smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc([C@@H]([NH3+])C[NH3+])c1[N+](=O)[O-]	72200444	573798887	/nfs/dbraw/zinc/79/88/87/573798887.db2.gz	DWAIXDZSZSUDOH-QMMMGPOBSA-N	2	2	195.222	0.862	10	5		ACBELP
Cc1cc([N+](=O)[O-])ccc1[C@@H]([NH3+])C[NH3+]	72200458	573799234	/nfs/dbraw/zinc/79/92/34/573799234.db2.gz	WLUWXGSIZOLDMN-VIFPVBQESA-N	2	2	195.222	0.862	10	5		ACBELP
CC(C)OC(=O)CC[NH2+][N+](C)(C)C	382694509	571941721	/nfs/dbraw/zinc/94/17/21/571941721.db2.gz	KFZLQGIKBXNDFN-UHFFFAOYSA-N	2	2	189.279	0.539	10	5		ACBELP
[NH3+]CCC[NH2+]Cc1ccc([N+](=O)[O-])o1	37713710	572179556	/nfs/dbraw/zinc/17/95/56/572179556.db2.gz	JWBVMOTYPDJQDB-UHFFFAOYSA-N	2	2	199.210	0.626	10	5		ACBELP
[NH3+]CC[NH2+]Cc1cccc([N+](=O)[O-])c1	37712615	572180591	/nfs/dbraw/zinc/18/05/91/572180591.db2.gz	SPSXFJLYRZSJJM-UHFFFAOYSA-N	2	2	195.222	0.643	10	5		ACBELP
Cc1cc([C@@H]([NH3+])C[NH3+])ccc1[N+](=O)[O-]	238512888	573777397	/nfs/dbraw/zinc/77/73/97/573777397.db2.gz	HPHCGGUFFDBSLR-QMMMGPOBSA-N	2	2	195.222	0.862	10	5		ACBELP
Cc1ccc([C@@H]([NH3+])C[NH3+])c([N+](=O)[O-])c1	72200454	573796633	/nfs/dbraw/zinc/79/66/33/573796633.db2.gz	FVKYMRNHROOUGM-QMMMGPOBSA-N	2	2	195.222	0.862	10	5		ACBELP
Cc1c([C@@H]([NH3+])C[NH3+])cccc1[N+](=O)[O-]	72200446	573797062	/nfs/dbraw/zinc/79/70/62/573797062.db2.gz	YCBCVWTVUBZOBV-QMMMGPOBSA-N	2	2	195.222	0.862	10	5		ACBELP
Cc1cccc([C@H]([NH3+])C[NH3+])c1[N+](=O)[O-]	72200443	573797545	/nfs/dbraw/zinc/79/75/45/573797545.db2.gz	DWAIXDZSZSUDOH-MRVPVSSYSA-N	2	2	195.222	0.862	10	5		ACBELP
Cc1ccc([N+](=O)[O-])cc1[C@H]([NH3+])C[NH3+]	72200451	573798206	/nfs/dbraw/zinc/79/82/06/573798206.db2.gz	MLVQIJBSOPEUOP-SECBINFHSA-N	2	2	195.222	0.862	10	5		ACBELP
Cc1cc([C@H]([NH3+])C[NH3+])ccc1[N+](=O)[O-]	238523441	573822044	/nfs/dbraw/zinc/82/20/44/573822044.db2.gz	HPHCGGUFFDBSLR-MRVPVSSYSA-N	2	2	195.222	0.862	10	5		ACBELP
CCC[N@@H+](CC)CC[N+](C)(C)[NH3+]	38611751	343189815	/nfs/dbraw/zinc/18/98/15/343189815.db2.gz	XQBWNRMUGYGZLM-UHFFFAOYSA-N	3	2	174.312	0.668	10	5		ACBELP
C[N+](C)(C)CCc1c[nH]c[nH+]1	205296366	168691925	/nfs/dbraw/zinc/69/19/25/168691925.db2.gz	SRANXDVUQSKKNX-UHFFFAOYSA-N	2	2	154.237	0.658	10	5		ACBELP
