smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c(=O)cc2oc(-c3ccc(O)c(CC[C@H](C)CO)c3)c(OC)c(O)c-2c1O	ZINC000014648349	291237930	/nfs/dbraw/zinc/23/79/30/291237930.db2.gz	VLVYYPSDJMDDBM-NSHDSACASA-N	0	2	416.426	3.155	10	0	biogenic	HGAELN
CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc([NH+]2CCCC2)cc1C(=O)[O-]	ZINC000021885996	568758569	/nfs/dbraw/zinc/75/85/69/568758569.db2.gz	WMKMOUDZXDNXSE-UHFFFAOYSA-N	0	2	417.487	3.053	10	0		HGAELN
COc1cccc2c1CC[NH+]=C2C[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)[O-]	ZINC000049590553	291241049	/nfs/dbraw/zinc/24/10/49/291241049.db2.gz	AUZMFIOZIGOVJV-HOTGVXAUSA-N	0	2	400.519	3.416	10	0		HGAELN
CN(Cc1ccccc1)C(=O)c1ccc2c(c1)[nH]c(=S)n(C[C@H]1CCCO1)c2=O	ZINC000003630200	568921028	/nfs/dbraw/zinc/92/10/28/568921028.db2.gz	LTZAIFYLSFOJNE-QGZVFWFLSA-N	0	2	409.511	3.136	10	0		HGAELN
COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ncn1	ZINC000001518380	569011767	/nfs/dbraw/zinc/01/17/67/569011767.db2.gz	SAAIZSMGJKJUBS-UHFFFAOYSA-N	0	2	418.862	3.192	10	0		HGAELN
O=C([O-])C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)C[N@@H+]2CC1CCC2	ZINC000725245493	559075068	/nfs/dbraw/zinc/07/50/68/559075068.db2.gz	UFRFWRIMSFXQPK-FYSMJZIKSA-N	0	2	406.482	3.322	10	0		HGAELN
O=C([O-])C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)C[N@H+]2CC1CCC2	ZINC000725245493	559075069	/nfs/dbraw/zinc/07/50/69/559075069.db2.gz	UFRFWRIMSFXQPK-FYSMJZIKSA-N	0	2	406.482	3.322	10	0		HGAELN
COc1ccccc1Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2[nH]c1=S	ZINC000002971846	568831955	/nfs/dbraw/zinc/83/19/55/568831955.db2.gz	VSWPNXDYOIWPMJ-UHFFFAOYSA-N	0	2	409.511	3.415	10	0		HGAELN
CC(C)c1noc([C@@]23CCC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)CC2=O)C3)n1	ZINC000328605985	569418261	/nfs/dbraw/zinc/41/82/61/569418261.db2.gz	QBGYLBRRDJDQHM-IVZQSRNASA-N	0	2	407.474	3.278	10	0		HGAELN
COc1c(=O)cc2oc(-c3ccc(O)c(CC[C@@H](C)CO)c3)c(OC)c(O)c-2c1O	ZINC000014648347	291237978	/nfs/dbraw/zinc/23/79/78/291237978.db2.gz	VLVYYPSDJMDDBM-LLVKDONJSA-N	0	2	416.426	3.155	10	0	biogenic	HGAELN
CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)NCC(C)C)c(=O)[nH]2)cc1OC	ZINC000034767015	557462378	/nfs/dbraw/zinc/46/23/78/557462378.db2.gz	SLJMLPCZDUCWSI-CQSZACIVSA-N	0	2	402.495	3.135	10	0		HGAELN
O=C([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)c(NC(=O)c2ccc(F)cc2)c1	ZINC000032946738	526373600	/nfs/dbraw/zinc/37/36/00/526373600.db2.gz	UQQPBJCMADVZCT-UHFFFAOYSA-N	0	2	420.444	3.498	10	0		HGAELN
CC[C@H](C)Oc1ccc(-c2nnc(CCC(=O)NCC(C)C)c(=O)[nH]2)cc1OC	ZINC000034767018	557462434	/nfs/dbraw/zinc/46/24/34/557462434.db2.gz	SLJMLPCZDUCWSI-AWEZNQCLSA-N	0	2	402.495	3.135	10	0		HGAELN
Cn1c[nH+]c([C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)[O-])c1	ZINC000725262445	559170188	/nfs/dbraw/zinc/17/01/88/559170188.db2.gz	CRJANCMYFCWZSH-WOJBJXKFSA-N	0	2	417.465	3.469	10	0		HGAELN
O=C([O-])C[C@@H]1CCN(C(=O)c2cccnc2)C[C@@H]1CC1=[NH+]CCc2cc(F)ccc21	ZINC000049590587	291245033	/nfs/dbraw/zinc/24/50/33/291245033.db2.gz	DGVLVPNAXUQUDY-YJBOKZPZSA-N	0	2	409.461	3.209	10	0		HGAELN
CN(Cc1ccccc1)C(=O)c1ccc2c(c1)[nH]c(=S)n(C[C@@H]1CCCO1)c2=O	ZINC000003630201	568920970	/nfs/dbraw/zinc/92/09/70/568920970.db2.gz	LTZAIFYLSFOJNE-KRWDZBQOSA-N	0	2	409.511	3.136	10	0		HGAELN
CNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)CC1	ZINC000033115562	558761826	/nfs/dbraw/zinc/76/18/26/558761826.db2.gz	PHJLWDSIYZEMKO-UHFFFAOYSA-N	0	2	415.334	3.089	10	0		HGAELN