smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(C/C(N)=[NH+]/O)CC1	47218850	343273160	/nfs/dbraw/zinc/27/31/60/343273160.db2.gz	OZOVEEGYIBBXPG-UHFFFAOYSA-N	2	2	171.244	0.465	50	30	in-vitro	ACEALP
C#CC[NH2+]C1CC[NH+](C)CC1	19875373	166022558	/nfs/dbraw/zinc/02/25/58/166022558.db2.gz	HUOBAQJEADYYMG-UHFFFAOYSA-N	2	2	152.241	0.303	50	30		ACEALP
C=CC[NH+](CC=C)CC[NH3+]	23352662	166171751	/nfs/dbraw/zinc/17/17/51/166171751.db2.gz	CHWMPPNDIBLYMB-UHFFFAOYSA-N	2	2	140.230	0.619	50	30	in-vitro	ACEALP
N/C(CCC[NH+]1CCCCC1)=[NH+]/O	4785870	169132298	/nfs/dbraw/zinc/13/22/98/169132298.db2.gz	UUIRQFMZIGGUJL-UHFFFAOYSA-N	2	2	185.271	0.999	50	30	in-vitro	ACEALP
N/C(CCC[NH+]1CCCC1)=[NH+]/O	2580865	169132681	/nfs/dbraw/zinc/13/26/81/169132681.db2.gz	YEKPNUPXADZWBC-UHFFFAOYSA-N	2	2	171.244	0.609	50	30		ACEALP
C#CCC[N@H+]1CCC[C@@H]([NH3+])C1	41029162	171189412	/nfs/dbraw/zinc/18/94/12/171189412.db2.gz	JJRJQCVOHZKISR-SECBINFHSA-N	2	2	152.241	0.433	50	30		ACEALP
C#CCC[N@@H+]1CCC[C@@H]([NH3+])C1	41029162	171189415	/nfs/dbraw/zinc/18/94/15/171189415.db2.gz	JJRJQCVOHZKISR-SECBINFHSA-N	2	2	152.241	0.433	50	30		ACEALP
C#CC[N@H+]1CCC[C@H]([NH3+])C1	41029177	171189575	/nfs/dbraw/zinc/18/95/75/171189575.db2.gz	LPAIJTCPOYPLDO-QMMMGPOBSA-N	2	2	138.214	0.043	50	30	in-vitro	ACEALP
C#CC[N@@H+]1CCC[C@H]([NH3+])C1	41029177	171189576	/nfs/dbraw/zinc/18/95/76/171189576.db2.gz	LPAIJTCPOYPLDO-QMMMGPOBSA-N	2	2	138.214	0.043	50	30	in-vitro	ACEALP
C#CC[N@H+]1CCC[C@@H]([NH3+])C1	41029178	171189585	/nfs/dbraw/zinc/18/95/85/171189585.db2.gz	LPAIJTCPOYPLDO-MRVPVSSYSA-N	2	2	138.214	0.043	50	30	in-vitro	ACEALP
C#CC[N@@H+]1CCC[C@@H]([NH3+])C1	41029178	171189586	/nfs/dbraw/zinc/18/95/86/171189586.db2.gz	LPAIJTCPOYPLDO-MRVPVSSYSA-N	2	2	138.214	0.043	50	30	in-vitro	ACEALP
C#CCC[N@H+]1CCC[C@H]([NH3+])C1	41029161	171189639	/nfs/dbraw/zinc/18/96/39/171189639.db2.gz	JJRJQCVOHZKISR-VIFPVBQESA-N	2	2	152.241	0.433	50	30		ACEALP
C#CCC[N@@H+]1CCC[C@H]([NH3+])C1	41029161	171189641	/nfs/dbraw/zinc/18/96/41/171189641.db2.gz	JJRJQCVOHZKISR-VIFPVBQESA-N	2	2	152.241	0.433	50	30		ACEALP
C[NH+]1CCC(C)(/C(N)=[NH+]/O)CC1	226329077	344499405	/nfs/dbraw/zinc/49/94/05/344499405.db2.gz	ZTVGFLYMVKPOTJ-UHFFFAOYSA-N	2	2	171.244	0.465	50	30		ACEALP
C[NH+](C)CCC[NH2+]CCC#N	31362504	343093365	/nfs/dbraw/zinc/09/33/65/343093365.db2.gz	YALMGFWDBZZMMB-UHFFFAOYSA-N	2	2	155.245	0.441	50	30		ACEALP
CC(C)[NH+]1CCC(/C(N)=[NH+]/O)CC1	70663895	343523072	/nfs/dbraw/zinc/52/30/72/343523072.db2.gz	LDDGXQSJVMRSHM-UHFFFAOYSA-N	2	2	185.271	0.853	50	30		ACEALP