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(NCC[NH2+]C[C@@H](O)CN1CCOCC1)C1CC1	ZINC000160750045	372807999	/nfs/dbraw/zinc/80/79/99/372807999.db2.gz	GYXPKNOXOXYARF-GFCCVEGCSA-N	1	0	271.361	-1.205	20	70		CAIDRO
[NH3+][C@H]1CCC[C@H](NC(=O)CN2CCNCC2=O)C1	ZINC000161416637	545559418	/nfs/dbraw/zinc/55/94/18/545559418.db2.gz	IWGJELNEMSATNO-UWVGGRQHSA-N	1	0	254.334	-1.196	20	70		CAIDRO
C[C@H]([NH3+])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000161023401	230184890	/nfs/dbraw/zinc/18/48/90/230184890.db2.gz	NBXXGUIBQORZDZ-QMMMGPOBSA-N	1	0	251.290	-1.058	20	70		CAIDRO
CNS(=O)(=O)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000160259215	372958533	/nfs/dbraw/zinc/95/85/33/372958533.db2.gz	CGOXEJPDZOFPSR-DTORHVGOSA-N	1	0	261.347	-1.112	20	70		CAIDRO
Cn1c2ncc(C(=O)NCCC[NH3+])cc2c(=O)n(C)c1=O	ZINC000160027294	534714972	/nfs/dbraw/zinc/71/49/72/534714972.db2.gz	HWPCXWBTQFBQIY-UHFFFAOYSA-N	1	0	291.311	-1.289	20	70		CAIDRO
O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000160708495	527373573	/nfs/dbraw/zinc/37/35/73/527373573.db2.gz	YXUDFOQYRITYNS-AOOOYVTPSA-N	1	0	278.312	-1.111	20	70		CAIDRO
CCN1CCN(CC(=O)NCCC[NH3+])C(=O)C1=O	ZINC000160123890	529138015	/nfs/dbraw/zinc/13/80/15/529138015.db2.gz	KPXABICYODSHET-UHFFFAOYSA-N	1	0	256.306	-1.858	20	70		CAIDRO
Cn1c(=O)ccn(CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1=O	ZINC000160868815	545558662	/nfs/dbraw/zinc/55/86/62/545558662.db2.gz	ADCGKTFYKKLFTF-UWVGGRQHSA-N	1	0	280.328	-1.067	20	70		CAIDRO
[NH3+][C@@H]1CCC[C@H](NC(=O)CN2CCNCC2=O)C1	ZINC000161416735	545558854	/nfs/dbraw/zinc/55/88/54/545558854.db2.gz	IWGJELNEMSATNO-ZJUUUORDSA-N	1	0	254.334	-1.196	20	70		CAIDRO
[NH3+][C@@H]1CCC[C@@H](NC(=O)CN2CCNCC2=O)C1	ZINC000161416538	545559208	/nfs/dbraw/zinc/55/92/08/545559208.db2.gz	IWGJELNEMSATNO-NXEZZACHSA-N	1	0	254.334	-1.196	20	70		CAIDRO
[NH3+]CCCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000160143394	230182693	/nfs/dbraw/zinc/18/26/93/230182693.db2.gz	AUEDGPFOCUYMOR-GFCCVEGCSA-N	1	0	298.387	-1.368	20	70		CAIDRO
[NH3+]CCCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000160143525	230184779	/nfs/dbraw/zinc/18/47/79/230184779.db2.gz	AUEDGPFOCUYMOR-LBPRGKRZSA-N	1	0	298.387	-1.368	20	70		CAIDRO
O=C(CN1CCNCC1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000159620294	230184003	/nfs/dbraw/zinc/18/40/03/230184003.db2.gz	OPZSESZLNRRYKW-PHIMTYICSA-N	1	0	266.345	-1.229	20	70		CAIDRO
C[C@@H](CN1CCOCC1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1	ZINC000217761098	269086577	/nfs/dbraw/zinc/08/65/77/269086577.db2.gz	HIXVZPMARZSVRH-HBNTYKKESA-N	1	0	257.334	-1.454	20	70		CAIDRO
O=C(CN1CC(=O)NC1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000160633343	526720396	/nfs/dbraw/zinc/72/03/96/526720396.db2.gz	DOOXEALKWXMEDT-DTORHVGOSA-N	1	0	266.301	-1.109	20	70		CAIDRO
CCN1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]C)C(=O)C1=O	ZINC000161313508	529137255	/nfs/dbraw/zinc/13/72/55/529137255.db2.gz	NUTQAPGEMXEUNE-LLVKDONJSA-N	1	0	296.371	-1.113	20	70		CAIDRO
Cn1c(=O)ccn(CC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1=O	ZINC000160869049	545558482	/nfs/dbraw/zinc/55/84/82/545558482.db2.gz	ADCGKTFYKKLFTF-ZJUUUORDSA-N	1	0	280.328	-1.067	20	70		CAIDRO
[NH3+][C@H]1CCC[C@@H](NC(=O)CN2CCNCC2=O)C1	ZINC000161416443	545559323	/nfs/dbraw/zinc/55/93/23/545559323.db2.gz	IWGJELNEMSATNO-VHSXEESVSA-N	1	0	254.334	-1.196	20	70		CAIDRO
CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCNC(=O)N(C)C	ZINC000160844897	372808041	/nfs/dbraw/zinc/80/80/41/372808041.db2.gz	HRTVWQWMTCSRBF-JTQLQIEISA-N	1	0	287.364	-1.527	20	70		CAIDRO
O=C(NCC[NH2+]C[C@H](O)CN1CCOCC1)C1CC1	ZINC000160749953	372809358	/nfs/dbraw/zinc/80/93/58/372809358.db2.gz	GYXPKNOXOXYARF-LBPRGKRZSA-N	1	0	271.361	-1.205	20	70		CAIDRO
C[C@@H]([NH3+])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000161023650	409358498	/nfs/dbraw/zinc/35/84/98/409358498.db2.gz	NBXXGUIBQORZDZ-MRVPVSSYSA-N	1	0	251.290	-1.058	20	70		CAIDRO
CCN1CCN(CC(=O)N2CCC[C@H]2C[NH2+]C)C(=O)C1=O	ZINC000161313644	529137309	/nfs/dbraw/zinc/13/73/09/529137309.db2.gz	NUTQAPGEMXEUNE-NSHDSACASA-N	1	0	296.371	-1.113	20	70		CAIDRO
CNC(=O)CN1CCN(C(=O)COC2(C)C[NH2+]C2)CC1	ZINC000161115468	545508796	/nfs/dbraw/zinc/50/87/96/545508796.db2.gz	VEWCCQXKCXCFNX-UHFFFAOYSA-N	1	0	284.360	-1.745	20	70		CAIDRO
Cn1c(=O)ccn(CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1=O	ZINC000160868670	545557890	/nfs/dbraw/zinc/55/78/90/545557890.db2.gz	ADCGKTFYKKLFTF-VHSXEESVSA-N	1	0	280.328	-1.067	20	70		CAIDRO
Cn1c(=O)ccn(CC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1=O	ZINC000160868943	545558476	/nfs/dbraw/zinc/55/84/76/545558476.db2.gz	ADCGKTFYKKLFTF-NXEZZACHSA-N	1	0	280.328	-1.067	20	70		CAIDRO