smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCN(C)[C@H]1[C@@H](C[NH2+]C2CCCCC2)O[C@@H](CO)[C@H]1O	ZINC000020464992	212135166	/nfs/dbraw/zinc/13/51/66/212135166.db2.gz	DECHHGFZWZPRNZ-LTIDMASMSA-N	1	3	329.485	-0.109	40	0	biogenic,in-vitro	EBABHO
N[C@@H](CCCC[NH3+])C(=O)N1C[C@H](O)[C@H](Cc2cn3ccnc3cn2)C1	ZINC000257287563	379196251	/nfs/dbraw/zinc/19/62/51/379196251.db2.gz	PQMBULLDTOMXPA-SNPRPXQTSA-N	1	3	346.435	-0.453	40	0		EBABHO
N[C@@H](CCCC[NH3+])C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1	ZINC000585286346	376522664	/nfs/dbraw/zinc/52/26/64/376522664.db2.gz	WOHSHWWCRIWXNX-OFQRWUPVSA-N	1	3	334.420	-0.185	40	0		EBABHO
CN1c2ccccc2[C@@]2(NC(=N)NC(N3CCN(C)CC3)=[NH+]2)C1=O	ZINC000019330879	419200117	/nfs/dbraw/zinc/20/01/17/419200117.db2.gz	OPMOVIMJCINRAP-INIZCTEOSA-N	1	3	327.392	-0.663	40	0		EBABHO
CN1c2ccccc2[C@]2(N=C(N3CCN(C)CC3)NC(=[NH2+])N2)C1=O	ZINC000019330879	419200121	/nfs/dbraw/zinc/20/01/21/419200121.db2.gz	OPMOVIMJCINRAP-INIZCTEOSA-N	1	3	327.392	-0.663	40	0		EBABHO
N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H](O)[C@@H](Cc2cn3ccnc3cn2)C1	ZINC000257287561	379195461	/nfs/dbraw/zinc/19/54/61/379195461.db2.gz	PQMBULLDTOMXPA-AEGPPILISA-N	1	3	346.435	-0.453	40	0		EBABHO
CC1CCN([C@H]2[C@@H](C[NH2+]C3CCN(C)CC3)O[C@@H](CO)[C@H]2O)CC1	ZINC000020466024	212135069	/nfs/dbraw/zinc/13/50/69/212135069.db2.gz	HPLOXQRGGRGMDB-VSZNYVQBSA-N	1	3	341.496	-0.109	40	0	biogenic,in-vitro	EBABHO
N[C@H](CCCC[NH3+])C(=O)N1C[C@@H](O)[C@@H](Cc2cn3ccnc3cn2)C1	ZINC000257287562	379194973	/nfs/dbraw/zinc/19/49/73/379194973.db2.gz	PQMBULLDTOMXPA-NWANDNLSSA-N	1	3	346.435	-0.453	40	0		EBABHO
Cn1cc(CN2CCC(C[N@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cn1	ZINC000585290993	376525169	/nfs/dbraw/zinc/52/51/69/376525169.db2.gz	KAFJTBWAMRQSNI-ZACQAIPSSA-N	1	3	338.452	-0.316	40	0		EBABHO
Cn1cc(CN2CCC(C[N@@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cn1	ZINC000585290993	376525177	/nfs/dbraw/zinc/52/51/77/376525177.db2.gz	KAFJTBWAMRQSNI-ZACQAIPSSA-N	1	3	338.452	-0.316	40	0		EBABHO
CN(CCC(=O)N1CC[N@H+](C)C[C@H](C(N)=O)C1)Cc1ccccn1	ZINC000257329957	419303908	/nfs/dbraw/zinc/30/39/08/419303908.db2.gz	XMEYBDZLKZQOMP-AWEZNQCLSA-N	1	3	333.436	-0.221	40	0		EBABHO
CN(CCC(=O)N1CC[N@@H+](C)C[C@H](C(N)=O)C1)Cc1ccccn1	ZINC000257329957	419303911	/nfs/dbraw/zinc/30/39/11/419303911.db2.gz	XMEYBDZLKZQOMP-AWEZNQCLSA-N	1	3	333.436	-0.221	40	0		EBABHO
CN(CCC(=O)N1CC[N@H+](C)C[C@@H](C(N)=O)C1)Cc1ccccn1	ZINC000257329958	419303979	/nfs/dbraw/zinc/30/39/79/419303979.db2.gz	XMEYBDZLKZQOMP-CQSZACIVSA-N	1	3	333.436	-0.221	40	0		EBABHO
CN(CCC(=O)N1CC[N@@H+](C)C[C@@H](C(N)=O)C1)Cc1ccccn1	ZINC000257329958	419303980	/nfs/dbraw/zinc/30/39/80/419303980.db2.gz	XMEYBDZLKZQOMP-CQSZACIVSA-N	1	3	333.436	-0.221	40	0		EBABHO
N[C@H](CCCC[NH3+])C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1	ZINC000585286337	376521178	/nfs/dbraw/zinc/52/11/78/376521178.db2.gz	WOHSHWWCRIWXNX-IJEWVQPXSA-N	1	3	334.420	-0.185	40	0		EBABHO
CN1c2ccccc2[C@]2(NC(=N)NC(N3CCN(C)CC3)=[NH+]2)C1=O	ZINC000019330875	277219113	/nfs/dbraw/zinc/21/91/13/277219113.db2.gz	OPMOVIMJCINRAP-MRXNPFEDSA-N	1	3	327.392	-0.663	40	0		EBABHO
CN1c2ccccc2[C@@]2(N=C(N3CCN(C)CC3)NC(=[NH2+])N2)C1=O	ZINC000019330875	277219115	/nfs/dbraw/zinc/21/91/15/277219115.db2.gz	OPMOVIMJCINRAP-MRXNPFEDSA-N	1	3	327.392	-0.663	40	0		EBABHO
CN1CCC([NH2+]C[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCCCC2)CC1	ZINC000020465724	212134718	/nfs/dbraw/zinc/13/47/18/212134718.db2.gz	OFDBWLLAPGEVQY-LTIDMASMSA-N	1	3	327.469	-0.355	40	0	biogenic,in-vitro	EBABHO
C[NH+]1CCC(NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCCCC2)CC1	ZINC000020465724	212134720	/nfs/dbraw/zinc/13/47/20/212134720.db2.gz	OFDBWLLAPGEVQY-LTIDMASMSA-N	1	3	327.469	-0.355	40	0	biogenic,in-vitro	EBABHO
CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCNCC3)[C@@H](O)[C@H]2O1	ZINC000225513361	420934486	/nfs/dbraw/zinc/93/44/86/420934486.db2.gz	JJSJRQDQWBUUQF-SZVRAQGESA-N	1	3	341.452	-0.472	40	0	biogenic,in-vitro	EBABHO