[NH3+]C[C@@H]([NH3+])c1ccc(F)c([N+](=O)[O-])c1	72200547	169202513	/nfs/dbraw/zinc/20/25/13/169202513.db2.gz	COZOTZTWMOZQGK-SSDOTTSWSA-N	2	2	199.185	0.692	10	5		ACBELP
Nc1c([C@H]([NH3+])C[NH3+])cccc1[N+](=O)[O-]	72200473	169203077	/nfs/dbraw/zinc/20/30/77/169203077.db2.gz	FNBSNUJLTWGNSM-ZCFIWIBFSA-N	2	2	196.210	0.136	10	5		ACBELP
[NH3+]C[C@@H]([NH3+])c1ccc(F)cc1[N+](=O)[O-]	72200551	169203289	/nfs/dbraw/zinc/20/32/89/169203289.db2.gz	SXYYQSGVQKNUIH-SSDOTTSWSA-N	2	2	199.185	0.692	10	5		ACBELP
[NH3+]C[C@@H]([NH3+])c1ccccc1[N+](=O)[O-]	39381745	169203513	/nfs/dbraw/zinc/20/35/13/169203513.db2.gz	WXAACSNXQOIEJI-SSDOTTSWSA-N	2	2	181.195	0.553	10	5		ACBELP
[NH3+]C[C@@H]([NH3+])c1ccc([N+](=O)[O-])cc1	39381743	169203541	/nfs/dbraw/zinc/20/35/41/169203541.db2.gz	BYALHBZEFGNYOW-MRVPVSSYSA-N	2	2	181.195	0.553	10	5		ACBELP
[NH3+]C[C@@H]([NH3+])c1cccc([N+](=O)[O-])c1	72200160	169203565	/nfs/dbraw/zinc/20/35/65/169203565.db2.gz	OEQWGKADTXZFPF-MRVPVSSYSA-N	2	2	181.195	0.553	10	5		ACBELP
[NH3+]C[C@@H]([NH3+])c1ccc([N+](=O)[O-])cc1F	72200549	169203700	/nfs/dbraw/zinc/20/37/00/169203700.db2.gz	CYCMQHRBYAWWHE-MRVPVSSYSA-N	2	2	199.185	0.692	10	5		ACBELP
Nc1cc([N+](=O)[O-])ccc1[C@H]([NH3+])C[NH3+]	72200471	169203848	/nfs/dbraw/zinc/20/38/48/169203848.db2.gz	MXIMFMXUZLHHFI-MRVPVSSYSA-N	2	2	196.210	0.136	10	5		ACBELP
Nc1ccc([C@H]([NH3+])C[NH3+])cc1[N+](=O)[O-]	72200475	169203906	/nfs/dbraw/zinc/20/39/06/169203906.db2.gz	VPGCIXDMHWQRLP-SSDOTTSWSA-N	2	2	196.210	0.136	10	5		ACBELP
[NH3+]C[C@H]([NH3+])c1cccc([N+](=O)[O-])c1	72200159	169212349	/nfs/dbraw/zinc/21/23/49/169212349.db2.gz	OEQWGKADTXZFPF-QMMMGPOBSA-N	2	2	181.195	0.553	10	5		ACBELP
Nc1c([C@@H]([NH3+])C[NH3+])cccc1[N+](=O)[O-]	72200474	169212555	/nfs/dbraw/zinc/21/25/55/169212555.db2.gz	FNBSNUJLTWGNSM-LURJTMIESA-N	2	2	196.210	0.136	10	5		ACBELP
[NH3+]C[C@H]([NH3+])c1ccc(F)cc1[N+](=O)[O-]	72200552	169212627	/nfs/dbraw/zinc/21/26/27/169212627.db2.gz	SXYYQSGVQKNUIH-ZETCQYMHSA-N	2	2	199.185	0.692	10	5		ACBELP
[NH3+]C[C@H]([NH3+])c1ccc([N+](=O)[O-])cc1F	72200550	169212679	/nfs/dbraw/zinc/21/26/79/169212679.db2.gz	CYCMQHRBYAWWHE-QMMMGPOBSA-N	2	2	199.185	0.692	10	5		ACBELP
[NH3+]C[C@H]([NH3+])c1ccccc1[N+](=O)[O-]	39381746	169213091	/nfs/dbraw/zinc/21/30/91/169213091.db2.gz	WXAACSNXQOIEJI-ZETCQYMHSA-N	2	2	181.195	0.553	10	5		ACBELP
