smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CCC[C@@H]1CNC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000179738399	442496564	/nfs/dbraw/zinc/49/65/64/442496564.db2.gz	YPTQWZNDIKSVPP-GOSISDBHSA-N	2	3	344.507	1.687	20	30		EDEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OCC[NH+](C)C	ZINC000264079864	285284256	/nfs/dbraw/zinc/28/42/56/285284256.db2.gz	GYRDWJVHUFHICW-KRWDZBQOSA-N	2	3	347.507	1.516	20	30		EDEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1	ZINC000104163129	529075082	/nfs/dbraw/zinc/07/50/82/529075082.db2.gz	BKRAIESUOULWRZ-QGZVFWFLSA-N	2	3	347.507	1.516	20	30		EDEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000179738416	442496659	/nfs/dbraw/zinc/49/66/59/442496659.db2.gz	YPTQWZNDIKSVPP-SFHVURJKSA-N	2	3	344.507	1.687	20	30		EDEDHP
C[NH+](C)CC1CCN(CC#CCN2CCC(C[NH+](C)C)CC2)CC1	ZINC000341848944	250001136	/nfs/dbraw/zinc/00/11/36/250001136.db2.gz	QGCOEXRUBGTCNY-UHFFFAOYSA-N	2	3	334.552	1.537	20	30		EDEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OCC[NH+](C)C	ZINC000264079869	285253792	/nfs/dbraw/zinc/25/37/92/285253792.db2.gz	GYRDWJVHUFHICW-QGZVFWFLSA-N	2	3	347.507	1.516	20	30		EDEDHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1	ZINC000264077653	535549081	/nfs/dbraw/zinc/54/90/81/535549081.db2.gz	HQIJQJCCZJVFLG-QGZVFWFLSA-N	2	3	347.507	1.516	20	30		EDEDHP
CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1	ZINC000104163132	529100180	/nfs/dbraw/zinc/10/01/80/529100180.db2.gz	BKRAIESUOULWRZ-KRWDZBQOSA-N	2	3	347.507	1.516	20	30		EDEDHP