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@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1ccccc1F	ZINC000180671527	337177014	/nfs/dbraw/zinc/17/70/14/337177014.db2.gz	LBXVJJPETSNCIO-YWZLYKJASA-N	2	0	323.415	4.813	10	0		DJAERP
CC[C@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)c1ccccc1F	ZINC000180671563	337177182	/nfs/dbraw/zinc/17/71/82/337177182.db2.gz	LBXVJJPETSNCIO-QRWLVFNGSA-N	2	0	323.415	4.813	10	0		DJAERP
CC[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1ccccc1F	ZINC000180671548	337177127	/nfs/dbraw/zinc/17/71/27/337177127.db2.gz	LBXVJJPETSNCIO-MGPUTAFESA-N	2	0	323.415	4.813	10	0		DJAERP
CCCC[C@@](C=C=C(C)C)(CC)C[NH+]1CCC(CC[NH3+])CC1	ZINC000584636776	337379337	/nfs/dbraw/zinc/37/93/37/337379337.db2.gz	BDOFBBMKTGTZIZ-HXUWFJFHSA-N	2	0	306.538	4.755	10	0		DJAERP
CCC(=[NH2+])C(C[C@@H](C)[NH+](C)C)(c1ccccc1)c1ccccc1	ZINC000031623472	563440452	/nfs/dbraw/zinc/44/04/52/563440452.db2.gz	IYMWICAKQRYMNI-QGZVFWFLSA-N	2	0	308.469	4.743	10	0	in-vitro	DJAERP
c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]CCC2=CCCCC2)C3)cc1	ZINC000390854203	333399904	/nfs/dbraw/zinc/39/99/04/333399904.db2.gz	JQJMBHDHNOZSPR-FRIKZZABSA-N	2	0	324.512	4.662	10	0		DJAERP
CC[C@@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)c1ccccc1F	ZINC000180671584	337177024	/nfs/dbraw/zinc/17/70/24/337177024.db2.gz	LBXVJJPETSNCIO-FOIQADDNSA-N	2	0	323.415	4.813	10	0		DJAERP
CCCC[C@](C=C=C(C)C)(CC)C[NH+]1CCC(CC[NH3+])CC1	ZINC000584636775	337379372	/nfs/dbraw/zinc/37/93/72/337379372.db2.gz	BDOFBBMKTGTZIZ-FQEVSTJZSA-N	2	0	306.538	4.755	10	0		DJAERP
C[NH2+]CCCC[NH2+]C1(c2cc3ccccc3s2)CCCCC1	ZINC000013732147	181885868	/nfs/dbraw/zinc/88/58/68/181885868.db2.gz	UWZJSCZAWUPCMJ-UHFFFAOYSA-N	2	0	316.514	4.650	10	0		DJAERP
CCC(=[NH2+])C(C[C@H](C)[NH+](C)C)(c1ccccc1)c1ccccc1	ZINC000031623473	563440578	/nfs/dbraw/zinc/44/05/78/563440578.db2.gz	IYMWICAKQRYMNI-KRWDZBQOSA-N	2	0	308.469	4.743	10	0	in-vitro	DJAERP