smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)c1ccc(Nc2c3ccccc3[nH+]c3c(C(=O)N4CC[NH+](CCO)CC4)cccc23)cc1	ZINC000005732675	561697906	/nfs/dbraw/zinc/69/79/06/561697906.db2.gz	BTUADNZMKNSILJ-UHFFFAOYSA-N	2	2	505.600	2.529	1	10		KFCFLP
[NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1ccc(NC(=O)CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c2c1C(=O)c1ccccc1C2=O	ZINC000026836527	561824513	/nfs/dbraw/zinc/82/45/13/561824513.db2.gz	OLJNUUXYMNOVFR-HNRBIFIRSA-N	2	2	724.778	2.674	1	10		KFCFLP
CN1c2cccnc2N(C)c2nc(C[NH2+]CCNCC3=N[C@H]4[C@@H](C=C3)N(C)c3ccc[nH+]c3N4C)ccc21	ZINC000028096746	561900943	/nfs/dbraw/zinc/90/09/43/561900943.db2.gz	WPUKNWZRGFCALT-YIXXDRMTSA-N	2	2	510.650	2.692	1	10		KFCFLP
CN1c2cccnc2N(C)c2nc(C[NH2+]CCNCC3=N[C@H]4[C@H](C=C3)N(C)c3ccc[nH+]c3N4C)ccc21	ZINC000028096752	561900935	/nfs/dbraw/zinc/90/09/35/561900935.db2.gz	WPUKNWZRGFCALT-WNCULLNHSA-N	2	2	510.650	2.692	1	10		KFCFLP
CN1c2cccnc2N(C)c2nc(C[NH2+]CCNCC3=N[C@@H]4[C@@H](C=C3)N(C)c3ccc[nH+]c3N4C)ccc21	ZINC000038152848	562067364	/nfs/dbraw/zinc/06/73/64/562067364.db2.gz	WPUKNWZRGFCALT-KCWPFWIISA-N	2	2	510.650	2.692	1	10		KFCFLP
CN1c2cccnc2N(C)c2nc(C[NH2+]CCNCC3=N[C@@H]4[C@H](C=C3)N(C)c3ccc[nH+]c3N4C)ccc21	ZINC000038152850	562067460	/nfs/dbraw/zinc/06/74/60/562067460.db2.gz	WPUKNWZRGFCALT-HOFKKMOUSA-N	2	2	510.650	2.692	1	10		KFCFLP
CCN1CC[NH+](Cc2cc(NC(=O)c3nc4ccccc4nc3OC)cc(N3CC[NH+](CC)CC3)c2O)CC1	ZINC000040564318	562077887	/nfs/dbraw/zinc/07/78/87/562077887.db2.gz	WPIFDMASBFESEZ-UHFFFAOYSA-N	2	2	533.677	2.876	1	10		KFCFLP
CNC(=[NH2+])N[C@H](CCCC(O)=CC(=O)CCc1cc(C[NH2+]C)c(O)c(OC2CCCC2)c1)CCn1cc[nH+]c1	ZINC000085626958	560069126	/nfs/dbraw/zinc/06/91/26/560069126.db2.gz	AWVBZPFGXSBENQ-HSZRJFAPSA-O	3	2	541.717	2.882	1	10	biogenic,in-vitro	KFCFLP
CNC(=[NH2+])N[C@H](CCCC(=O)C=C(O)CCc1cc(C[NH2+]C)c(O)c(OC2CCCC2)c1)CCn1cc[nH+]c1	ZINC000085626958	560069125	/nfs/dbraw/zinc/06/91/25/560069125.db2.gz	AWVBZPFGXSBENQ-HSZRJFAPSA-O	3	2	541.717	2.882	1	10	biogenic,in-vitro	KFCFLP
COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)c1c(n(CCC[NH+]3CCOCC3)c2=O)-c2cc3c(cc2C1=O)OCO3	ZINC000169346591	562861819	/nfs/dbraw/zinc/86/18/19/562861819.db2.gz	XKXLQHGJRMRRLZ-UHFFFAOYSA-N	2	2	604.704	2.689	1	10		KFCFLP
Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(N4CC[NH+](CCC[NH+](C)C)CC4)ccc3OC(F)(F)F)ncc1CC2	ZINC000169687800	562865130	/nfs/dbraw/zinc/86/51/30/562865130.db2.gz	ZMMZXGLECYSZEP-UHFFFAOYSA-N	2	2	573.624	2.791	1	10		KFCFLP