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+]1CCN(C(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)N4CC[NH+](C)CC4)C3=O)SC2=S)CC1	ZINC000008398871	552999854	/nfs/dbraw/zinc/99/98/54/552999854.db2.gz	VIIAXLDGCHJQGA-WCWDXBQESA-N	2	2	654.950	2.587	50	10		KFCALP
Oc1c(I)cc(I)cc1C[NH2+]C[C@H](O)C[NH+]1CCCCC1	ZINC000048277682	554321399	/nfs/dbraw/zinc/32/13/99/554321399.db2.gz	KEWDGKZLJQPOGB-ZDUSSCGKSA-N	2	2	516.161	2.538	50	10		KFCALP
Oc1c(I)cc(I)cc1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1	ZINC000048277685	554321428	/nfs/dbraw/zinc/32/14/28/554321428.db2.gz	KEWDGKZLJQPOGB-CYBMUJFWSA-N	2	2	516.161	2.538	50	10		KFCALP
Oc1c(I)cc(I)cc1C[NH2+]CCC[NH+]1CCC(O)CC1	ZINC000048277699	554321527	/nfs/dbraw/zinc/32/15/27/554321527.db2.gz	GLQHGEJHDGGUAI-UHFFFAOYSA-N	2	2	516.161	2.538	50	10		KFCALP
C[NH+]1CCN(C(=O)CCCCCN2C(=O)/C(=C3/SC(=S)N(CCCCCC(=O)N4CC[NH+](C)CC4)C3=O)SC2=S)CC1	ZINC000150614150	571523252	/nfs/dbraw/zinc/52/32/52/571523252.db2.gz	VIIAXLDGCHJQGA-VHXPQNKSSA-N	2	2	654.950	2.587	50	10		KFCALP
C[C@@H](C[NH2+]Cc1cc(I)cc(I)c1O)CN1CC[NH+](C)CC1	ZINC000205260676	1059436158	/nfs/dbraw/zinc/43/61/58/1059436158.db2.gz	OZCUFNUEUBGGHN-LBPRGKRZSA-N	2	2	529.204	2.575	50	10		KFCALP
C[C@H](C[NH2+]Cc1cc(I)cc(I)c1O)CN1CC[NH+](C)CC1	ZINC000205260692	1059436187	/nfs/dbraw/zinc/43/61/87/1059436187.db2.gz	OZCUFNUEUBGGHN-GFCCVEGCSA-N	2	2	529.204	2.575	50	10		KFCALP
C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc(I)cc(I)c2O)CC1	ZINC000205272459	1059437391	/nfs/dbraw/zinc/43/73/91/1059437391.db2.gz	OEGRFNRQOFZXQK-UHFFFAOYSA-N	2	2	529.204	2.717	50	10		KFCALP
CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(I)cc(I)c2O)CC1	ZINC000252536342	572262780	/nfs/dbraw/zinc/26/27/80/572262780.db2.gz	IEZQIMFLOXKNLE-GFCCVEGCSA-N	2	2	529.204	2.717	50	10		KFCALP
CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(I)cc(I)c2O)CC1	ZINC000252536343	572262733	/nfs/dbraw/zinc/26/27/33/572262733.db2.gz	IEZQIMFLOXKNLE-LBPRGKRZSA-N	2	2	529.204	2.717	50	10		KFCALP
CN1CC[NH+](CCCC[NH2+]Cc2cc(I)cc(I)c2O)CC1	ZINC000252549510	572263346	/nfs/dbraw/zinc/26/33/46/572263346.db2.gz	RJXXLDAXJLZZDL-UHFFFAOYSA-N	2	2	529.204	2.719	50	10		KFCALP
CC(C)[C@H](C[NH2+]Cc1cc(I)cc(I)c1O)N1CC[NH+](C)CC1	ZINC000252552489	572263456	/nfs/dbraw/zinc/26/34/56/572263456.db2.gz	UTFHZDJOUFWUBK-INIZCTEOSA-N	2	2	543.231	2.963	50	10		KFCALP
CC(C)[C@@H](C[NH2+]Cc1cc(I)cc(I)c1O)N1CC[NH+](C)CC1	ZINC000252552490	572263468	/nfs/dbraw/zinc/26/34/68/572263468.db2.gz	UTFHZDJOUFWUBK-MRXNPFEDSA-N	2	2	543.231	2.963	50	10		KFCALP
CC[NH+]1CCN(CCC[NH2+]Cc2cc(I)cc(I)c2O)CC1	ZINC000252571330	572263736	/nfs/dbraw/zinc/26/37/36/572263736.db2.gz	XUWXEWPRZSEVAU-UHFFFAOYSA-N	2	2	529.204	2.719	50	10		KFCALP