smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)c(=O)[nH]2)C1	ZINC000012052626	553350592	/nfs/dbraw/zinc/35/05/92/553350592.db2.gz	CLHYESRFUUGURR-JOCHJYFZSA-N	2	1	515.699	2.220	50	0		KEAAMP
CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)c(=O)[nH]2)C1	ZINC000012052630	553350708	/nfs/dbraw/zinc/35/07/08/553350708.db2.gz	CLHYESRFUUGURR-QFIPXVFZSA-N	2	1	515.699	2.220	50	0		KEAAMP
O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCC[NH+]2CCOCC2)C[N@H+](Cc2ccncc2)C1	ZINC000014743436	553519892	/nfs/dbraw/zinc/51/98/92/553519892.db2.gz	WBHJJTCSYUPXCD-IZZNHLLZSA-N	2	1	505.663	2.486	50	0		KEAAMP
O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCC[NH+]2CCOCC2)C[N@@H+](Cc2ccncc2)C1	ZINC000014743436	553519889	/nfs/dbraw/zinc/51/98/89/553519889.db2.gz	WBHJJTCSYUPXCD-IZZNHLLZSA-N	2	1	505.663	2.486	50	0		KEAAMP
CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC[N@@H+](C)CC3)ccc2N2CC[NH2+]CC2)cc1	ZINC000033033532	553892631	/nfs/dbraw/zinc/89/26/31/553892631.db2.gz	FOLKJAHUTFWIOC-UHFFFAOYSA-N	2	1	501.653	2.073	50	0		KEAAMP
CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CC[NH+](CC)CC3)ccc2N2CC[NH2+]CC2)cc1	ZINC000033033534	553892768	/nfs/dbraw/zinc/89/27/68/553892768.db2.gz	BCWIZKXKYLFLNP-UHFFFAOYSA-N	2	1	501.653	2.073	50	0		KEAAMP
CC[NH+]1CCN(C(=O)C2CC[NH+](C3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)CC1	ZINC000034912391	554029545	/nfs/dbraw/zinc/02/95/45/554029545.db2.gz	FKXDXOJJWWMDCG-UHFFFAOYSA-N	2	1	502.656	2.193	50	0		KEAAMP
COc1cc2c(cc1OCCOCC[NH+](C)C)nc(N1CCC[N@@H+](C)CC1)nc2NC1CC[NH+](C)CC1	ZINC000058563818	554364565	/nfs/dbraw/zinc/36/45/65/554364565.db2.gz	AULLUGALUBVBDD-UHFFFAOYSA-N	3	1	515.703	2.243	50	0	in-vitro	KEAAMP
Cn1c(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CC[NH+](Cc2ccccc2)CC1	ZINC000079189630	553667373	/nfs/dbraw/zinc/66/73/73/553667373.db2.gz	YDASJPGPQGHZEP-RPWUZVMVSA-N	2	1	515.658	2.190	50	0	biogenic	KEAAMP
Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CC[NH+](Cc2ccccc2)CC1	ZINC000079189630	553667370	/nfs/dbraw/zinc/66/73/70/553667370.db2.gz	YDASJPGPQGHZEP-RPWUZVMVSA-N	2	1	515.658	2.190	50	0	biogenic	KEAAMP
CC[NH+]1CCN(CCNC(=O)CCC[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN2C(=O)c2cccnc2)[C@@H]34)CC1	ZINC000257184755	1066217262	/nfs/dbraw/zinc/21/72/62/1066217262.db2.gz	IWODZFHXFKHOON-NLFSJDMNSA-N	2	1	510.727	2.321	50	0		KEAAMP
CN1CC[NH+](CCCNC(=O)CCC[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN2C(=O)c2cccnc2)[C@@H]34)CC1	ZINC000257197040	1066218795	/nfs/dbraw/zinc/21/87/95/1066218795.db2.gz	ZIEWIIGUICCALG-NLFSJDMNSA-N	2	1	510.727	2.321	50	0		KEAAMP
CN1CC[NH+](CCCNC(=O)CCC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN2C(=O)c2cccnc2)[C@@H]34)CC1	ZINC000257197040	1066218784	/nfs/dbraw/zinc/21/87/84/1066218784.db2.gz	ZIEWIIGUICCALG-NLFSJDMNSA-N	2	1	510.727	2.321	50	0		KEAAMP
C[NH+]1CCN(CCCNC(=O)CCC[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN2C(=O)c2cccnc2)[C@@H]34)CC1	ZINC000257197040	1066218775	/nfs/dbraw/zinc/21/87/75/1066218775.db2.gz	ZIEWIIGUICCALG-NLFSJDMNSA-N	2	1	510.727	2.321	50	0		KEAAMP