[NH3+]C[C@H]([NH3+])c1ccc([N+](=O)[O-])cc1	39381744	169213103	/nfs/dbraw/zinc/21/31/03/169213103.db2.gz	BYALHBZEFGNYOW-QMMMGPOBSA-N	2	2	181.195	0.553	10	5		ACBELP
[NH3+]C[C@H]([NH3+])c1ccc(F)c([N+](=O)[O-])c1	72200548	169213111	/nfs/dbraw/zinc/21/31/11/169213111.db2.gz	COZOTZTWMOZQGK-ZETCQYMHSA-N	2	2	199.185	0.692	10	5		ACBELP
Nc1ccc([C@@H]([NH3+])C[NH3+])cc1[N+](=O)[O-]	72200476	169213323	/nfs/dbraw/zinc/21/33/23/169213323.db2.gz	VPGCIXDMHWQRLP-ZETCQYMHSA-N	2	2	196.210	0.136	10	5		ACBELP
Nc1cc([N+](=O)[O-])ccc1[C@@H]([NH3+])C[NH3+]	72200472	169213411	/nfs/dbraw/zinc/21/34/11/169213411.db2.gz	MXIMFMXUZLHHFI-QMMMGPOBSA-N	2	2	196.210	0.136	10	5		ACBELP
CCC[N@H+](CC)CC[N+](C)(C)[NH3+]	38611751	343189814	/nfs/dbraw/zinc/18/98/14/343189814.db2.gz	XQBWNRMUGYGZLM-UHFFFAOYSA-N	3	2	174.312	0.668	10	5		ACBELP
Cc1ccc([C@H]([NH3+])C[NH3+])cc1[N+](=O)[O-]	72200441	343561189	/nfs/dbraw/zinc/56/11/89/343561189.db2.gz	PBEAQQWLNRNDMT-MRVPVSSYSA-N	2	2	195.222	0.862	10	5		ACBELP
Cc1ccc([C@@H]([NH3+])C[NH3+])cc1[N+](=O)[O-]	72200442	343561253	/nfs/dbraw/zinc/56/12/53/343561253.db2.gz	PBEAQQWLNRNDMT-QMMMGPOBSA-N	2	2	195.222	0.862	10	5		ACBELP
CCOC(=O)CC[NH2+][N+](C)(C)CC	5955197	717102926	/nfs/dbraw/zinc/10/29/26/717102926.db2.gz	FFDQFVOPLNEVBV-UHFFFAOYSA-N	2	2	189.279	0.541	10	5		ACBELP
C[N+](C)(C)[C@@H](CO)Cc1c[nH]c[nH+]1	238485509	717161890	/nfs/dbraw/zinc/16/18/90/717161890.db2.gz	OIKTUUZEDHLBFZ-SECBINFHSA-N	2	2	184.263	0.019	10	5		ACBELP
Cc1ccc([N+](=O)[O-])cc1[C@@H]([NH3+])C[NH3+]	72200452	573794723	/nfs/dbraw/zinc/79/47/23/573794723.db2.gz	MLVQIJBSOPEUOP-VIFPVBQESA-N	2	2	195.222	0.862	10	5		ACBELP
Cc1c([C@H]([NH3+])C[NH3+])cccc1[N+](=O)[O-]	72200445	573794873	/nfs/dbraw/zinc/79/48/73/573794873.db2.gz	YCBCVWTVUBZOBV-MRVPVSSYSA-N	2	2	195.222	0.862	10	5		ACBELP
Cc1cc([N+](=O)[O-])ccc1[C@H]([NH3+])C[NH3+]	72200457	573795267	/nfs/dbraw/zinc/79/52/67/573795267.db2.gz	WLUWXGSIZOLDMN-SECBINFHSA-N	2	2	195.222	0.862	10	5		ACBELP
Cc1ccc([C@H]([NH3+])C[NH3+])c([N+](=O)[O-])c1	72200453	573795302	/nfs/dbraw/zinc/79/53/02/573795302.db2.gz	FVKYMRNHROOUGM-MRVPVSSYSA-N	2	2	195.222	0.862	10	5		ACBELP