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)c1ccc(/C=[NH+]/N2CC[NH+](Cc3ccccc3Cl)CC2)cc1	ZINC000019771360	520883698	/nfs/dbraw/zinc/88/36/98/520883698.db2.gz	IEFBPLMVUXKBJU-JJIBRWJFSA-N	2	2	384.955	4.338	50	30		GIEALP
N#Cc1cccc(C[NH+]2CCC3(CC2)C[C@@H](CCOc2cc[nH+]cc2)CCO3)c1	ZINC000575552401	823977272	/nfs/dbraw/zinc/97/72/72/823977272.db2.gz	BEJCMOLORIWYNY-FQEVSTJZSA-N	2	2	391.515	4.184	50	30		GIEALP
N#Cc1cccc(C[NH+]2CCC3(CC2)C[C@H](CCOc2cc[nH+]cc2)CCO3)c1	ZINC000575552408	823977245	/nfs/dbraw/zinc/97/72/45/823977245.db2.gz	BEJCMOLORIWYNY-HXUWFJFHSA-N	2	2	391.515	4.184	50	30		GIEALP
C=C(Cl)COc1nc2cc(SC)ccc2cc1C[NH2+]CCn1cc[nH+]c1	ZINC000012245480	818148639	/nfs/dbraw/zinc/14/86/39/818148639.db2.gz	CFGKFVJBNHRUMX-UHFFFAOYSA-N	2	2	388.924	4.074	50	30		GIEALP
CCN(CC)c1ccc(C=[NH+]N2CC[NH+](Cc3ccc(C)cc3C)CC2)c(O)c1	ZINC000244691947	570433252	/nfs/dbraw/zinc/43/32/52/570433252.db2.gz	JLSVESCSMSAXAB-UHFFFAOYSA-N	2	2	394.563	4.007	50	30		GIEALP
N#Cc1cc(C[N@@H+](Cc2cccnc2)C[C@@H]2CCC[NH+](C3CCCCC3)C2)c[nH]1	ZINC000095502586	211254769	/nfs/dbraw/zinc/25/47/69/211254769.db2.gz	YNQPDLVCSOCHKR-NRFANRHFSA-N	2	2	391.563	4.328	50	30		GIEALP
N#Cc1cc(C[N@H+](Cc2cccnc2)C[C@@H]2CCC[NH+](C3CCCCC3)C2)c[nH]1	ZINC000095502586	211254771	/nfs/dbraw/zinc/25/47/71/211254771.db2.gz	YNQPDLVCSOCHKR-NRFANRHFSA-N	2	2	391.563	4.328	50	30		GIEALP
N#Cc1cc(C[NH+](Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c[nH]1	ZINC000095502586	211254774	/nfs/dbraw/zinc/25/47/74/211254774.db2.gz	YNQPDLVCSOCHKR-NRFANRHFSA-N	2	2	391.563	4.328	50	30		GIEALP
N#Cc1cc(C[NH+](Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c[nH]1	ZINC000095502586	211254777	/nfs/dbraw/zinc/25/47/77/211254777.db2.gz	YNQPDLVCSOCHKR-NRFANRHFSA-N	2	2	391.563	4.328	50	30		GIEALP
CCN(CC)c1ccc(/C=[NH+]/N2CC[NH+](Cc3ccc(C)cc3C)CC2)c(O)c1	ZINC000019791046	520882684	/nfs/dbraw/zinc/88/26/84/520882684.db2.gz	JLSVESCSMSAXAB-KOEQRZSOSA-N	2	2	394.563	4.007	50	30		GIEALP
CCN(CC)c1ccc(C=[NH+]N2CC[NH+](Cc3ccccc3Cl)CC2)cc1	ZINC000238900246	570427506	/nfs/dbraw/zinc/42/75/06/570427506.db2.gz	IEFBPLMVUXKBJU-UHFFFAOYSA-N	2	2	384.955	4.338	50	30		GIEALP
CCN(CC)c1ccc(/C=[NH+]/N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1	ZINC000019773002	520883229	/nfs/dbraw/zinc/88/32/29/520883229.db2.gz	IASKDEZLTHUFJE-JJIBRWJFSA-N	2	2	384.955	4.338	50	30		GIEALP