smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(Cc1cccc([N+](=O)[O-])c1)Cc1cccc2ccccc21	ZINC000004986309	181185114	/nfs/dbraw/zinc/18/51/14/181185114.db2.gz	JNQVZCOEIGDXQX-UHFFFAOYSA-N	0	3	306.365	4.380	50	5		DIBAHN
CSC[C@H]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1	ZINC000253433115	563925738	/nfs/dbraw/zinc/92/57/38/563925738.db2.gz	SFGNNXDNCILICZ-KBPBESRZSA-N	0	3	308.447	4.039	50	5		DIBAHN
CSC[C@@H]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1	ZINC000253433117	563925741	/nfs/dbraw/zinc/92/57/41/563925741.db2.gz	SFGNNXDNCILICZ-UONOGXRCSA-N	0	3	308.447	4.039	50	5		DIBAHN
CCOc1ccc([N+](=O)[O-])cc1CNC1CCCCCCC1	ZINC000004820572	181156590	/nfs/dbraw/zinc/15/65/90/181156590.db2.gz	RHYXKVVALUUMJH-UHFFFAOYSA-N	0	3	306.406	4.196	50	5		DIBAHN
Cc1[nH]c2c3ccccc3ccc2c(=O)c1CN1CCCCC1	ZINC000008700856	563949856	/nfs/dbraw/zinc/94/98/56/563949856.db2.gz	PNKVJIYSCZMZRE-UHFFFAOYSA-N	0	3	306.409	4.388	50	5		DIBAHN
Cc1c(CN(Cc2ccco2)C2CCCC2)cccc1[N+](=O)[O-]	ZINC000070022032	563955767	/nfs/dbraw/zinc/95/57/67/563955767.db2.gz	VAHGKYUDKPOTCA-UHFFFAOYSA-N	0	3	314.385	4.441	50	5		DIBAHN
O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H]2CCCC[C@@H]21	ZINC000004989034	181185853	/nfs/dbraw/zinc/18/58/53/181185853.db2.gz	SOUCLYRTNZEQAC-WFASDCNBSA-N	0	3	308.809	4.403	50	5		DIBAHN
O=[N+]([O-])c1ccccc1-c1ccc(CN2CCCCCC2)o1	ZINC000000214704	563577951	/nfs/dbraw/zinc/57/79/51/563577951.db2.gz	DXWQKJVFKPXAHE-UHFFFAOYSA-N	0	3	300.358	4.231	50	5		DIBAHN
O=[N+]([O-])c1ccc(CNC2(c3ccc(Cl)cc3)CCC2)cc1	ZINC000089787893	563911302	/nfs/dbraw/zinc/91/13/02/563911302.db2.gz	DIHIVQDGYOFNGG-UHFFFAOYSA-N	0	3	316.788	4.417	50	5		DIBAHN
O=[N+]([O-])c1ccccc1CN1CCC2(C=Cc3ccccc32)CC1	ZINC000000217206	1047310277	/nfs/dbraw/zinc/31/02/77/1047310277.db2.gz	OCKPUGVIXBRMCB-UHFFFAOYSA-N	0	3	320.392	4.155	50	5		DIBAHN
CC1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1	ZINC000005193878	181215689	/nfs/dbraw/zinc/21/56/89/181215689.db2.gz	QKTSAYHGKPREBM-UHFFFAOYSA-N	0	3	307.393	4.178	50	5		DIBAHN
CN1CCN(Cc2c3ccccc3c(Cl)c3ccccc32)CC1	ZINC000019634442	182134295	/nfs/dbraw/zinc/13/42/95/182134295.db2.gz	BPRKVTDJKDPTOA-UHFFFAOYSA-N	0	3	324.855	4.394	50	5		DIBAHN
O=[N+]([O-])c1cc(CN2CCC[C@H]2CCc2ccccc2)cs1	ZINC000084528477	563827689	/nfs/dbraw/zinc/82/76/89/563827689.db2.gz	CVXLJGANTSMEQG-INIZCTEOSA-N	0	3	316.426	4.254	50	5		DIBAHN
CCN1CCN(Cc2c3ccccc3cc3ccccc32)CC1	ZINC000019633009	563416446	/nfs/dbraw/zinc/41/64/46/563416446.db2.gz	QYMHHDJGISJEQN-UHFFFAOYSA-N	0	3	304.437	4.131	50	5		DIBAHN
