smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C	ZINC000159942092	545993465	/nfs/dbraw/zinc/99/34/65/545993465.db2.gz	IDKYZTZSRQAXAP-UMGGQSCQSA-N	2	0	356.514	2.385	10	70		FEIERP
CCC[C@@H](C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1)[NH+](C)C	ZINC000159880330	545988289	/nfs/dbraw/zinc/98/82/89/545988289.db2.gz	AUBSNJJPWDWORO-VQTJNVASSA-N	2	0	360.546	2.212	10	70		FEIERP
O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000160289707	546027341	/nfs/dbraw/zinc/02/73/41/546027341.db2.gz	FGDVKZMMLPCBJY-VQTJNVASSA-N	2	0	359.514	2.004	10	70		FEIERP
CC(=O)NC1CCC([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1	ZINC000161438644	326999574	/nfs/dbraw/zinc/99/95/74/326999574.db2.gz	TWZKZHMWNCQGIL-HRTMPFAESA-N	2	0	373.541	2.469	10	70		FEIERP
CC(C)[N@H+]1C[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C1	ZINC000161329809	546120131	/nfs/dbraw/zinc/12/01/31/546120131.db2.gz	XPUFVUPZWNASEJ-ICSRJNTNSA-N	2	0	358.530	2.044	10	70		FEIERP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(N2CCC[C@@H]2CO)ncn1	ZINC000160232474	546020668	/nfs/dbraw/zinc/02/06/68/546020668.db2.gz	XRHGUBRRZFBYPL-QRQLOZEOSA-N	2	0	367.497	2.370	10	70		FEIERP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000161329694	546119979	/nfs/dbraw/zinc/11/99/79/546119979.db2.gz	XPUFVUPZWNASEJ-QUCCMNQESA-N	2	0	358.530	2.044	10	70		FEIERP
CC(=O)NC1CCC([NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1	ZINC000161438779	326999565	/nfs/dbraw/zinc/99/95/65/326999565.db2.gz	TWZKZHMWNCQGIL-LZBANZJXSA-N	2	0	373.541	2.469	10	70		FEIERP
CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3C)cc2)CC1	ZINC000161372756	546124868	/nfs/dbraw/zinc/12/48/68/546124868.db2.gz	NGZIYUVXZPIGBF-PXNSSMCTSA-N	2	0	358.530	2.287	10	70		FEIERP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000161351631	546122221	/nfs/dbraw/zinc/12/22/21/546122221.db2.gz	BFOVYWITFCFSCN-CTNGQTDRSA-N	2	0	372.557	2.434	10	70		FEIERP
CN(CC[NH+](C)C1CCN(C)CC1)CC[N@H+](C)Cc1ccc(F)cc1	ZINC000161179512	546106908	/nfs/dbraw/zinc/10/69/08/546106908.db2.gz	UEQHHTKMVJJFOZ-UHFFFAOYSA-N	2	0	350.526	2.215	10	70		FEIERP
CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)cc2)CC1	ZINC000161372645	546124588	/nfs/dbraw/zinc/12/45/88/546124588.db2.gz	NGZIYUVXZPIGBF-FXAWDEMLSA-N	2	0	358.530	2.287	10	70		FEIERP
CCC[C@H](C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1)[NH+](C)C	ZINC000159880457	545988361	/nfs/dbraw/zinc/98/83/61/545988361.db2.gz	AUBSNJJPWDWORO-WOJBJXKFSA-N	2	0	360.546	2.212	10	70		FEIERP
O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000160289870	546026957	/nfs/dbraw/zinc/02/69/57/546026957.db2.gz	FGDVKZMMLPCBJY-PMACEKPBSA-N	2	0	359.514	2.004	10	70		FEIERP
CC(C)[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C1	ZINC000161351761	546122313	/nfs/dbraw/zinc/12/23/13/546122313.db2.gz	BFOVYWITFCFSCN-FPOVZHCZSA-N	2	0	372.557	2.434	10	70		FEIERP