smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C=CC(=O)C(C[NH+](C)C)C[NH+](C)C)cc1	ZINC000001581520	361210109	/nfs/dbraw/zinc/21/01/09/361210109.db2.gz	ABAQDPTUBKTTAD-DHZHZOJOSA-N	2	2	290.407	2.017	40	30		CEEBLP
CC(=Cc1ccccc1)C(=O)C(C[NH+](C)C)C[NH+](C)C	ZINC000001586833	277728311	/nfs/dbraw/zinc/72/83/11/277728311.db2.gz	GOLDIDAFXKZTNL-KAMYIIQDSA-N	2	2	274.408	2.398	40	30		CEEBLP
C#C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2C[NH2+]Cc1ccc(F)c(F)c1	ZINC000020503766	361583597	/nfs/dbraw/zinc/58/35/97/361583597.db2.gz	DHIKTLOUHULVOQ-SOUVJXGZSA-N	2	2	290.357	2.398	40	30	biogenic,in-vitro	CEEBLP
Cc1cccc(C=CC(=O)C(C[NH+](C)C)C[NH+](C)C)c1	ZINC000001582572	361210278	/nfs/dbraw/zinc/21/02/78/361210278.db2.gz	XLJZTMBTUBNXEF-MDZDMXLPSA-N	2	2	274.408	2.317	40	30		CEEBLP
Cc1ccc(C=CC(=O)C(C[NH+](C)C)C[NH+](C)C)cc1	ZINC000017131245	361505801	/nfs/dbraw/zinc/50/58/01/361505801.db2.gz	LZUVERCBODYSPA-KHPPLWFESA-N	2	2	274.408	2.317	40	30		CEEBLP
COc1cccc(C=CC(=O)C(C[NH+](C)C)C[NH+](C)C)c1	ZINC000001584696	361209949	/nfs/dbraw/zinc/20/99/49/361209949.db2.gz	MRGDKRUSLBXIPN-MDZDMXLPSA-N	2	2	290.407	2.017	40	30		CEEBLP
C[NH+](C)CC(C[NH+](C)C)C(=O)C=Cc1ccccc1	ZINC000001581519	361209807	/nfs/dbraw/zinc/20/98/07/361209807.db2.gz	LDBAJGGBMPCEDJ-ZHACJKMWSA-N	2	2	260.381	2.008	40	30		CEEBLP
COc1cccc(C=CC(=O)C(C[NH+](C)C)C[NH+](C)C)c1	ZINC000031960780	361724370	/nfs/dbraw/zinc/72/43/70/361724370.db2.gz	MRGDKRUSLBXIPN-KTKRTIGZSA-N	2	2	290.407	2.017	40	30		CEEBLP
C#C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2C[NH2+]Cc1ccc(OC)cc1	ZINC000020503756	394472810	/nfs/dbraw/zinc/47/28/10/394472810.db2.gz	FOCDHVZDCFCGAV-YESZJQIVSA-N	2	2	284.403	2.128	40	30	biogenic,in-vitro	CEEBLP
C#C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2C[NH2+]Cc1ccc(OC)cc1	ZINC000020503756	394472814	/nfs/dbraw/zinc/47/28/14/394472814.db2.gz	FOCDHVZDCFCGAV-YESZJQIVSA-N	2	2	284.403	2.128	40	30	biogenic,in-vitro	CEEBLP
COc1ccc(C=CC(=O)C(C[NH+](C)C)C[NH+](C)C)cc1	ZINC000031960392	361724073	/nfs/dbraw/zinc/72/40/73/361724073.db2.gz	ABAQDPTUBKTTAD-FLIBITNWSA-N	2	2	290.407	2.017	40	30		CEEBLP
C[NH+](CCC#N)Cc1ccc(C[N@H+](C)CCC#N)cc1	ZINC000078636289	177362663	/nfs/dbraw/zinc/36/26/63/177362663.db2.gz	YQVHOFOEVCETNH-UHFFFAOYSA-N	2	2	270.380	2.378	40	30		CEEBLP
C[NH+](CCC#N)Cc1ccc(C[N@@H+](C)CCC#N)cc1	ZINC000078636289	177362665	/nfs/dbraw/zinc/36/26/65/177362665.db2.gz	YQVHOFOEVCETNH-UHFFFAOYSA-N	2	2	270.380	2.378	40	30		CEEBLP
CC(=Cc1ccccc1)C(=O)C(C[NH+](C)C)C[NH+](C)C	ZINC000031771952	394487089	/nfs/dbraw/zinc/48/70/89/394487089.db2.gz	GOLDIDAFXKZTNL-SDNWHVSQSA-N	2	2	274.408	2.398	40	30		CEEBLP
C[NH+](C)CC(C[NH+](C)C)C(=O)C=Cc1ccccc1	ZINC000017131243	361505510	/nfs/dbraw/zinc/50/55/10/361505510.db2.gz	LDBAJGGBMPCEDJ-KHPPLWFESA-N	2	2	260.381	2.008	40	30		CEEBLP
Cc1ccc(C=CC(=O)C(C[NH+](C)C)C[NH+](C)C)cc1	ZINC000001581522	361210290	/nfs/dbraw/zinc/21/02/90/361210290.db2.gz	LZUVERCBODYSPA-ZHACJKMWSA-N	2	2	274.408	2.317	40	30		CEEBLP
Cc1cccc(C=CC(=O)C(C[NH+](C)C)C[NH+](C)C)c1	ZINC000017139653	361505733	/nfs/dbraw/zinc/50/57/33/361505733.db2.gz	XLJZTMBTUBNXEF-KTKRTIGZSA-N	2	2	274.408	2.317	40	30		CEEBLP