smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-]	ZINC000252512124	424888373	/nfs/dbraw/zinc/88/83/73/424888373.db2.gz	MYEUNCHBJXROHE-KKUMJFAQSA-N	2	2	319.405	2.417	50	5		DEBALP
O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000095982347	402042278	/nfs/dbraw/zinc/04/22/78/402042278.db2.gz	BSSDWAPJVKYAFC-UHFFFAOYSA-N	2	2	314.345	2.018	50	5		DEBALP
CC[NH+]1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC000004007872	401725593	/nfs/dbraw/zinc/72/55/93/401725593.db2.gz	SAXFKNGVUPAISH-UHFFFAOYSA-N	2	2	318.421	2.201	50	5		DEBALP
Cc1c(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-]	ZINC000096424607	402083530	/nfs/dbraw/zinc/08/35/30/402083530.db2.gz	WUGDHHXPXUSOFV-HNNXBMFYSA-N	2	2	319.405	2.057	50	5		DEBALP
Cc1c(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-]	ZINC000096424607	402083531	/nfs/dbraw/zinc/08/35/31/402083531.db2.gz	WUGDHHXPXUSOFV-HNNXBMFYSA-N	2	2	319.405	2.057	50	5		DEBALP
O=[N+]([O-])c1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1	ZINC000089884966	401970440	/nfs/dbraw/zinc/97/04/40/401970440.db2.gz	MMRJGOQEBMRHNZ-UHFFFAOYSA-N	2	2	304.375	2.374	50	5		DEBALP
Cc1cc(NCC[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000095352980	402026653	/nfs/dbraw/zinc/02/66/53/402026653.db2.gz	CEBCWRFLKPQGGL-UHFFFAOYSA-N	2	2	301.350	2.334	50	5		DEBALP
[NH3+][C@H](c1ccc([N+](=O)[O-])cc1)[C@H]([NH3+])c1ccc([N+](=O)[O-])cc1	ZINC000095532365	402034091	/nfs/dbraw/zinc/03/40/91/402034091.db2.gz	XXBNXRXPIYAHOW-ZIAGYGMSSA-N	2	2	302.290	2.203	50	5		DEBALP
Cc1c([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-]	ZINC000095967708	402038650	/nfs/dbraw/zinc/03/86/50/402038650.db2.gz	MYEUNCHBJXROHE-ZNMIVQPWSA-N	2	2	319.405	2.417	50	5		DEBALP
Cc1c([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-]	ZINC000095967708	402038651	/nfs/dbraw/zinc/03/86/51/402038651.db2.gz	MYEUNCHBJXROHE-ZNMIVQPWSA-N	2	2	319.405	2.417	50	5		DEBALP
Cc1c([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-]	ZINC000252512125	424888328	/nfs/dbraw/zinc/88/83/28/424888328.db2.gz	MYEUNCHBJXROHE-SOUVJXGZSA-N	2	2	319.405	2.417	50	5		DEBALP
[NH3+][C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]([NH3+])c1ccc([N+](=O)[O-])cc1	ZINC000029786517	401859394	/nfs/dbraw/zinc/85/93/94/401859394.db2.gz	XXBNXRXPIYAHOW-KBPBESRZSA-N	2	2	302.290	2.203	50	5		DEBALP
COc1cc(C[N@H+](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC	ZINC000022591615	182327551	/nfs/dbraw/zinc/32/75/51/182327551.db2.gz	VRTTUTPPHDBJFL-UHFFFAOYSA-N	2	2	323.393	2.138	50	5		DEBALP
COc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC	ZINC000022591615	182327552	/nfs/dbraw/zinc/32/75/52/182327552.db2.gz	VRTTUTPPHDBJFL-UHFFFAOYSA-N	2	2	323.393	2.138	50	5		DEBALP
Cc1c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-]	ZINC000096424606	402083584	/nfs/dbraw/zinc/08/35/84/402083584.db2.gz	WUGDHHXPXUSOFV-OAHLLOKOSA-N	2	2	319.405	2.057	50	5		DEBALP
Cc1c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-]	ZINC000096424606	402083588	/nfs/dbraw/zinc/08/35/88/402083588.db2.gz	WUGDHHXPXUSOFV-OAHLLOKOSA-N	2	2	319.405	2.057	50	5		DEBALP
O=[N+]([O-])c1ccc(OC2CC[NH+](CCn3cc[nH+]c3)CC2)cc1	ZINC000131528576	196176991	/nfs/dbraw/zinc/17/69/91/196176991.db2.gz	RTCIOUBWJJHLFT-UHFFFAOYSA-N	2	2	316.361	2.335	50	5		DEBALP
CCC[NH+]1CCC([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1	ZINC000061016352	184159768	/nfs/dbraw/zinc/15/97/68/184159768.db2.gz	VPEMFOHYTOMHFE-UHFFFAOYSA-N	2	2	321.377	2.288	50	5		DEBALP
Cc1c([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-]	ZINC000095967706	402038270	/nfs/dbraw/zinc/03/82/70/402038270.db2.gz	MYEUNCHBJXROHE-RRFJBIMHSA-N	2	2	319.405	2.417	50	5		DEBALP
Cc1c([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-]	ZINC000095967706	402038271	/nfs/dbraw/zinc/03/82/71/402038271.db2.gz	MYEUNCHBJXROHE-RRFJBIMHSA-N	2	2	319.405	2.417	50	5		DEBALP