smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1-c1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n(C)n1	ZINC000217922901	208831943	/nfs/dbraw/zinc/83/19/43/208831943.db2.gz	OJCSZXRGAQMWEK-QFBILLFUSA-N	1	0	382.508	3.090	50	70	biogenic	GGIARO
COc1ccc(-n2ncc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2C)cc1	ZINC000217660290	209186083	/nfs/dbraw/zinc/18/60/83/209186083.db2.gz	VFDCJOLMWUQVJV-LAUBAEHRSA-N	1	0	382.508	3.184	50	70	biogenic	GGIARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1	ZINC000217906211	209185694	/nfs/dbraw/zinc/18/56/94/209185694.db2.gz	ZYZUPOYQAQQFRW-FRQCXROJSA-N	1	0	389.927	3.074	50	70	biogenic	GGIARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	ZINC000217706541	209185482	/nfs/dbraw/zinc/18/54/82/209185482.db2.gz	HSWGZGRXERJQHR-FRQCXROJSA-N	1	0	389.927	3.074	50	70	biogenic	GGIARO
CC[C@H](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1Cc2ccccc2C1=O	ZINC000217761327	209183540	/nfs/dbraw/zinc/18/35/40/209183540.db2.gz	HANDTSCJNTVQLR-MOXQZVSFSA-N	1	0	397.563	3.438	50	70	biogenic	GGIARO
COc1ccc(OC)c2c1cc(C(=O)NC[C@@H]1CCC[N@@H+]3CCCC[C@H]13)n2C	ZINC000217745641	211753041	/nfs/dbraw/zinc/75/30/41/211753041.db2.gz	BEKFPQCMQDPWQD-DOTOQJQBSA-N	1	0	385.508	3.190	50	70	biogenic	GGIARO
COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(OC)c1	ZINC000217733289	212112996	/nfs/dbraw/zinc/11/29/96/212112996.db2.gz	YUXAODGCWGZBGA-HNAYVOBHSA-N	1	0	398.507	3.088	50	70	biogenic	GGIARO
Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[nH]n1	ZINC000217803952	212112725	/nfs/dbraw/zinc/11/27/25/212112725.db2.gz	TWUMQFHYDVBGEA-FXAWDEMLSA-N	1	0	398.555	3.465	50	70	biogenic	GGIARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1	ZINC000217906305	212112189	/nfs/dbraw/zinc/11/21/89/212112189.db2.gz	ZYZUPOYQAQQFRW-TXPKVOOTSA-N	1	0	389.927	3.074	50	70	biogenic	GGIARO
O=c1cc(C[NH+]2CCCCCC2)oc(CN2CCN(c3ccccc3)CC2)c1O	ZINC000218148640	136203540	/nfs/dbraw/zinc/20/35/40/136203540.db2.gz	ATXBRVXFCXTEKC-UHFFFAOYSA-N	1	0	397.519	3.044	50	70		GGIARO
Cc1nnc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)[nH]1	ZINC000217022689	570311534	/nfs/dbraw/zinc/31/15/34/570311534.db2.gz	LHTKKYQOFQJXHQ-HNNXBMFYSA-N	1	0	375.476	3.162	50	70		GGIARO
CC[C@H](NC(=O)C[NH+]1CCC(c2ccccc2)CC1)c1cn2cccnc2n1	ZINC000217465836	570316612	/nfs/dbraw/zinc/31/66/12/570316612.db2.gz	BVZIRGVTCPIFNY-IBGZPJMESA-N	1	0	377.492	3.176	50	70		GGIARO
COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[nH]n2)c1	ZINC000217764286	570321214	/nfs/dbraw/zinc/32/12/14/570321214.db2.gz	JEDHFMAFNADSEX-MGPUTAFESA-N	1	0	398.507	3.088	50	70	biogenic	GGIARO
Cc1ccc(C(F)(F)F)cc1C(=O)N1CCC(CO)(C[NH+]2CCCC2)CC1	ZINC000218190789	570327532	/nfs/dbraw/zinc/32/75/32/570327532.db2.gz	KDBYRMAPMRLVCC-UHFFFAOYSA-N	1	0	384.442	3.324	50	70		GGIARO
CN(Cc1ccccc1)C(=O)COc1coc(C[NH+]2CCCCCC2)cc1=O	ZINC000218252398	570329274	/nfs/dbraw/zinc/32/92/74/570329274.db2.gz	NPBPLAPUSOZZFL-UHFFFAOYSA-N	1	0	384.476	3.053	50	70		GGIARO
Cc1cc(CN2Cc3cnn(CCO)c3C2)c(C)c(C[N@H+]2CCC[C@@H](C)C2)c1	ZINC000217528944	570317763	/nfs/dbraw/zinc/31/77/63/570317763.db2.gz	RDIFRFKOCSYQOM-QGZVFWFLSA-N	1	0	382.552	3.240	50	70		GGIARO
Cc1cc(C)cc(CSCC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1	ZINC000218260860	570329146	/nfs/dbraw/zinc/32/91/46/570329146.db2.gz	XZSMFTFKHILUDR-LJQANCHMSA-N	1	0	376.566	3.107	50	70		GGIARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccccc2Cl)C1	ZINC000217798257	209186061	/nfs/dbraw/zinc/18/60/61/209186061.db2.gz	COHMKRIXOONGBH-XYJFISCASA-N	1	0	389.927	3.074	50	70	biogenic	GGIARO
COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000218126619	209184643	/nfs/dbraw/zinc/18/46/43/209184643.db2.gz	UJMWPLSXRAZJAY-OXJNMPFZSA-N	1	0	394.519	3.178	50	70	biogenic	GGIARO
Cc1cc(C)cc(CSCC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1	ZINC000218260806	570328973	/nfs/dbraw/zinc/32/89/73/570328973.db2.gz	XZSMFTFKHILUDR-IBGZPJMESA-N	1	0	376.566	3.107	50	70		GGIARO
Cc1nnc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)[nH]1	ZINC000217022651	570311456	/nfs/dbraw/zinc/31/14/56/570311456.db2.gz	LHTKKYQOFQJXHQ-OAHLLOKOSA-N	1	0	375.476	3.162	50	70		GGIARO
CC[C@@H](NC(=O)C[NH+]1CCC(c2ccccc2)CC1)c1cn2cccnc2n1	ZINC000217465750	570316730	/nfs/dbraw/zinc/31/67/30/570316730.db2.gz	BVZIRGVTCPIFNY-LJQANCHMSA-N	1	0	377.492	3.176	50	70		GGIARO
CN(CCc1nc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000218750043	570340303	/nfs/dbraw/zinc/34/03/03/570340303.db2.gz	FLSASQPCFCEADX-FQEVSTJZSA-N	1	0	380.467	3.368	50	70		GGIARO