smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(N[C@H]2CCC(N)=O)c2ccccc2NC1=O	ZINC000008969505	554843251	/nfs/dbraw/zinc/84/32/51/554843251.db2.gz	WCIAQCABXJTKLA-NWBKIWMHSA-N	0	1	479.449	0.794	40	5		JCBBMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](CCC(N)=O)N[C@]3(c4ccccc4NC3=O)[C@@H]2C1=O	ZINC000008969506	554843218	/nfs/dbraw/zinc/84/32/18/554843218.db2.gz	WCIAQCABXJTKLA-GGNOIXCSSA-N	0	1	479.449	0.794	40	5		JCBBMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(N[C@H]2CCC(N)=O)c2ccccc2NC1=O	ZINC000009330124	555100543	/nfs/dbraw/zinc/10/05/43/555100543.db2.gz	CNKARZOIRSPSBG-NWBKIWMHSA-N	0	1	479.449	0.794	40	5		JCBBMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](CCC(N)=O)N[C@]3(c4ccccc4NC3=O)[C@@H]2C1=O	ZINC000009330125	555100584	/nfs/dbraw/zinc/10/05/84/555100584.db2.gz	CNKARZOIRSPSBG-GGNOIXCSSA-N	0	1	479.449	0.794	40	5		JCBBMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)N[C@]21c2ccccc2NC1=O	ZINC000035855624	569717005	/nfs/dbraw/zinc/71/70/05/569717005.db2.gz	CNKARZOIRSPSBG-TUAQQPIHSA-N	0	1	479.449	0.794	40	5		JCBBMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)N[C@]21c2ccccc2NC1=O	ZINC000035889791	569721721	/nfs/dbraw/zinc/72/17/21/569721721.db2.gz	WCIAQCABXJTKLA-TUAQQPIHSA-N	0	1	479.449	0.794	40	5		JCBBMN
COCc1nc(-n2ccc3nc4ccn(CCCN5CCOCC5)c(=O)c4cc3c2=O)n[nH]1	ZINC000040398987	569826220	/nfs/dbraw/zinc/82/62/20/569826220.db2.gz	VCUOFBIMMKOQCC-UHFFFAOYSA-N	0	1	451.487	0.687	40	5		JCBBMN
O=C(C1=C(O)C(=O)OC1[C@@H]1OC(=O)C(O)=C1C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000104247061	569844047	/nfs/dbraw/zinc/84/40/47/569844047.db2.gz	IPGYIDVVHAVPDX-GOFCXKROSA-N	0	1	496.340	0.790	40	5		JCBBMN
O=C(C1=C(O)C(=O)OC1[C@H]1OC(=O)C(O)=C1C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000104247061	569844046	/nfs/dbraw/zinc/84/40/46/569844046.db2.gz	IPGYIDVVHAVPDX-GOFCXKROSA-N	0	1	496.340	0.790	40	5		JCBBMN
O=C(C1=C(O)C(=O)OC1[C@H]1OC(=O)C(O)=C1C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000104247066	569844033	/nfs/dbraw/zinc/84/40/33/569844033.db2.gz	IPGYIDVVHAVPDX-FQZPYLGXSA-N	0	1	496.340	0.790	40	5		JCBBMN
O=C(C1=C(O)C(=O)OC1[C@@H]1OC(=O)C(O)=C1C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000104247066	569844032	/nfs/dbraw/zinc/84/40/32/569844032.db2.gz	IPGYIDVVHAVPDX-FQZPYLGXSA-N	0	1	496.340	0.790	40	5		JCBBMN
O=C(C1=C(O)C(=O)OC1[C@H]1OC(=O)C(O)=C1C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000104247071	569844080	/nfs/dbraw/zinc/84/40/80/569844080.db2.gz	IPGYIDVVHAVPDX-ILWKUFEGSA-N	0	1	496.340	0.790	40	5		JCBBMN
O=C(C1=C(O)C(=O)OC1[C@H]1OC(=O)C(O)=C1C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000104247075	569844017	/nfs/dbraw/zinc/84/40/17/569844017.db2.gz	IPGYIDVVHAVPDX-NSMLZSOPSA-N	0	1	496.340	0.790	40	5		JCBBMN
O=C(C1=C(O)C(=O)OC1[C@@H]1OC(=O)C(O)=C1C(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	ZINC000104271707	569844310	/nfs/dbraw/zinc/84/43/10/569844310.db2.gz	ROKGYYIXNIIKHG-GOFCXKROSA-N	0	1	496.340	0.790	40	5		JCBBMN
O=C(C1=C(O)C(=O)OC1[C@H]1OC(=O)C(O)=C1C(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	ZINC000104271707	569844309	/nfs/dbraw/zinc/84/43/09/569844309.db2.gz	ROKGYYIXNIIKHG-GOFCXKROSA-N	0	1	496.340	0.790	40	5		JCBBMN
O=C(C1=C(O)C(=O)OC1[C@H]1OC(=O)C(O)=C1C(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	ZINC000104271712	569844331	/nfs/dbraw/zinc/84/43/31/569844331.db2.gz	ROKGYYIXNIIKHG-FQZPYLGXSA-N	0	1	496.340	0.790	40	5		JCBBMN
O=C(C1=C(O)C(=O)OC1[C@@H]1OC(=O)C(O)=C1C(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	ZINC000104271712	569844330	/nfs/dbraw/zinc/84/43/30/569844330.db2.gz	ROKGYYIXNIIKHG-FQZPYLGXSA-N	0	1	496.340	0.790	40	5		JCBBMN
O=C(C1=C(O)C(=O)OC1[C@H]1OC(=O)C(O)=C1C(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	ZINC000104271717	569844334	/nfs/dbraw/zinc/84/43/34/569844334.db2.gz	ROKGYYIXNIIKHG-ILWKUFEGSA-N	0	1	496.340	0.790	40	5		JCBBMN
O=C(C1=C(O)C(=O)OC1[C@H]1OC(=O)C(O)=C1C(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	ZINC000104271722	569844412	/nfs/dbraw/zinc/84/44/12/569844412.db2.gz	ROKGYYIXNIIKHG-NSMLZSOPSA-N	0	1	496.340	0.790	40	5		JCBBMN