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+](C)(C)CC(C[N+](C)(C)C)OCc1ccccc1	ZINC000000501367	366355118	/nfs/dbraw/zinc/35/51/18/366355118.db2.gz	XGIVSJSMQGZZEO-UHFFFAOYSA-N	2	0	266.429	1.984	50	5		CDBARP
[NH3+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000035963422	360345454	/nfs/dbraw/zinc/34/54/54/360345454.db2.gz	HCSGVLAAANFYGH-UHFFFAOYSA-N	2	0	263.341	1.808	50	5		CDBARP
Cc1cc(OCCC[NH2+]CCN(C)C)ccc1[N+](=O)[O-]	ZINC000005049340	170060749	/nfs/dbraw/zinc/06/07/49/170060749.db2.gz	YEEUVCWBBXWMGL-UHFFFAOYSA-N	2	0	281.356	1.823	50	5		CDBARP
CN(C)C(=[NH2+])c1cc(C(=[NH2+])N(C)C)cc([N+](=O)[O-])c1	ZINC000004015695	169930266	/nfs/dbraw/zinc/93/02/66/169930266.db2.gz	ZMXVCLDZRNLTEX-UHFFFAOYSA-N	2	0	263.301	1.369	50	5		CDBARP
CC[N+](C)(CC)C[C@@H]1CO[C@@H](C[N+](C)(CC)CC)CO1	ZINC000000225655	169579998	/nfs/dbraw/zinc/57/99/98/169579998.db2.gz	FROPDBPURWDMRD-IYBDPMFKSA-N	2	0	288.476	1.743	50	5		CDBARP
CCNC(=[NH2+])c1cc(C(=[NH2+])NCC)cc([N+](=O)[O-])c1	ZINC000004015696	375843295	/nfs/dbraw/zinc/84/32/95/375843295.db2.gz	BLATZYCPSJELCY-UHFFFAOYSA-N	2	0	263.301	1.465	50	5		CDBARP
CC[N+](C)(CC)C[C@H]1CO[C@@H](C[N+](C)(CC)CC)CO1	ZINC000000225652	355897419	/nfs/dbraw/zinc/89/74/19/355897419.db2.gz	FROPDBPURWDMRD-HOTGVXAUSA-N	2	0	288.476	1.743	50	5		CDBARP
C[N+]1(CC(O)C[N+]2(C)CCCCC2)CCCCC1	ZINC000000028231	169508004	/nfs/dbraw/zinc/50/80/04/169508004.db2.gz	UWUCRETYSMMLDX-UHFFFAOYSA-N	2	0	256.434	1.608	50	5		CDBARP
O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCn1ccnc1)CC2	ZINC000097373840	356094782	/nfs/dbraw/zinc/09/47/82/356094782.db2.gz	DVQLHLMAIGOSLD-UHFFFAOYSA-N	2	0	273.296	1.245	50	5		CDBARP
Cc1c(NC(=O)CNCCC[NH+](C)C)cccc1[N+](=O)[O-]	ZINC000002649498	375285837	/nfs/dbraw/zinc/28/58/37/375285837.db2.gz	VNCHLVIFGAAAFX-UHFFFAOYSA-N	2	0	294.355	1.383	50	5		CDBARP
CC[N+](C)(CC)C[C@@H]1CO[C@H](C[N+](C)(CC)CC)CO1	ZINC000000225657	355897422	/nfs/dbraw/zinc/89/74/22/355897422.db2.gz	FROPDBPURWDMRD-HZPDHXFCSA-N	2	0	288.476	1.743	50	5		CDBARP