smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(N2C(=O)[C@H]3[C@@H](CC(N)=O)[NH2+][C@]4(c5ccccc5NC4=O)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000009320503	555095119	/nfs/dbraw/zinc/09/51/19/555095119.db2.gz	ZVKGSRZKGQUDRS-PXKCUTHRSA-N	1	1	479.449	0.712	40	5		JCBBMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3ccccc3NC2=O)c(C)cc1[N+](=O)[O-]	ZINC000035851614	569716358	/nfs/dbraw/zinc/71/63/58/569716358.db2.gz	ZVKGSRZKGQUDRS-CMMZHZMSSA-N	1	1	479.449	0.712	40	5		JCBBMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1([NH2+][C@H]2CC(N)=O)c2ccccc2NC1=O	ZINC000035851873	569716818	/nfs/dbraw/zinc/71/68/18/569716818.db2.gz	ZOYXZFQMZCDRLT-XVRHYDNXSA-N	1	1	465.422	0.404	40	5		JCBBMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](CC(N)=O)[NH2+][C@]3(c4ccccc4NC3=O)[C@@H]2C1=O	ZINC000035851874	569716726	/nfs/dbraw/zinc/71/67/26/569716726.db2.gz	ZOYXZFQMZCDRLT-VVSIHKJWSA-N	1	1	465.422	0.404	40	5		JCBBMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1([NH2+][C@H]2CC(N)=O)c2ccccc2NC1=O	ZINC000035889560	569721545	/nfs/dbraw/zinc/72/15/45/569721545.db2.gz	ABXKHLXFUDCSFK-XVRHYDNXSA-N	1	1	465.422	0.404	40	5		JCBBMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](CC(N)=O)[NH2+][C@]3(c4ccccc4NC3=O)[C@@H]2C1=O	ZINC000035889565	569721515	/nfs/dbraw/zinc/72/15/15/569721515.db2.gz	ABXKHLXFUDCSFK-VVSIHKJWSA-N	1	1	465.422	0.404	40	5		JCBBMO
O=c1c2cc3c(ccn(CCN4CCOCC4)c3=O)nc2ccn1CCC[NH+]1CCOCC1	ZINC000038829218	569808454	/nfs/dbraw/zinc/80/84/54/569808454.db2.gz	VDDUWSSYUBCYOE-UHFFFAOYSA-N	1	1	453.543	0.766	40	5		JCBBMO
COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2([NH2+][C@H]3CC(N)=O)c3ccccc3NC2=O)c(C)cc1[N+](=O)[O-]	ZINC000102560480	569814256	/nfs/dbraw/zinc/81/42/56/569814256.db2.gz	ZVKGSRZKGQUDRS-IMPXJYISSA-N	1	1	479.449	0.712	40	5		JCBBMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@]21c2ccccc2NC1=O	ZINC000102885441	130366128	/nfs/dbraw/zinc/36/61/28/130366128.db2.gz	ABXKHLXFUDCSFK-IYBGGQRXSA-N	1	1	465.422	0.404	40	5		JCBBMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@]21c2ccccc2NC1=O	ZINC000102890368	130371574	/nfs/dbraw/zinc/37/15/74/130371574.db2.gz	ZOYXZFQMZCDRLT-IYBGGQRXSA-N	1	1	465.422	0.404	40	5		JCBBMO