IDCFLP
C[NH+](C)CCNc1ccc(NCC[N@@H+](C)CCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000029547183	563081725	/nfs/dbraw/zinc/08/17/25/563081725.db2.gz	PZFIYRMLBPJIHG-UHFFFAOYSA-N	2	2	442.516	1.183	1	10		IDCFLP
[NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447205	563153245	/nfs/dbraw/zinc/15/32/45/563153245.db2.gz	QCYSGBGFJPSNQB-IBGZPJMESA-N	2	2	427.464	1.622	1	10		IDCFLP