smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)CC3)C2=O)cc1[N+](=O)[O-]	ZINC000101982759	206228160	/nfs/dbraw/zinc/22/81/60/206228160.db2.gz	QXQABHUSWAUMQN-CQSZACIVSA-N	1	0	360.370	0.732	40	5		FCBBRO
C[C@H](O)[C@H](CC[NH2+][C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000217339519	488442320	/nfs/dbraw/zinc/44/23/20/488442320.db2.gz	SYUWUHQRKQWNLI-LNSITVRQSA-N	1	0	370.427	0.941	40	5		FCBBRO
CC(C)[N+]12CC=C3COC(=O)[C@@](C)(O)[C@@](C)(O)[C@H](C)C(=O)O[C@@H](CC1)[C@@H]32	ZINC000005208233	204196693	/nfs/dbraw/zinc/19/66/93/204196693.db2.gz	LZLZAYWNAJHXBF-VRCASFFDSA-N	1	0	368.450	0.531	40	5		FCBBRO
C[NH+](C)CCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000013673705	204544225	/nfs/dbraw/zinc/54/42/25/204544225.db2.gz	JUJXIEZMTXMGBG-UHFFFAOYSA-N	1	0	358.420	0.429	40	5		FCBBRO
C[C@@H](O)[C@H](CC[NH2+][C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000217339430	488442336	/nfs/dbraw/zinc/44/23/36/488442336.db2.gz	SYUWUHQRKQWNLI-KYOSRNDESA-N	1	0	370.427	0.941	40	5		FCBBRO
CC(C)[N+]12CC=C3COC(=O)[C@@](C)(O)[C@@](C)(O)[C@@H](C)C(=O)O[C@@H](CC1)[C@@H]32	ZINC000005208234	207086936	/nfs/dbraw/zinc/08/69/36/207086936.db2.gz	LZLZAYWNAJHXBF-DHOBTACZSA-N	1	0	368.450	0.531	40	5		FCBBRO
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O	ZINC000010111620	487532073	/nfs/dbraw/zinc/53/20/73/487532073.db2.gz	WXVUJHWPEZOUDN-UHFFFAOYSA-N	1	0	374.419	0.047	40	5		FCBBRO
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCC[NH+](C)C)S(C)(=O)=O	ZINC000010334755	487533787	/nfs/dbraw/zinc/53/37/87/487533787.db2.gz	XTTMHLNQHPWLRC-UHFFFAOYSA-N	1	0	372.447	0.737	40	5		FCBBRO
C[NH+](C)CCCn1ccc2nc3ccn(-c4nc[nH]n4)c(=O)c3cc2c1=O	ZINC000040372873	208248190	/nfs/dbraw/zinc/24/81/90/208248190.db2.gz	AZZCMHQPSAMSKM-UHFFFAOYSA-N	1	0	365.397	0.770	40	5		FCBBRO
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O	ZINC000010111664	263362732	/nfs/dbraw/zinc/36/27/32/263362732.db2.gz	HHLZAGWOEDWLPY-UHFFFAOYSA-N	1	0	358.420	0.347	40	5		FCBBRO
CC[N+]12CC=C3COC(=O)[C@@](C)(O)[C@@](C)(O)[C@H](C)C(=O)O[C@H](CC1)[C@H]32	ZINC000005208229	207087967	/nfs/dbraw/zinc/08/79/67/207087967.db2.gz	LQHSJSDTMUEZFJ-QMAXYNQQSA-N	1	0	354.423	0.142	40	5		FCBBRO
CS(=O)(=O)N1CCN(c2cc(N3CC[NH2+]CC3)ccc2[N+](=O)[O-])CC1	ZINC000010012435	487530365	/nfs/dbraw/zinc/53/03/65/487530365.db2.gz	KAVWUDHKJZPHRR-UHFFFAOYSA-N	1	0	369.447	0.086	40	5		FCBBRO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CC[NH+](C)CC1	ZINC000013673210	220083088	/nfs/dbraw/zinc/08/30/88/220083088.db2.gz	QSHBWSRXZKCIKE-UHFFFAOYSA-N	1	0	356.448	0.819	40	5		FCBBRO