O=[N+]([O-])c1ccccc1CN1CCC(Cc2ccccc2)CC1	ZINC000000237946	563579535	/nfs/dbraw/zinc/57/95/35/563579535.db2.gz	FIVGAYJMVBFJSD-UHFFFAOYSA-N	0	3	310.397	4.050	50	5		DIBAHN
CCN(CC)CCSc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000072301758	191115766	/nfs/dbraw/zinc/11/57/66/191115766.db2.gz	MRGCCQOBPRZNNO-UHFFFAOYSA-N	0	3	322.352	4.048	50	5		DIBAHN
O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H]2CCCC[C@@H]21	ZINC000004989033	181186159	/nfs/dbraw/zinc/18/61/59/181186159.db2.gz	SOUCLYRTNZEQAC-DOMZBBRYSA-N	0	3	308.809	4.403	50	5		DIBAHN
O=[N+]([O-])c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	ZINC000000239727	563579890	/nfs/dbraw/zinc/57/98/90/563579890.db2.gz	XMDDGLDGPJZGSI-UHFFFAOYSA-N	0	3	310.397	4.050	50	5		DIBAHN
O=c1cc(CN2CCCCCC2)c2c(ccc3ccccc32)o1	ZINC000000545270	563669486	/nfs/dbraw/zinc/66/94/86/563669486.db2.gz	HUNRIIUQSDZAKR-UHFFFAOYSA-N	0	3	307.393	4.322	50	5	biogenic	DIBAHN
CSC[C@@H]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1	ZINC000253433118	563925744	/nfs/dbraw/zinc/92/57/44/563925744.db2.gz	SFGNNXDNCILICZ-ZIAGYGMSSA-N	0	3	308.447	4.039	50	5		DIBAHN
O=[N+]([O-])c1cccc(CN2CCC(Cc3ccccc3)CC2)c1	ZINC000004990207	181186119	/nfs/dbraw/zinc/18/61/19/181186119.db2.gz	KNUMSOFBNCPLQD-UHFFFAOYSA-N	0	3	310.397	4.050	50	5		DIBAHN
CSC[C@H]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1	ZINC000253433116	563925717	/nfs/dbraw/zinc/92/57/17/563925717.db2.gz	SFGNNXDNCILICZ-KGLIPLIRSA-N	0	3	308.447	4.039	50	5		DIBAHN
O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H]2CCCC[C@H]21	ZINC000229912620	563370700	/nfs/dbraw/zinc/37/07/00/563370700.db2.gz	SOUCLYRTNZEQAC-SWLSCSKDSA-N	0	3	308.809	4.403	50	5		DIBAHN
CN(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc2ccccc21	ZINC000004986489	181184813	/nfs/dbraw/zinc/18/48/13/181184813.db2.gz	HNOXDWSRWZVESH-UHFFFAOYSA-N	0	3	306.365	4.380	50	5		DIBAHN
O=[N+]([O-])c1cc(CN2CCC[C@@H]2CCc2ccccc2)cs1	ZINC000084528479	563827651	/nfs/dbraw/zinc/82/76/51/563827651.db2.gz	CVXLJGANTSMEQG-MRXNPFEDSA-N	0	3	316.426	4.254	50	5		DIBAHN
CN1CCN(Cc2ccc3ccc4cccc5ccc2c3c45)CC1	ZINC000019635159	182134194	/nfs/dbraw/zinc/13/41/94/182134194.db2.gz	RTUSWPYNUDLJCK-UHFFFAOYSA-N	0	3	314.432	4.331	50	5		DIBAHN
O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H]2CCCC[C@H]21	ZINC000229912627	563370919	/nfs/dbraw/zinc/37/09/19/563370919.db2.gz	SOUCLYRTNZEQAC-IUODEOHRSA-N	0	3	308.809	4.403	50	5		DIBAHN
c1ccc2c(c1)nc1c3ccccc3nc(CN3CCCCC3)n21	ZINC000000506154	563656846	/nfs/dbraw/zinc/65/68/46/563656846.db2.gz	HWMHNDMGBOYMBQ-UHFFFAOYSA-N	0	3	316.408	4.022	50	5		DIBAHN