smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000180141907	329217898	/nfs/dbraw/zinc/21/78/98/329217898.db2.gz	PQLUOSOQHOMLRS-BPIHKTFHSA-N	2	0	284.447	3.736	10	30		CHEERP
CCCCCCCCCCCC[NH2+]C[C@H]([NH3+])CCC[NH3+]	ZINC000043335163	175011157	/nfs/dbraw/zinc/01/11/57/175011157.db2.gz	JMXMGHOAUTYHNZ-QGZVFWFLSA-N	3	0	285.520	3.563	10	30		CHEERP
CCCCCCCCCCCC[NH2+]C[C@@H]([NH3+])CCC[NH3+]	ZINC000043335165	175011024	/nfs/dbraw/zinc/01/10/24/175011024.db2.gz	JMXMGHOAUTYHNZ-KRWDZBQOSA-N	3	0	285.520	3.563	10	30		CHEERP
C=C(C)C[N@@H+](CC)Cc1ccccc1C[NH2+]C(C)C	ZINC000052423581	518600500	/nfs/dbraw/zinc/60/05/00/518600500.db2.gz	VINZAOXEGJTCTO-UHFFFAOYSA-N	2	0	260.425	3.583	10	30		CHEERP
C=C(C)C[N@@H+](CC)Cc1ccc(C[NH2+]CCC)cc1	ZINC000052423515	518598620	/nfs/dbraw/zinc/59/86/20/518598620.db2.gz	JYOONPKWLHMFCF-UHFFFAOYSA-N	2	0	260.425	3.584	10	30		CHEERP
CCCCCCC[NH2+]C[C@H](C)C[NH+]1CCCCC1	ZINC000103108827	185808017	/nfs/dbraw/zinc/80/80/17/185808017.db2.gz	OQBPTAMXKVPNAS-INIZCTEOSA-N	2	0	254.462	3.668	10	30		CHEERP
CCCCCCC[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1	ZINC000104139128	185908852	/nfs/dbraw/zinc/90/88/52/185908852.db2.gz	YSMLRDGPJVRDLK-HUUCEWRRSA-N	2	0	254.462	3.795	10	30		CHEERP
C=C(C)C[N@@H+](CC)Cc1occc1C[NH2+]C(C)(C)C	ZINC000052423304	518600132	/nfs/dbraw/zinc/60/01/32/518600132.db2.gz	UBOQCVGEKJKTDQ-UHFFFAOYSA-N	2	0	264.413	3.566	10	30		CHEERP
CCCCCCCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000104149167	185911502	/nfs/dbraw/zinc/91/15/02/185911502.db2.gz	LDNYHKPCDKKAEM-KRWDZBQOSA-N	2	0	266.473	3.811	10	30		CHEERP
C=CC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000180141892	329217916	/nfs/dbraw/zinc/21/79/16/329217916.db2.gz	PQLUOSOQHOMLRS-UXDRXVOSSA-N	2	0	284.447	3.736	10	30		CHEERP