smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](Cc1cccs1)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1	ZINC000218298904	426567886	/nfs/dbraw/zinc/56/78/86/426567886.db2.gz	ORCIICCTRJAEAG-TXEJJXNPSA-N	2	2	317.462	2.511	50	70		DFIALP
C[N@@H+](Cc1cccs1)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1	ZINC000218298904	426567893	/nfs/dbraw/zinc/56/78/93/426567893.db2.gz	ORCIICCTRJAEAG-TXEJJXNPSA-N	2	2	317.462	2.511	50	70		DFIALP
C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cnc(-c3ccccc3)nc1)C2	ZINC000217193092	542876182	/nfs/dbraw/zinc/87/61/82/542876182.db2.gz	YAFYAFZKXIQCKX-BWTSREIZSA-N	2	2	322.456	2.916	50	70		DFIALP
C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cnc(-c3ccccc3)nc1)C2	ZINC000217193092	542876184	/nfs/dbraw/zinc/87/61/84/542876184.db2.gz	YAFYAFZKXIQCKX-BWTSREIZSA-N	2	2	322.456	2.916	50	70		DFIALP
CC(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1	ZINC000160795514	425996757	/nfs/dbraw/zinc/99/67/57/425996757.db2.gz	ZMTCZVDVLYYEKU-IEBWSBKVSA-N	2	2	317.477	2.697	50	70		DFIALP
Cc1cc(C[NH+]2CC(O)C2)c(C)c(C[N@H+]2CCCC[C@H]2C)c1	ZINC000216911983	426561515	/nfs/dbraw/zinc/56/15/15/426561515.db2.gz	KILVGPPRXKSCSS-OAHLLOKOSA-N	2	2	302.462	2.854	50	70		DFIALP
Cc1cc(C[NH+]2CC(O)C2)c(C)c(C[N@@H+]2CCCC[C@H]2C)c1	ZINC000216911983	426561520	/nfs/dbraw/zinc/56/15/20/426561520.db2.gz	KILVGPPRXKSCSS-OAHLLOKOSA-N	2	2	302.462	2.854	50	70		DFIALP
O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000160903813	426000057	/nfs/dbraw/zinc/00/00/57/426000057.db2.gz	HTDZSJPFZBFULJ-CQSZACIVSA-N	2	2	312.373	2.924	50	70		DFIALP
O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000160903813	426000060	/nfs/dbraw/zinc/00/00/60/426000060.db2.gz	HTDZSJPFZBFULJ-CQSZACIVSA-N	2	2	312.373	2.924	50	70		DFIALP
Nc1nc(NCCc2ccccc2Cl)cc(C2CC([NH3+])C2)[nH+]1	ZINC000218204450	426564804	/nfs/dbraw/zinc/56/48/04/426564804.db2.gz	SPQZHJJGAKAKIL-UHFFFAOYSA-N	2	2	317.824	2.572	50	70		DFIALP
Cc1cc(C[NH+]2CC(O)C2)c(C)c(C[N@H+]2CCCC[C@@H]2C)c1	ZINC000216911959	426562364	/nfs/dbraw/zinc/56/23/64/426562364.db2.gz	KILVGPPRXKSCSS-HNNXBMFYSA-N	2	2	302.462	2.854	50	70		DFIALP
Cc1cc(C[NH+]2CC(O)C2)c(C)c(C[N@@H+]2CCCC[C@@H]2C)c1	ZINC000216911959	426562368	/nfs/dbraw/zinc/56/23/68/426562368.db2.gz	KILVGPPRXKSCSS-HNNXBMFYSA-N	2	2	302.462	2.854	50	70		DFIALP
Cc1cccc(-n2cc(C[N@H+]3C[C@H]4CC[C@@H](C3)[C@H]4[NH+](C)C)cn2)c1	ZINC000217121658	563713422	/nfs/dbraw/zinc/71/34/22/563713422.db2.gz	QYJHQBBHCIZNGR-RUYXUALKSA-N	2	2	324.472	2.953	50	70		DFIALP
Cc1cccc(-n2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[C@H]4[NH+](C)C)cn2)c1	ZINC000217121658	563713427	/nfs/dbraw/zinc/71/34/27/563713427.db2.gz	QYJHQBBHCIZNGR-RUYXUALKSA-N	2	2	324.472	2.953	50	70		DFIALP
O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000160903967	426000498	/nfs/dbraw/zinc/00/04/98/426000498.db2.gz	HTDZSJPFZBFULJ-AWEZNQCLSA-N	2	2	312.373	2.924	50	70		DFIALP
O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000160903967	426000501	/nfs/dbraw/zinc/00/05/01/426000501.db2.gz	HTDZSJPFZBFULJ-AWEZNQCLSA-N	2	2	312.373	2.924	50	70		DFIALP
CC(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1	ZINC000160849354	425999473	/nfs/dbraw/zinc/99/94/73/425999473.db2.gz	NMNNHTGSGDIJQE-CRAIPNDOSA-N	2	2	303.450	2.701	50	70		DFIALP
CC(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1	ZINC000160907126	426001479	/nfs/dbraw/zinc/00/14/79/426001479.db2.gz	CIZOUONNYNFIFB-IEBWSBKVSA-N	2	2	317.477	2.697	50	70		DFIALP
O=c1cc(C[NH+]2CCCCCC2)oc(C[NH+]2CCCCC2)c1O	ZINC000218242270	426567571	/nfs/dbraw/zinc/56/75/71/426567571.db2.gz	BDSWQXONXFVOFL-UHFFFAOYSA-N	2	2	320.433	2.707	50	70		DFIALP
CC1CC[NH+](Cc2ccc(C(=O)N(C)Cc3[nH]cc[nH+]3)o2)CC1	ZINC000217037848	426563337	/nfs/dbraw/zinc/56/33/37/426563337.db2.gz	JZPYZLKQJYIKCU-UHFFFAOYSA-N	2	2	316.405	2.507	50	70		DFIALP
O=c1occ(C[NH+]2CCCCC2)c(O)c1C[NH+]1CCCCCC1	ZINC000218506209	426567806	/nfs/dbraw/zinc/56/78/06/426567806.db2.gz	ISUFHKJJRWJRTR-UHFFFAOYSA-N	2	2	320.433	2.707	50	70		DFIALP