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)c1ccc(C=[NH+]NC(=N)N[NH+]=Cc2ccc(N(C)C)cc2)cc1	ZINC000005333984	204203155	/nfs/dbraw/zinc/20/31/55/204203155.db2.gz	DBTHUYFRHDODRL-JFMUQQRKSA-N	2	2	351.458	2.301	40	30		FEEBLP
CN1C[C@@]2(C[N@H+](Cc3cncs3)CC[C@@H]2O)O/C1=[NH+]/c1ccccc1	ZINC000257314054	549727570	/nfs/dbraw/zinc/72/75/70/549727570.db2.gz	UVDGHCZHISOROX-PUQWBCSLSA-N	2	2	358.467	2.098	40	30		FEEBLP
CN1C[C@@]2(C[N@@H+](Cc3cncs3)CC[C@@H]2O)O/C1=[NH+]/c1ccccc1	ZINC000257314054	549727573	/nfs/dbraw/zinc/72/75/73/549727573.db2.gz	UVDGHCZHISOROX-PUQWBCSLSA-N	2	2	358.467	2.098	40	30		FEEBLP
COc1cc(C=CC(=O)C(C[NH+](C)C)C[NH+](C)C)cc(OC)c1OC	ZINC000017139655	539639748	/nfs/dbraw/zinc/63/97/48/539639748.db2.gz	FRHCUPRMFQUAAT-HJWRWDBZSA-N	2	2	350.459	2.034	40	30		FEEBLP
C[NH+](C)CCCNc1nc(Nc2cccc(F)c2C#N)cc(C2CC2)[nH+]1	ZINC000329050033	210132570	/nfs/dbraw/zinc/13/25/70/210132570.db2.gz	URWPRLXAWNUZRF-UHFFFAOYSA-N	2	2	354.433	2.316	40	30		FEEBLP
COc1cc(C=CC(=O)C(C[NH+](C)C)C[NH+](C)C)cc(OC)c1OC	ZINC000001582574	210359855	/nfs/dbraw/zinc/35/98/55/210359855.db2.gz	FRHCUPRMFQUAAT-CMDGGOBGSA-N	2	2	350.459	2.034	40	30		FEEBLP
C=CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000012221341	539550811	/nfs/dbraw/zinc/55/08/11/539550811.db2.gz	XLOXTKFXSGKYBU-UHFFFAOYSA-N	2	2	355.486	2.117	40	30		FEEBLP
C=CCOc1c(Br)cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc1OC	ZINC000022076664	263385240	/nfs/dbraw/zinc/38/52/40/263385240.db2.gz	YYHJOBCKFLQTJL-GFCCVEGCSA-N	2	2	373.291	2.083	40	30		FEEBLP
C=CCOc1c(Br)cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc1OC	ZINC000022076666	263385021	/nfs/dbraw/zinc/38/50/21/263385021.db2.gz	YYHJOBCKFLQTJL-LBPRGKRZSA-N	2	2	373.291	2.083	40	30		FEEBLP
CC(C)C[N@@H+]1CCN(C)C(=O)C12CC[NH+](Cc1cccc(C#N)c1)CC2	ZINC000096230259	209140351	/nfs/dbraw/zinc/14/03/51/209140351.db2.gz	GKLPBPGXCPAWJF-UHFFFAOYSA-N	2	2	354.498	2.323	40	30		FEEBLP
CC(C)C[N@H+]1CCN(C)C(=O)C12CC[NH+](Cc1cccc(C#N)c1)CC2	ZINC000096230259	209140354	/nfs/dbraw/zinc/14/03/54/209140354.db2.gz	GKLPBPGXCPAWJF-UHFFFAOYSA-N	2	2	354.498	2.323	40	30		FEEBLP
C=CC[NH+](C)C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1	ZINC000067870666	541522440	/nfs/dbraw/zinc/52/24/40/541522440.db2.gz	TZBAJGYVKONBAK-IRFCIJBXSA-N	2	2	370.541	2.311	40	30	biogenic,in-vitro	FEEBLP
C=CC[NH+](C)C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1	ZINC000067870666	541522442	/nfs/dbraw/zinc/52/24/42/541522442.db2.gz	TZBAJGYVKONBAK-IRFCIJBXSA-N	2	2	370.541	2.311	40	30	biogenic,in-vitro	FEEBLP
C=CC[N@@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1	ZINC000067870666	541522446	/nfs/dbraw/zinc/52/24/46/541522446.db2.gz	TZBAJGYVKONBAK-IRFCIJBXSA-N	2	2	370.541	2.311	40	30	biogenic,in-vitro	FEEBLP
C=CC[N@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1	ZINC000067870666	541522448	/nfs/dbraw/zinc/52/24/48/541522448.db2.gz	TZBAJGYVKONBAK-IRFCIJBXSA-N	2	2	370.541	2.311	40	30	biogenic,in-vitro	FEEBLP
C#CC[NH+](C)C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(OC)cc1	ZINC000015672692	518255633	/nfs/dbraw/zinc/25/56/33/518255633.db2.gz	JEWYUPFLPVZFKJ-JENIJYKNSA-N	2	2	370.497	2.092	40	30	biogenic,in-vitro	FEEBLP
C#CC[NH+](C)C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(OC)cc1	ZINC000015672692	518255643	/nfs/dbraw/zinc/25/56/43/518255643.db2.gz	JEWYUPFLPVZFKJ-JENIJYKNSA-N	2	2	370.497	2.092	40	30	biogenic,in-vitro	FEEBLP
C#CC[N@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(OC)cc1	ZINC000015672692	518255658	/nfs/dbraw/zinc/25/56/58/518255658.db2.gz	JEWYUPFLPVZFKJ-JENIJYKNSA-N	2	2	370.497	2.092	40	30	biogenic,in-vitro	FEEBLP