smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[C@@H]1CC[C@@H](CC)[C@@H]2CCCC[N@H+]12	ZINC000015205547	188225071	/nfs/dbraw/zinc/22/50/71/188225071.db2.gz	NRZJZBQAXGAIHA-MCIONIFRSA-N	1	1	207.361	3.606	1	30		BHEFMO
C=CCC[N@H+]1CC[C@H]2c3ccccc3CC[C@H]2C1	ZINC000026157238	166265448	/nfs/dbraw/zinc/26/54/48/166265448.db2.gz	PNJAQRXFMJSZTD-DOTOQJQBSA-N	1	1	241.378	3.614	1	30		BHEFMO
CCCSC(Nc1ccc(Cl)cc1)=[NH+]C	ZINC000028122333	169334711	/nfs/dbraw/zinc/33/47/11/169334711.db2.gz	CLUFBPYOGJNDIS-UHFFFAOYSA-N	1	1	242.775	3.690	1	30		BHEFMO
C=CC[N@H+]1CCC[C@@]2(c3ccccc3)CC[C@@H]1C2	ZINC000029307310	166356289	/nfs/dbraw/zinc/35/62/89/166356289.db2.gz	HMWVGMFZKWHIJH-IAGOWNOFSA-N	1	1	241.378	3.759	1	30		BHEFMO
C=CC[N@H+]1CCC[C@@H](/C=C/c2ccccc2)C1	ZINC000029323420	166355646	/nfs/dbraw/zinc/35/56/46/166355646.db2.gz	LFYDIFWLHBZMPF-OFAQMXQXSA-N	1	1	227.351	3.598	1	30		BHEFMO
C=CC[N@H+]1CCC[C@H](/C=C/c2ccccc2)C1	ZINC000029323425	166357167	/nfs/dbraw/zinc/35/71/67/166357167.db2.gz	LFYDIFWLHBZMPF-SIFUEBAJSA-N	1	1	227.351	3.598	1	30		BHEFMO