smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1C[C@](O)(C#C[C@]2(O)C[C@H](C)[NH+](C)C[C@@H]2C)[C@@H](C)C[N@H+]1C	ZINC000015319763	406880303	/nfs/dbraw/zinc/88/03/03/406880303.db2.gz	ZBZQUXUOLGJMQY-ZCVDQKGDSA-N	2	0	308.466	1.172	40	30		DDEBRP
C[C@@H]1C[C@](O)(C#C[C@]2(O)C[C@H](C)[NH+](C)C[C@@H]2C)[C@H](C)C[N@H+]1C	ZINC000004689511	406727198	/nfs/dbraw/zinc/72/71/98/406727198.db2.gz	ZBZQUXUOLGJMQY-COYYTBTLSA-N	2	0	308.466	1.172	40	30		DDEBRP
C[C@@H]1C[C@](O)(C#C[C@]2(O)C[C@H](C)[NH+](C)C[C@H]2C)[C@@H](C)C[N@H+]1C	ZINC000248164524	408540016	/nfs/dbraw/zinc/54/00/16/408540016.db2.gz	ZBZQUXUOLGJMQY-XFZGEKFBSA-N	2	0	308.466	1.172	40	30		DDEBRP
C[NH+](C)CCN1C(=O)C[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C#N)c1	ZINC000096183805	407244409	/nfs/dbraw/zinc/24/44/09/407244409.db2.gz	YNFATLFBKBESNQ-DLBZAZTESA-N	2	0	312.417	1.295	40	30		DDEBRP
N#[N+]CC(=O)c1cc(C(=O)C[N+]#N)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004265904	303218936	/nfs/dbraw/zinc/21/89/36/303218936.db2.gz	GUGFYYQZPPKVIO-UHFFFAOYSA-N	2	0	306.194	1.575	40	30		DDEBRP
[NH2+]=C(NCCc1ccccc1)NC(=[NH2+])NCCc1ccccc1	ZINC000199308201	354305158	/nfs/dbraw/zinc/30/51/58/354305158.db2.gz	DUEITVKHBUYICE-UHFFFAOYSA-N	2	0	309.417	1.691	40	30		DDEBRP
C[C@@H]1C[C@](O)(C#C[C@]2(O)C[C@H](C)[NH+](C)C[C@H]2C)[C@H](C)C[N@H+]1C	ZINC000248164522	408539289	/nfs/dbraw/zinc/53/92/89/408539289.db2.gz	ZBZQUXUOLGJMQY-OBRKIGFESA-N	2	0	308.466	1.172	40	30		DDEBRP
CC(C)NC(=[NH2+])NC(=[NH2+])NCCNc1cccc2cccnc21	ZINC000001684793	180887646	/nfs/dbraw/zinc/88/76/46/180887646.db2.gz	IIIBZGFELGUCJM-UHFFFAOYSA-N	2	0	313.409	1.274	40	30		DDEBRP
C[NH+](C)CCC(=O)C(=Cc1ccc(O)cc1)C(=O)CC[NH+](C)C	ZINC000001579204	406671881	/nfs/dbraw/zinc/67/18/81/406671881.db2.gz	MZIXAUGYHJEFFF-UHFFFAOYSA-N	2	0	318.417	1.817	40	30		DDEBRP