smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C)cc2ccc(-c3ccc4c(c3[O-])[C@@H](C)[NH2+][C@H](C)[C@@H]4O)c(O)c21	ZINC000030727987	291137709	/nfs/dbraw/zinc/13/77/09/291137709.db2.gz	NNCITNDNYQWFCU-ZNLKAECVSA-N	0	1	379.456	4.321	10	10	biogenic,in-vitro	GICEMN
Cc1c(Cl)cccc1-c1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)o1	ZINC000001178812	206363431	/nfs/dbraw/zinc/36/34/31/206363431.db2.gz	BAFOYBQEGQIKGA-SFQUDFHCSA-N	0	1	378.815	4.370	10	10		GICEMN
CN(C)Cc1cc2oc(C(F)(F)F)c(Oc3ccccc3)c(=O)c2cc1O	ZINC000005912733	570461505	/nfs/dbraw/zinc/46/15/05/570461505.db2.gz	UFBIHGBJNZAUDJ-UHFFFAOYSA-N	0	1	379.334	4.371	10	10		GICEMN
C[NH+](C)Cc1cc2oc(C(F)(F)F)c(Oc3ccccc3)c(=O)c2cc1[O-]	ZINC000005912733	570461508	/nfs/dbraw/zinc/46/15/08/570461508.db2.gz	UFBIHGBJNZAUDJ-UHFFFAOYSA-N	0	1	379.334	4.371	10	10		GICEMN
CC[NH+](CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000103108588	136190572	/nfs/dbraw/zinc/19/05/72/136190572.db2.gz	NDHQPJYMZNGNOZ-QGOAFFKASA-N	0	1	396.422	4.091	10	10		GICEMN
COc1cc(CO)c(-c2ccc3c(c2[O-])[C@@H](C)[NH2+][C@H](C)C3)c2cccc(O)c12	ZINC000004654686	560198918	/nfs/dbraw/zinc/19/89/18/560198918.db2.gz	ZQSUAGVTKAZDJV-CHWSQXEVSA-N	0	1	379.456	4.014	10	10	biogenic,in-vitro	GICEMN
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OCc3ccccc3)cc(O)c12	ZINC000077272836	208037594	/nfs/dbraw/zinc/03/75/94/208037594.db2.gz	NGOIESQGCUSOSC-UHFFFAOYSA-N	0	1	376.364	4.156	10	10	in-vitro	GICEMN
C[C@@H]1C[N@H+](Cc2c3onc(Cc4ccc(Cl)cc4)c3ccc2[O-])C[C@H](C)O1	ZINC000094993367	211216907	/nfs/dbraw/zinc/21/69/07/211216907.db2.gz	VNEASBADCUCSPH-OKILXGFUSA-N	0	1	386.879	4.387	10	10		GICEMN
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)ccc1O	ZINC000020458019	570259635	/nfs/dbraw/zinc/25/96/35/570259635.db2.gz	KXJAXAPJZLOCDE-JYRVWZFOSA-N	0	1	393.251	4.371	10	10		GICEMN