CC(C)[N+]12CC=C3COC(=O)[C@@](C)(O)[C@@](C)(O)[C@H](C)C(=O)O[C@H](CC1)[C@@H]32	ZINC000005208231	207086903	/nfs/dbraw/zinc/08/69/03/207086903.db2.gz	LZLZAYWNAJHXBF-ZRCSZXNASA-N	1	0	368.450	0.531	40	5		FCBBRO
C[C@@H](O)[C@@H](CC[NH2+][C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000217339267	488442266	/nfs/dbraw/zinc/44/22/66/488442266.db2.gz	SYUWUHQRKQWNLI-UXIGCNINSA-N	1	0	370.427	0.941	40	5		FCBBRO
CC(C)[N+]12CC=C3COC(=O)[C@@](C)(O)[C@@](C)(O)[C@@H](C)C(=O)O[C@H](CC1)[C@@H]32	ZINC000005208232	487486617	/nfs/dbraw/zinc/48/66/17/487486617.db2.gz	LZLZAYWNAJHXBF-RWHWLKSISA-N	1	0	368.450	0.531	40	5		FCBBRO
C[C@H](O)[C@H](CC[NH2+][C@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000242677114	488459892	/nfs/dbraw/zinc/45/98/92/488459892.db2.gz	SYUWUHQRKQWNLI-WHOFXGATSA-N	1	0	370.427	0.941	40	5		FCBBRO
C[C@H](O)[C@@H](CC[NH2+][C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000217339345	488442174	/nfs/dbraw/zinc/44/21/74/488442174.db2.gz	SYUWUHQRKQWNLI-NJZAAPMLSA-N	1	0	370.427	0.941	40	5		FCBBRO
CCC[N+]12CC=C3COC(=O)[C@@](C)(O)[C@@](C)(O)[C@H](C)C(=O)O[C@@H](CC1)[C@H]32	ZINC000005208221	487486187	/nfs/dbraw/zinc/48/61/87/487486187.db2.gz	HFSOEXGLSDDQRJ-OJIKIQFZSA-N	1	0	368.450	0.532	40	5		FCBBRO
Cc1ccc(S(=O)(=O)NCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000022913972	487627679	/nfs/dbraw/zinc/62/76/79/487627679.db2.gz	UBDKGCRPRWIOJB-UHFFFAOYSA-N	1	0	356.448	0.819	40	5		FCBBRO
C[C@H](O)[C@@H](CC[NH2+][C@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000242677112	488459790	/nfs/dbraw/zinc/45/97/90/488459790.db2.gz	SYUWUHQRKQWNLI-CORIIIEPSA-N	1	0	370.427	0.941	40	5		FCBBRO
CC[N+]12CC=C3COC(=O)[C@@](C)(O)[C@@](C)(O)[C@H](C)C(=O)O[C@@H](CC1)[C@H]32	ZINC000005208230	219661045	/nfs/dbraw/zinc/66/10/45/219661045.db2.gz	LQHSJSDTMUEZFJ-QDMNXMHASA-N	1	0	354.423	0.142	40	5		FCBBRO
CC[NH+](CC)CCNC(=O)c1nc(Cn2nc([N+](=O)[O-])cc2C)no1	ZINC000017072864	220201915	/nfs/dbraw/zinc/20/19/15/220201915.db2.gz	OEWYXJGMUFOYEX-UHFFFAOYSA-N	1	0	351.367	0.603	40	5		FCBBRO
CCC[N+]12CC=C3COC(=O)[C@@](C)(O)[C@@](C)(O)[C@H](C)C(=O)O[C@H](CC1)[C@H]32	ZINC000005208220	487486386	/nfs/dbraw/zinc/48/63/86/487486386.db2.gz	HFSOEXGLSDDQRJ-VSIUYGELSA-N	1	0	368.450	0.532	40	5		FCBBRO
C[NH+](C)CCn1ccc2nc3ccn(-c4cc[nH]n4)c(=O)c3cc2c1=O	ZINC000040399056	487815314	/nfs/dbraw/zinc/81/53/14/487815314.db2.gz	GNPLVUBRAMQIDY-UHFFFAOYSA-N	1	0	350.382	0.985	40	5		FCBBRO