smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1N1CCCCC1	ZINC000734843554	1126106671	/nfs/dbraw/zinc/10/66/71/1126106671.db2.gz	NYZGMPSWLFBTJQ-NQIIRXRSSA-N	1	0	437.462	4.209	20	10		IICDRO
O=[N+]([O-])c1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1N1CCCCC1	ZINC000734843556	1126106689	/nfs/dbraw/zinc/10/66/89/1126106689.db2.gz	NYZGMPSWLFBTJQ-WIYYLYMNSA-N	1	0	437.462	4.209	20	10		IICDRO
Cc1cc(Br)cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c1O	ZINC001462477182	1126197902	/nfs/dbraw/zinc/19/79/02/1126197902.db2.gz	XTFARGHRDMQYHV-SFHVURJKSA-N	1	0	443.179	4.309	20	10		IICDRO
O=[N+]([O-])c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1N1CCCCC1	ZINC000734843553	1126106567	/nfs/dbraw/zinc/10/65/67/1126106567.db2.gz	NYZGMPSWLFBTJQ-GHTZIAJQSA-N	1	0	437.462	4.209	20	10		IICDRO
CCOCc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)ccc1OC	ZINC001474208539	1126202540	/nfs/dbraw/zinc/20/25/40/1126202540.db2.gz	JGGODFXXGUHDDL-JOCHJYFZSA-N	1	0	434.374	4.004	20	10		IICDRO
OC[C@]1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCc2cc(Br)ccc2C1	ZINC001560531952	1126211645	/nfs/dbraw/zinc/21/16/45/1126211645.db2.gz	CCFFNIAPNJKDRQ-QHCPKHFHSA-N	1	0	429.402	4.449	20	10		IICDRO
COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)cc1OC	ZINC001560580560	1126213657	/nfs/dbraw/zinc/21/36/57/1126213657.db2.gz	ZRZIPPIWPJPHIZ-MUUNZHRXSA-N	1	0	446.591	4.350	20	10		IICDRO
CCN(CC)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1F	ZINC001203118321	1126157636	/nfs/dbraw/zinc/15/76/36/1126157636.db2.gz	DIIXYJJMZIHIPN-QFIPXVFZSA-N	1	0	435.381	4.444	20	10		IICDRO
O=[N+]([O-])c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1N1CCCCC1	ZINC000734843555	1126106683	/nfs/dbraw/zinc/10/66/83/1126106683.db2.gz	NYZGMPSWLFBTJQ-RXVVDRJESA-N	1	0	437.462	4.209	20	10		IICDRO
Cc1cc(Br)cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c1O	ZINC001462477179	1126197925	/nfs/dbraw/zinc/19/79/25/1126197925.db2.gz	XTFARGHRDMQYHV-GOSISDBHSA-N	1	0	443.179	4.309	20	10		IICDRO
COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)cc1OC	ZINC001560580561	1126213542	/nfs/dbraw/zinc/21/35/42/1126213542.db2.gz	ZRZIPPIWPJPHIZ-NDEPHWFRSA-N	1	0	446.591	4.350	20	10		IICDRO
OC[C@@]1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCc2cc(Br)ccc2C1	ZINC001560531949	1126211623	/nfs/dbraw/zinc/21/16/23/1126211623.db2.gz	CCFFNIAPNJKDRQ-HSZRJFAPSA-N	1	0	429.402	4.449	20	10		IICDRO
CCOCc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)ccc1OC	ZINC001474208540	1126202597	/nfs/dbraw/zinc/20/25/97/1126202597.db2.gz	JGGODFXXGUHDDL-QFIPXVFZSA-N	1	0	434.374	4.004	20	10		IICDRO
CCN(CC)c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1F	ZINC001203118319	1126157615	/nfs/dbraw/zinc/15/76/15/1126157615.db2.gz	DIIXYJJMZIHIPN-JOCHJYFZSA-N	1	0	435.381	4.444	20	10		IICDRO