smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2[nH]c(CCNC(=O)c3ccc(C[NH+]4CCC(C)CC4)o3)nc21	ZINC000217140994	570312873	/nfs/dbraw/zinc/31/28/73/570312873.db2.gz	ZRXNNONDILWVLS-UHFFFAOYSA-N	1	0	380.492	3.669	50	70		GHIARO
COc1ccc(CCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1OC	ZINC000217021319	570311558	/nfs/dbraw/zinc/31/15/58/570311558.db2.gz	IYLDNEQWMLQFES-UHFFFAOYSA-N	1	0	398.503	3.748	50	70		GHIARO
CC[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1c(C)cc(C)cc1-n1cccn1)C2	ZINC000218701709	570339295	/nfs/dbraw/zinc/33/92/95/570339295.db2.gz	SOSOWNUXFPIAIW-QFIPXVFZSA-N	1	0	379.508	3.535	50	70		GHIARO
CC[NH+](CC)Cc1cc(C(=O)N(C)Cc2cnn(C)c2)c(-c2ccccc2)o1	ZINC000217466846	570316659	/nfs/dbraw/zinc/31/66/59/570316659.db2.gz	GKBFVMDNLZBQRT-UHFFFAOYSA-N	1	0	380.492	3.794	50	70		GHIARO
Cc1cc(-c2cc(C(=O)N3CC[C@@H]([NH3+])C3)c3cnn(C(C)C)c3n2)c(C)s1	ZINC000160244722	209110682	/nfs/dbraw/zinc/11/06/82/209110682.db2.gz	LNHYFQWUGPAIMC-CQSZACIVSA-N	1	0	383.521	3.531	50	70		GHIARO
O=c1occ(C[NH+]2CCCCC2)c([O-])c1C[N@H+]1CC=C(c2ccc(F)cc2)CC1	ZINC000218326153	570331262	/nfs/dbraw/zinc/33/12/62/570331262.db2.gz	QXRZEHXLAWTAJC-UHFFFAOYSA-N	1	0	398.478	3.760	50	70		GHIARO
O=C(CCCCCN1Cc2ccccc2C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217753740	208830322	/nfs/dbraw/zinc/83/03/22/208830322.db2.gz	ZVWGEWSJVWZVRZ-SIKLNZKXSA-N	1	0	397.563	3.584	50	70	biogenic	GHIARO
CC[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1c(C)cc(C)cc1-n1cccn1)C2	ZINC000218701618	570339397	/nfs/dbraw/zinc/33/93/97/570339397.db2.gz	SOSOWNUXFPIAIW-JOCHJYFZSA-N	1	0	379.508	3.535	50	70		GHIARO
O=C(c1ccccc1-c1ccccc1)N1CCC(CO)(C[NH+]2CCCC2)CC1	ZINC000218008521	570323764	/nfs/dbraw/zinc/32/37/64/570323764.db2.gz	HEULTHXPNZKWTB-UHFFFAOYSA-N	1	0	378.516	3.664	50	70		GHIARO
Cc1cncnc1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1	ZINC000217114731	570312936	/nfs/dbraw/zinc/31/29/36/570312936.db2.gz	AIFJQZRFYCOLLT-OAQYLSRUSA-N	1	0	378.520	3.546	50	70		GHIARO
CC[NH+](CC)Cc1cc(C(=O)N(C)Cc2nnc(C)o2)c(-c2ccccc2)o1	ZINC000217484674	570317062	/nfs/dbraw/zinc/31/70/62/570317062.db2.gz	XBBQXIICZFBHBQ-UHFFFAOYSA-N	1	0	382.464	3.752	50	70		GHIARO
CN(Cc1nccs1)C(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1	ZINC000216996491	570310804	/nfs/dbraw/zinc/31/08/04/570310804.db2.gz	OTAGDCDQBPNXPW-UHFFFAOYSA-N	1	0	377.513	3.974	50	70		GHIARO
Cc1cc(C)n(-c2ccc(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)n1	ZINC000217855544	212113577	/nfs/dbraw/zinc/11/35/77/212113577.db2.gz	GYSXTLVLSXTOSI-JTHBVZDNSA-N	1	0	394.563	3.802	50	70	biogenic	GHIARO
[NH3+]C1CC(c2cc(N3CCC(OCc4ccccc4)CC3)nc(C3CC3)n2)C1	ZINC000218215390	136203722	/nfs/dbraw/zinc/20/37/22/136203722.db2.gz	NQGVYYUMVLXZMS-UHFFFAOYSA-N	1	0	378.520	3.744	50	70		GHIARO
Cc1cncnc1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1	ZINC000217114712	570312844	/nfs/dbraw/zinc/31/28/44/570312844.db2.gz	AIFJQZRFYCOLLT-NRFANRHFSA-N	1	0	378.520	3.546	50	70		GHIARO
O=C(Cc1c(F)ccc(F)c1F)N1C[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2	ZINC000217156541	231030406	/nfs/dbraw/zinc/03/04/06/231030406.db2.gz	CFDQZMLZVQABLK-SJORKVTESA-N	1	0	388.433	3.769	50	70		GHIARO
CC1CC[NH+](Cc2ccccc2CNC(=O)c2cnc(C(F)(F)F)nc2)CC1	ZINC000160053593	570952229	/nfs/dbraw/zinc/95/22/29/570952229.db2.gz	LMPBGBLKICJZSK-UHFFFAOYSA-N	1	0	392.425	3.657	50	70		GHIARO