smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2oc(=O)c3c(OC)cc(CN(C)C)c4oc(=O)c1c2c43	ZINC000069482509	291063098	/nfs/dbraw/zinc/06/30/98/291063098.db2.gz	RKEBJJCZAOFMLH-UHFFFAOYSA-N	0	1	355.346	2.569	1	5	biogenic,in-vitro	FFBFMN
CC1=NC(=S)N[C@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OC1CCCC1	ZINC000036185152	205006449	/nfs/dbraw/zinc/00/64/49/205006449.db2.gz	QPCHBZQNLODOBU-OAHLLOKOSA-N	0	1	361.423	2.873	1	5		FFBFMN
COc1cccc([C@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)c1	ZINC000005488215	204210824	/nfs/dbraw/zinc/21/08/24/204210824.db2.gz	VEMQQOYMUODDMI-KRWDZBQOSA-N	0	1	353.378	2.891	3	5		FFBFMN
O=C1NC(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1	ZINC000045350414	208331338	/nfs/dbraw/zinc/33/13/38/208331338.db2.gz	NQPSWIKWJRPNPV-SXGWCWSVSA-N	0	1	362.345	2.778	1	5		FFBFMN
CN1CCN(CCCOc2ccc3c(c2)oc2ccccc2c3=O)CC1	ZINC000071297006	221341419	/nfs/dbraw/zinc/34/14/19/221341419.db2.gz	MQURARBVAFPGBT-UHFFFAOYSA-N	0	1	352.434	2.963	1	5		FFBFMN
COc1ccc([C@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)cc1	ZINC000005488199	204210443	/nfs/dbraw/zinc/21/04/43/204210443.db2.gz	HIJKYNRPWPXDBH-KRWDZBQOSA-N	0	1	353.378	2.891	3	5		FFBFMN
O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(F)cc1)C([N+](=O)[O-])[C@@H]1CCCN12	ZINC000169322057	206250871	/nfs/dbraw/zinc/25/08/71/206250871.db2.gz	GMYLZTVKXGTHHR-HLNWXESRSA-N	0	1	367.380	2.880	1	5		FFBFMN
O=[N+]([O-])c1cc(O)c2c(c1)S(=O)(=O)N=C(Nc1ccccc1Cl)N2	ZINC000006718562	207155736	/nfs/dbraw/zinc/15/57/36/207155736.db2.gz	MXDWNZUMSIYAFL-UHFFFAOYSA-N	0	1	368.758	2.536	1	5		FFBFMN
O=C(Nc1nc2ccccc2n1C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1	ZINC000036184973	208148607	/nfs/dbraw/zinc/14/86/07/208148607.db2.gz	MDRTXGAXFNLXEX-OAHLLOKOSA-N	0	1	366.377	2.798	1	5		FFBFMN
COc1ccc(-c2[nH][nH]c(=O)c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000095567854	209079949	/nfs/dbraw/zinc/07/99/49/209079949.db2.gz	VWQAJCYKXGKORL-UHFFFAOYSA-N	0	1	354.322	2.951	3	5		FFBFMN
O=C(Nc1nc2ccccc2n1C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1	ZINC000036184972	208148299	/nfs/dbraw/zinc/14/82/99/208148299.db2.gz	MDRTXGAXFNLXEX-HNNXBMFYSA-N	0	1	366.377	2.798	1	5		FFBFMN
CN(C)CCn1cc2c3c1-c1ccccc1S(=O)(=O)c3ccc2[N+](=O)[O-]	ZINC000071335198	221344001	/nfs/dbraw/zinc/34/40/01/221344001.db2.gz	OHCGIXPURHLVKI-UHFFFAOYSA-N	0	1	371.418	2.924	1	5		FFBFMN
CSCC[C@@H](CN1CC=CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000013816968	220096734	/nfs/dbraw/zinc/09/67/34/220096734.db2.gz	OLNSWTBRBQOKQM-KRWDZBQOSA-N	0	1	363.483	2.589	1	5		FFBFMN