smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)/C=[NH+]\c1ccccc1CCc1ccccc1/[NH+]=C\N(C)C	ZINC000100353222	257232255	/nfs/dbraw/zinc/23/22/55/257232255.db2.gz	NGZRSVBRWXNFHL-BMJUYKDLSA-N	2	0	322.456	3.915	40	30		DHEBRP
CN(C)/C=[NH+]/c1ccc(CCc2ccc(/[NH+]=C/N(C)C)cc2)cc1	ZINC000013409624	563381428	/nfs/dbraw/zinc/38/14/28/563381428.db2.gz	SDRREGTVDWQBAI-YHARCJFQSA-N	2	0	322.456	3.915	40	30		DHEBRP
CC[C@@H]1C/C(=N\N=C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1	ZINC000004726720	181143152	/nfs/dbraw/zinc/14/31/52/181143152.db2.gz	QYTMPIKUPMGVRE-MQRKLRRUSA-N	2	0	306.498	3.665	40	30		DHEBRP
CN(C)/C=[NH+]/c1ccccc1CCc1ccccc1/[NH+]=C/N(C)C	ZINC000013409632	563381227	/nfs/dbraw/zinc/38/12/27/563381227.db2.gz	NGZRSVBRWXNFHL-YHARCJFQSA-N	2	0	322.456	3.915	40	30		DHEBRP
O=[N+](Cc1ccccc1)[C@H]1CCCC[C@@H]1[N+](=O)Cc1ccccc1	ZINC000002865139	563941140	/nfs/dbraw/zinc/94/11/40/563941140.db2.gz	WBADPGXFPLONRV-JINVSNJPSA-N	2	0	322.408	3.556	40	30		DHEBRP
CC[C@H]1C/C(=N\N=C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1	ZINC000004726721	181143018	/nfs/dbraw/zinc/14/30/18/181143018.db2.gz	QYTMPIKUPMGVRE-XXACCHKKSA-N	2	0	306.498	3.665	40	30		DHEBRP
CN(C)/C=[NH+]\c1ccc(CCc2ccc(/[NH+]=C\N(C)C)cc2)cc1	ZINC000100256590	257232081	/nfs/dbraw/zinc/23/20/81/257232081.db2.gz	SDRREGTVDWQBAI-BMJUYKDLSA-N	2	0	322.456	3.915	40	30		DHEBRP
C=CC[N+](CC=C)(CC=C)CC[N+](CC=C)(CC=C)CC=C	ZINC000005063743	181199115	/nfs/dbraw/zinc/19/91/15/181199115.db2.gz	IBUISDJFPPZILZ-UHFFFAOYSA-N	2	0	302.506	3.736	40	30		DHEBRP
COc1ccc(NC(CC[NH+]2CCCCC2)=[NH+]C(C)(C)C)cc1	ZINC000001572272	563285574	/nfs/dbraw/zinc/28/55/74/563285574.db2.gz	LIIVBLITRNFSJX-UHFFFAOYSA-N	2	0	317.477	3.989	40	30		DHEBRP
O=[N+](Cc1ccccc1)[C@@H]1CCCC[C@H]1[N+](=O)Cc1ccccc1	ZINC000016037351	526391041	/nfs/dbraw/zinc/39/10/41/526391041.db2.gz	WBADPGXFPLONRV-PBVSXRTBSA-N	2	0	322.408	3.556	40	30		DHEBRP
CN(C)/C=[NH+]/c1ccc(CCc2ccc(/[NH+]=C\N(C)C)cc2)cc1	ZINC000100256596	257232088	/nfs/dbraw/zinc/23/20/88/257232088.db2.gz	SDRREGTVDWQBAI-KBNZVFGVSA-N	2	0	322.456	3.915	40	30		DHEBRP
CN(C)/C=[NH+]/c1ccccc1CCc1ccccc1/[NH+]=C\N(C)C	ZINC000100353226	257232249	/nfs/dbraw/zinc/23/22/49/257232249.db2.gz	NGZRSVBRWXNFHL-KBNZVFGVSA-N	2	0	322.456	3.915	40	30		DHEBRP
CN(C)/C=[NH+]/c1ccccc1Cc1ccccc1/[NH+]=C\N(C)C	ZINC000100644018	563552434	/nfs/dbraw/zinc/55/24/34/563552434.db2.gz	OPQFBUBRNFNVIJ-TVGQLCNQSA-N	2	0	308.429	3.720	40	30		DHEBRP
CC[C@@H]1C/C(=N/N=C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1	ZINC000017315308	182082780	/nfs/dbraw/zinc/08/27/80/182082780.db2.gz	QYTMPIKUPMGVRE-OOHURIHSSA-N	2	0	306.498	3.665	40	30		DHEBRP
Nc1ccccc1/C=[NH+]/[C@@H]1CCCC[C@H]1/[NH+]=C/c1ccccc1N	ZINC000004235731	181086758	/nfs/dbraw/zinc/08/67/58/181086758.db2.gz	QPKIJWGFQMBQCQ-BSDFXCPASA-N	2	0	320.440	3.700	40	30		DHEBRP
CC[C@H]1C/C(=N/N=C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1	ZINC000017315311	182083032	/nfs/dbraw/zinc/08/30/32/182083032.db2.gz	QYTMPIKUPMGVRE-JLAKJRQNSA-N	2	0	306.498	3.665	40	30		DHEBRP