smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Cn1cnc([N+](=O)[O-])n1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000498530086	485003522	/nfs/dbraw/zinc/00/35/22/485003522.db2.gz	SAMMNRCIVRYTRP-UHFFFAOYSA-N	2	0	374.405	-0.090	20	5		FBBDRP
NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000577385677	483965527	/nfs/dbraw/zinc/96/55/27/483965527.db2.gz	MNEFKFVVEZMJFJ-GXTWGEPZSA-N	2	0	354.411	-0.671	20	5		FBBDRP
NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000577385690	483964436	/nfs/dbraw/zinc/96/44/36/483964436.db2.gz	MNEFKFVVEZMJFJ-JSGCOSHPSA-N	2	0	354.411	-0.671	20	5		FBBDRP
NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000577385692	483964299	/nfs/dbraw/zinc/96/42/99/483964299.db2.gz	MNEFKFVVEZMJFJ-OCCSQVGLSA-N	2	0	354.411	-0.671	20	5		FBBDRP
NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000577385694	483965323	/nfs/dbraw/zinc/96/53/23/483965323.db2.gz	MNEFKFVVEZMJFJ-TZMCWYRMSA-N	2	0	354.411	-0.671	20	5		FBBDRP
C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1	ZINC000591736658	484855441	/nfs/dbraw/zinc/85/54/41/484855441.db2.gz	DADDRAZFVPXRJG-BBRMVZONSA-N	2	0	352.439	-0.090	20	5		FBBDRP
C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1	ZINC000591736660	484855799	/nfs/dbraw/zinc/85/57/99/484855799.db2.gz	DADDRAZFVPXRJG-CJNGLKHVSA-N	2	0	352.439	-0.090	20	5		FBBDRP
C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1	ZINC000591736662	484855396	/nfs/dbraw/zinc/85/53/96/484855396.db2.gz	DADDRAZFVPXRJG-CZUORRHYSA-N	2	0	352.439	-0.090	20	5		FBBDRP
C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1	ZINC000591736664	484856099	/nfs/dbraw/zinc/85/60/99/484856099.db2.gz	DADDRAZFVPXRJG-XJKSGUPXSA-N	2	0	352.439	-0.090	20	5		FBBDRP
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)n1	ZINC000599279460	483544677	/nfs/dbraw/zinc/54/46/77/483544677.db2.gz	PKRJLQMBINVLAL-UHFFFAOYSA-N	2	0	374.467	-0.025	20	5		FBBDRP
CCn1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c([N+](=O)[O-])n1	ZINC000611105495	484668444	/nfs/dbraw/zinc/66/84/44/484668444.db2.gz	XLHCPHVRGYZFKK-UHFFFAOYSA-N	2	0	362.456	-0.075	20	5		FBBDRP
C[NH+](C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001055574977	662377657	/nfs/dbraw/zinc/37/76/57/662377657.db2.gz	GVIGDOLAKKUIEJ-ZIAGYGMSSA-N	2	0	355.439	-0.700	20	5		FBBDRP
C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001055633153	662378775	/nfs/dbraw/zinc/37/87/75/662378775.db2.gz	CLBXYGYHLJHZQI-ZIAGYGMSSA-N	2	0	355.439	-0.700	20	5		FBBDRP
C[C@@H](CN1CC[NH2+]CC1)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001154748784	843794301	/nfs/dbraw/zinc/79/43/01/843794301.db2.gz	OPQMANQLPFTCFB-LBPRGKRZSA-N	2	0	350.427	-0.500	20	5		FBBDRP
C[NH+](C)C[C@@H]1COCCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001154966906	843798796	/nfs/dbraw/zinc/79/87/96/843798796.db2.gz	FHTSSQNDOUERSQ-GFCCVEGCSA-N	2	0	351.411	-0.439	20	5		FBBDRP
C[NH+](C)C[C@H]1COCCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001154966908	843798922	/nfs/dbraw/zinc/79/89/22/843798922.db2.gz	FHTSSQNDOUERSQ-LBPRGKRZSA-N	2	0	351.411	-0.439	20	5		FBBDRP
COC(=O)[C@H]([NH3+])C1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1	ZINC001155168786	843802513	/nfs/dbraw/zinc/80/25/13/843802513.db2.gz	GSTXHMYSTUNZTB-GFCCVEGCSA-N	2	0	350.379	-0.212	20	5		FBBDRP
