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[NH2+]CCCN2CCCC2)cc1	ZINC000020128906	171016359	/nfs/dbraw/zinc/01/63/59/171016359.db2.gz	HIFQSTCGCVLODT-UHFFFAOYSA-N	1	3	261.413	2.328	50	10		CECAHO
Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c([O-])c1	ZINC000067490072	362908031	/nfs/dbraw/zinc/90/80/31/362908031.db2.gz	LYXDJVKSKHUWPP-UHFFFAOYSA-N	1	3	260.381	2.276	50	10		CECAHO
Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c([O-])c1	ZINC000067490072	362908037	/nfs/dbraw/zinc/90/80/37/362908037.db2.gz	LYXDJVKSKHUWPP-UHFFFAOYSA-N	1	3	260.381	2.276	50	10		CECAHO
CC[N@@H+]1CCC[C@@H]1CNCc1ccc(N(C)C)cc1	ZINC000022936674	361590639	/nfs/dbraw/zinc/59/06/39/361590639.db2.gz	QOOKLBJZERZBCI-MRXNPFEDSA-N	1	3	261.413	2.327	50	10		CECAHO
CC[N@H+]1CCC[C@@H]1CNCc1ccc(N(C)C)cc1	ZINC000022936674	361590645	/nfs/dbraw/zinc/59/06/45/361590645.db2.gz	QOOKLBJZERZBCI-MRXNPFEDSA-N	1	3	261.413	2.327	50	10		CECAHO
CC[N@@H+]1CCC[C@H]1CNCc1ccc(N(C)C)cc1	ZINC000022936676	361590178	/nfs/dbraw/zinc/59/01/78/361590178.db2.gz	QOOKLBJZERZBCI-INIZCTEOSA-N	1	3	261.413	2.327	50	10		CECAHO
CC[N@H+]1CCC[C@H]1CNCc1ccc(N(C)C)cc1	ZINC000022936676	361590185	/nfs/dbraw/zinc/59/01/85/361590185.db2.gz	QOOKLBJZERZBCI-INIZCTEOSA-N	1	3	261.413	2.327	50	10		CECAHO
COc1ccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c([O-])c1	ZINC000072140356	176323266	/nfs/dbraw/zinc/32/32/66/176323266.db2.gz	JIIINAHVHXWSKS-UHFFFAOYSA-N	1	3	290.407	2.366	50	10		CECAHO
COc1cccc([O-])c1C[NH+]1CCC2(CC[N@H+](C)C2)CC1	ZINC000065406285	362819152	/nfs/dbraw/zinc/81/91/52/362819152.db2.gz	MDVUYXRMDRFDCO-UHFFFAOYSA-N	1	3	290.407	2.319	50	10		CECAHO
COc1cccc([O-])c1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1	ZINC000065406285	362819154	/nfs/dbraw/zinc/81/91/54/362819154.db2.gz	MDVUYXRMDRFDCO-UHFFFAOYSA-N	1	3	290.407	2.319	50	10		CECAHO
CCOc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1[O-]	ZINC000067840097	362926589	/nfs/dbraw/zinc/92/65/89/362926589.db2.gz	MVOWRTRVTHPJKS-UHFFFAOYSA-N	1	3	290.407	2.366	50	10		CECAHO
CCOc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1[O-]	ZINC000067840097	362926598	/nfs/dbraw/zinc/92/65/98/362926598.db2.gz	MVOWRTRVTHPJKS-UHFFFAOYSA-N	1	3	290.407	2.366	50	10		CECAHO