smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(Cn2cc[nH+]c2-c2ccc(O)c(C[NH+](C)C)c2)cn1	ZINC000071498707	402274848	/nfs/dbraw/zinc/27/48/48/402274848.db2.gz	GTYZXYWZHDBJGA-UHFFFAOYSA-N	2	2	311.389	2.099	50	10		DECALP
Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccc(N2CC[NH+](C)CC2)cc1	ZINC000071825371	402283394	/nfs/dbraw/zinc/28/33/94/402283394.db2.gz	MKQVMGRMYKPHTB-AWEZNQCLSA-N	2	2	313.449	2.321	50	10		DECALP
C[N@H+](Cc1cc(-c2cnccn2)ccc1O)C1CC[NH+](C)CC1	ZINC000011966485	401778206	/nfs/dbraw/zinc/77/82/06/401778206.db2.gz	ANEYCWKPGQWXCZ-UHFFFAOYSA-N	2	2	312.417	2.375	50	10		DECALP
C[N@@H+](Cc1cc(-c2cnccn2)ccc1O)C1CC[NH+](C)CC1	ZINC000011966485	401778207	/nfs/dbraw/zinc/77/82/07/401778207.db2.gz	ANEYCWKPGQWXCZ-UHFFFAOYSA-N	2	2	312.417	2.375	50	10		DECALP
CCc1c(C)[nH+]c(N)nc1NCCSCc1[nH]c[nH+]c1C	ZINC000095363744	402028497	/nfs/dbraw/zinc/02/84/97/402028497.db2.gz	ZGHXSOHEJFQFMV-UHFFFAOYSA-N	2	2	306.439	2.306	50	10		DECALP
C[NH+](C)Cc1cc(-c2[nH+]ccn2C[C@@H]2CCCO2)ccc1O	ZINC000082170913	185174388	/nfs/dbraw/zinc/17/43/88/185174388.db2.gz	OJPAOBHWMWWESM-HNNXBMFYSA-N	2	2	301.390	2.496	50	10		DECALP
C[NH+](C)Cc1cc(-c2[nH+]ccn2CCn2cccn2)ccc1O	ZINC000071752544	191023521	/nfs/dbraw/zinc/02/35/21/191023521.db2.gz	OVKVNDKBLWGPOE-UHFFFAOYSA-N	2	2	311.389	2.214	50	10		DECALP
CN(C)c1ccc(C[NH2+]CC[NH2+][C@H]2CCOC(C)(C)C2)cc1	ZINC000020676664	182242678	/nfs/dbraw/zinc/24/26/78/182242678.db2.gz	WPIQFWRPJWBNMR-INIZCTEOSA-N	2	2	305.466	2.389	50	10		DECALP
CN(C)c1ccc(C[NH2+]CC[NH2+][C@@H]2CCOC(C)(C)C2)cc1	ZINC000020676659	182242760	/nfs/dbraw/zinc/24/27/60/182242760.db2.gz	WPIQFWRPJWBNMR-MRXNPFEDSA-N	2	2	305.466	2.389	50	10		DECALP
Cc1[nH]ncc1C[NH2+][C@H](C)c1ccc(N2CC[NH+](C)CC2)cc1	ZINC000071825372	402283552	/nfs/dbraw/zinc/28/35/52/402283552.db2.gz	MKQVMGRMYKPHTB-CQSZACIVSA-N	2	2	313.449	2.321	50	10		DECALP
c1cn(-c2ncccc2C[NH2+]Cc2ccc3c(c2)CCO3)c[nH+]1	ZINC000048234823	424831043	/nfs/dbraw/zinc/83/10/43/424831043.db2.gz	QJKDMLSZNJOVRI-UHFFFAOYSA-N	2	2	306.369	2.492	50	10		DECALP