COC(=O)[C@@H]([NH3+])C1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1	ZINC001155168787	843802547	/nfs/dbraw/zinc/80/25/47/843802547.db2.gz	GSTXHMYSTUNZTB-LBPRGKRZSA-N	2	0	350.379	-0.212	20	5		FBBDRP
COC(=O)[C@@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C(C)(C)[NH3+]	ZINC001155368264	843807159	/nfs/dbraw/zinc/80/71/59/843807159.db2.gz	DUMSSCVIZLJZKD-SNVBAGLBSA-N	2	0	353.383	-0.515	20	5		FBBDRP
COC(=O)[C@@H](CCC[NH3+])Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001157114550	843833983	/nfs/dbraw/zinc/83/39/83/843833983.db2.gz	JOXUAKRKYNHGQT-SNVBAGLBSA-N	2	0	353.383	-0.513	20	5		FBBDRP
CCS(=O)(=O)N(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C1CC[NH2+]CC1	ZINC001157898796	843850009	/nfs/dbraw/zinc/85/00/09/843850009.db2.gz	WWYKDMZWKGRKQH-UHFFFAOYSA-N	2	0	370.435	-0.020	20	5		FBBDRP
[NH3+]C1CCN(CCNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1	ZINC001161866882	843928184	/nfs/dbraw/zinc/92/81/84/843928184.db2.gz	DXEGOMKDMISAOJ-UHFFFAOYSA-N	2	0	350.427	-0.371	20	5		FBBDRP
CC1(C)C[NH2+]C[C@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])O1	ZINC001161954162	843928747	/nfs/dbraw/zinc/92/87/47/843928747.db2.gz	PLEPWBNRSMFIRM-LLVKDONJSA-N	2	0	351.411	-0.027	20	5		FBBDRP
[NH3+]CCCC[NH2+]CCCNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001162290392	843931970	/nfs/dbraw/zinc/93/19/70/843931970.db2.gz	RRWZTUKKXZRHDF-UHFFFAOYSA-N	3	0	352.443	-0.075	20	5		FBBDRP
N=c1sc2c(n1-c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])CC[NH2+]C2	ZINC001166859431	843963362	/nfs/dbraw/zinc/96/33/62/843963362.db2.gz	FSOJFOWSFHKBPL-UHFFFAOYSA-N	2	0	362.419	-0.228	20	5		FBBDRP
COC(=O)C(C(=O)OC)c1ncc(N[C@H]([NH3+])CCC[NH3+])cc1[N+](=O)[O-]	ZINC001170900537	839753234	/nfs/dbraw/zinc/75/32/34/839753234.db2.gz	VNXVBTTZISXSMB-JTQLQIEISA-N	2	0	355.351	-0.145	20	5		FBBDRP
COC(=O)C(C(=O)OC)c1ncc(N[C@@H]([NH3+])CCC[NH3+])cc1[N+](=O)[O-]	ZINC001170900538	839753114	/nfs/dbraw/zinc/75/31/14/839753114.db2.gz	VNXVBTTZISXSMB-SNVBAGLBSA-N	2	0	355.351	-0.145	20	5		FBBDRP
[NH3+]C[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001173690308	840273778	/nfs/dbraw/zinc/27/37/78/840273778.db2.gz	NPYBRBFBISHRQB-GFCCVEGCSA-N	2	0	358.420	-0.343	20	5		FBBDRP
[NH3+]C[C@H](O)C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001173690312	840273979	/nfs/dbraw/zinc/27/39/79/840273979.db2.gz	NPYBRBFBISHRQB-LBPRGKRZSA-N	2	0	358.420	-0.343	20	5		FBBDRP
[NH3+]CCNCC[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001246405244	846098076	/nfs/dbraw/zinc/09/80/76/846098076.db2.gz	NJGBESRTCAQQRC-UHFFFAOYSA-N	2	0	371.463	-0.114	20	5		FBBDRP
[NH3+]CCN(CC[NH3+])C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001246832008	846107369	/nfs/dbraw/zinc/10/73/69/846107369.db2.gz	PPIMIJUNPBYXBY-UHFFFAOYSA-N	2	0	371.463	-0.033	20	5		FBBDRP
C[NH+]1CCN(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1	ZINC001262017741	846669938	/nfs/dbraw/zinc/66/99/38/846669938.db2.gz	KQQDGRDUEHAHTB-INIZCTEOSA-N	2	0	352.439	-0.136	20	5		FBBDRP
C[NH+]1CCN(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1	ZINC001262017742	846670271	/nfs/dbraw/zinc/67/02/71/846670271.db2.gz	KQQDGRDUEHAHTB-MRXNPFEDSA-N	2	0	352.439	-0.136	20	5		FBBDRP