smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(Br)ccc1C(=O)N1CCC(NC[C@@H]2C[NH2+]C[C@@H]2O)CC1	ZINC000263257203	531141272	/nfs/dbraw/zinc/14/12/72/531141272.db2.gz	QQKWMJUMLRKZID-GUYCJALGSA-N	1	3	396.329	1.532	10	0		GDAEHO
COc1ccc(CNCCCn2cccn2)c(OC[C@H](O)C[NH+]2CCCC2)c1	ZINC000012299461	204391219	/nfs/dbraw/zinc/39/12/19/204391219.db2.gz	RYWOPUYLWOKXJE-LJQANCHMSA-N	1	3	388.512	1.907	10	0		GDAEHO
COCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1ccc(CC[NH3+])cc1)CC2	ZINC000095518142	205484522	/nfs/dbraw/zinc/48/45/22/205484522.db2.gz	FDMDRCRQILJMNP-UHFFFAOYSA-N	1	3	397.523	1.433	10	0		GDAEHO
Cc1cc(Br)ccc1C(=O)N1CCC(NC[C@H]2C[NH2+]C[C@@H]2O)CC1	ZINC000263257200	531140977	/nfs/dbraw/zinc/14/09/77/531140977.db2.gz	QQKWMJUMLRKZID-DYVFJYSZSA-N	1	3	396.329	1.532	10	0		GDAEHO
CCN1CCN(CCNC(=O)c2nc(C)n(C3CC[NH+](C)CC3)c2C)CC1	ZINC000065257283	570885798	/nfs/dbraw/zinc/88/57/98/570885798.db2.gz	AVHCCIDLLNDVHV-UHFFFAOYSA-N	1	3	376.549	1.134	10	0		GDAEHO
Cc1cc(Br)ccc1C(=O)N1CCC(NC[C@H]2C[NH2+]C[C@H]2O)CC1	ZINC000263257198	531141301	/nfs/dbraw/zinc/14/13/01/531141301.db2.gz	QQKWMJUMLRKZID-CXAGYDPISA-N	1	3	396.329	1.532	10	0		GDAEHO
COc1ccc(CNCCCn2cccn2)c(OC[C@@H](O)C[NH+]2CCCC2)c1	ZINC000012299460	570295571	/nfs/dbraw/zinc/29/55/71/570295571.db2.gz	RYWOPUYLWOKXJE-IBGZPJMESA-N	1	3	388.512	1.907	10	0		GDAEHO
Cc1cc(Br)ccc1C(=O)N1CCC(NC[C@@H]2C[NH2+]C[C@H]2O)CC1	ZINC000263257205	531141267	/nfs/dbraw/zinc/14/12/67/531141267.db2.gz	QQKWMJUMLRKZID-SUMWQHHRSA-N	1	3	396.329	1.532	10	0		GDAEHO
CN(C)CCOc1ccc(CN2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)cc1	ZINC000012199342	221166803	/nfs/dbraw/zinc/16/68/03/221166803.db2.gz	RRLKEDQAEUQBHN-NHCUHLMSSA-N	1	3	377.529	1.019	10	0		GDAEHO
Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N3CCNC(=O)C3)CC2)CC1	ZINC000014968486	221321759	/nfs/dbraw/zinc/32/17/59/221321759.db2.gz	ZYUGPDKFCSVJIL-UHFFFAOYSA-N	1	3	398.551	1.630	10	0		GDAEHO