smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H](CCC[NH3+])C(=O)N[C@@H](CCC[NH3+])C(=O)[O-]	ZINC000002561080	181385840	/nfs/dbraw/zinc/38/58/40/181385840.db2.gz	OECHUGCITYQGCY-YUMQZZPRSA-N	1	3	246.311	-1.639	50	0		BAAAHO
NC(=[NH2+])NC(N)=NN1CCSCC1	ZINC000005494898	181188483	/nfs/dbraw/zinc/18/84/83/181188483.db2.gz	OAXWEUUGKNEPRV-UHFFFAOYSA-N	1	3	202.287	-1.042	50	0		BAAAHO
CN(C)CCNC(=O)CN1CC[NH2+]CC1	ZINC000019702185	384534192	/nfs/dbraw/zinc/53/41/92/384534192.db2.gz	CCNQJRWGVWUMCY-UHFFFAOYSA-N	1	3	214.313	-1.431	50	0		BAAAHO
C[NH+](C)CCCNC(=O)CN1CCNCC1	ZINC000020269869	384610338	/nfs/dbraw/zinc/61/03/38/384610338.db2.gz	YRZFXZQCMCBRAN-UHFFFAOYSA-N	1	3	228.340	-1.041	50	0		BAAAHO
NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCCCC1	ZINC000020465678	388771042	/nfs/dbraw/zinc/77/10/42/388771042.db2.gz	YUBAUVUZFJCRRH-VPOLOUISSA-N	1	3	230.308	-1.080	50	0	biogenic,in-vitro	BAAAHO
CC12CN3CC(CN(C1)CC3)[C@@]2(O)C[NH3+]	ZINC000022924039	168074451	/nfs/dbraw/zinc/07/44/51/168074451.db2.gz	BZTXIQKCGCYABD-ILDUYXDCSA-N	1	3	211.309	-1.057	50	0		BAAAHO
CC12CN3CC(CN(C1)CC3)[C@]2(O)C[NH3+]	ZINC000036056723	168073797	/nfs/dbraw/zinc/07/37/97/168073797.db2.gz	BZTXIQKCGCYABD-VQXHTEKXSA-N	1	3	211.309	-1.057	50	0		BAAAHO
CNCC(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000097019715	173326772	/nfs/dbraw/zinc/32/67/72/173326772.db2.gz	OIXYNLDBRIZYGL-QMMMGPOBSA-N	1	3	200.286	-1.693	50	0		BAAAHO
CNCC(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000097019717	173326716	/nfs/dbraw/zinc/32/67/16/173326716.db2.gz	OIXYNLDBRIZYGL-MRVPVSSYSA-N	1	3	200.286	-1.693	50	0		BAAAHO
CN1CCN(C(=O)CC[NH3+])[C@H](CN)C1	ZINC000097228740	173066099	/nfs/dbraw/zinc/06/60/99/173066099.db2.gz	ONGOOJNMXWYOQQ-MRVPVSSYSA-N	1	3	200.286	-1.564	50	0		BAAAHO
CN1CCN(C(=O)CC[NH3+])[C@@H](CN)C1	ZINC000097228742	173068085	/nfs/dbraw/zinc/06/80/85/173068085.db2.gz	ONGOOJNMXWYOQQ-QMMMGPOBSA-N	1	3	200.286	-1.564	50	0		BAAAHO
CN(C)C[C@@H]1CN(S(C)(=O)=O)C[C@H]1[NH3+]	ZINC000169676840	385416371	/nfs/dbraw/zinc/41/63/71/385416371.db2.gz	UBOHKDZCBLELNK-HTQZYQBOSA-N	1	3	221.326	-1.233	50	0		BAAAHO
C[NH+](C)C[C@@H]1CN(S(C)(=O)=O)C[C@H]1N	ZINC000169676840	385416366	/nfs/dbraw/zinc/41/63/66/385416366.db2.gz	UBOHKDZCBLELNK-HTQZYQBOSA-N	1	3	221.326	-1.233	50	0		BAAAHO