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)C(=O)N(CCC[NH+]1CCOCC1)Cc1cc([N+](=O)[O-])ccc1O	ZINC000040916650	205084919	/nfs/dbraw/zinc/08/49/19/205084919.db2.gz	GAHKCMBXUQQIPH-UHFFFAOYSA-N	1	2	366.418	1.506	1	10		FDCFLO
C[C@H]1[NH2+]C2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12	ZINC000015276090	204607039	/nfs/dbraw/zinc/60/70/39/204607039.db2.gz	UCSAUIRKRFKHFA-RLCCDNCMSA-N	1	2	360.369	1.602	2	10		FDCFLO
CCOC(=O)[C@@]1(C)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21	ZINC000103955769	209256295	/nfs/dbraw/zinc/25/62/95/209256295.db2.gz	NOSSHDVZLGRGSS-NLDJYOPPSA-N	1	2	373.453	1.340	1	10		FDCFLO
COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1	ZINC000012550780	536700066	/nfs/dbraw/zinc/70/00/66/536700066.db2.gz	LVGFEGPBCNDXHU-ULQDDVLXSA-N	1	2	361.486	1.842	1	10		FDCFLO
CCOC(=O)[C@]1(CC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000169293175	206249458	/nfs/dbraw/zinc/24/94/58/206249458.db2.gz	LOQQSTKCOAGMGJ-IHSNIMORSA-N	1	2	373.453	1.340	1	10		FDCFLO
C[C@H]1[NH2+]C2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12	ZINC000100119133	209208768	/nfs/dbraw/zinc/20/87/68/209208768.db2.gz	UCSAUIRKRFKHFA-LYRGGWFBSA-N	1	2	360.369	1.602	2	10		FDCFLO
CCOC(=O)[C@@]1(CC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000019500732	220264122	/nfs/dbraw/zinc/26/41/22/220264122.db2.gz	LOQQSTKCOAGMGJ-ROYATCLZSA-N	1	2	373.453	1.340	1	10		FDCFLO
CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21	ZINC000019526775	220268677	/nfs/dbraw/zinc/26/86/77/220268677.db2.gz	NOSSHDVZLGRGSS-KSVNGYGVSA-N	1	2	373.453	1.340	1	10		FDCFLO
CN(C)C(=O)[C@H]1CCC[N@H+](CCC(=O)c2ccc(O)c(O)c2[N+](=O)[O-])C1	ZINC000013677669	220084570	/nfs/dbraw/zinc/08/45/70/220084570.db2.gz	FSIWJBLLJANEGQ-NSHDSACASA-N	1	2	365.386	1.379	1	10		FDCFLO
CN(C)C(=O)[C@H]1CCC[N@@H+](CCC(=O)c2ccc(O)c(O)c2[N+](=O)[O-])C1	ZINC000013677669	220084572	/nfs/dbraw/zinc/08/45/72/220084572.db2.gz	FSIWJBLLJANEGQ-NSHDSACASA-N	1	2	365.386	1.379	1	10		FDCFLO
C[NH2+]Cc1c(O)c2c(cc1OC)C(=O)c1cc(OC)c(O)c(CO)c1C2=O	ZINC000085486906	291038689	/nfs/dbraw/zinc/03/86/89/291038689.db2.gz	IGQFGWWDBSKFKA-UHFFFAOYSA-N	1	2	373.361	1.102	1	10	biogenic,in-vitro	FDCFLO
NC(=[NH2+])NCCC[C@H](Nc1c2ccccc2[n+](O)c2ccccc21)C(=O)[O-]	ZINC000017193670	220209927	/nfs/dbraw/zinc/20/99/27/220209927.db2.gz	WOEBTCAQBCEGHJ-AWEZNQCLSA-N	1	2	367.409	1.755	1	10		FDCFLO
CCOC(=O)[C@@]1(C)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21	ZINC000019526774	220268510	/nfs/dbraw/zinc/26/85/10/220268510.db2.gz	NOSSHDVZLGRGSS-QOIOWGMHSA-N	1	2	373.453	1.340	1	10		FDCFLO