smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c2cc(N3CC[NH+](C)CC3)c(N)cc2c(=O)c2c(OC)cc(OC)cc21	ZINC000026258438	207311160	/nfs/dbraw/zinc/31/11/60/207311160.db2.gz	TVVHCLVNOBHRKX-UHFFFAOYSA-N	1	1	396.491	2.526	1	5		GFBFMO
CC[N@H+]1CC[C@](O)(c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000016958985	207079961	/nfs/dbraw/zinc/07/99/61/207079961.db2.gz	XVBUSJRKIWVZEM-QUCCMNQESA-N	1	1	399.403	2.915	1	5		GFBFMO
CC[N@H+]1CC[C@@](O)(c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000031895253	207389699	/nfs/dbraw/zinc/38/96/99/207389699.db2.gz	XVBUSJRKIWVZEM-UYAOXDASSA-N	1	1	399.403	2.915	1	5		GFBFMO
O=c1c2cnc3ccccc3c2ncn1CC[NH+]1CCN(c2ccccc2)CC1	ZINC000072104660	205302901	/nfs/dbraw/zinc/30/29/01/205302901.db2.gz	GQJSVQIDKVDKRC-UHFFFAOYSA-N	1	1	385.471	2.767	1	5		GFBFMO
COc1cc2[nH+]c(N3CC[N+]([O-])(Cc4ccccc4)CC3)nc(N)c2cc1OC	ZINC000027440417	207326283	/nfs/dbraw/zinc/32/62/83/207326283.db2.gz	MTBVCRHRERRCTQ-UHFFFAOYSA-N	1	1	395.463	2.564	1	5		GFBFMO
O=C(CC[N@H+]1CCN2Cc3ccccc3C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-]	ZINC000026749760	207319949	/nfs/dbraw/zinc/31/99/49/207319949.db2.gz	VGFDXVSFHAMSIA-GOSISDBHSA-N	1	1	380.448	2.666	1	5		GFBFMO
O=C(CCN1CC[N@@H+]2Cc3ccccc3C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-]	ZINC000026749760	207319954	/nfs/dbraw/zinc/31/99/54/207319954.db2.gz	VGFDXVSFHAMSIA-GOSISDBHSA-N	1	1	380.448	2.666	1	5		GFBFMO
O=C(CCN1CC[N@H+]2Cc3ccccc3C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-]	ZINC000026749760	207319955	/nfs/dbraw/zinc/31/99/55/207319955.db2.gz	VGFDXVSFHAMSIA-GOSISDBHSA-N	1	1	380.448	2.666	1	5		GFBFMO
COc1ccc2c(CN3CC[NH+](CCO)CC3)cc3cc4c(cc3c2c1)OCO4	ZINC000028706248	207346642	/nfs/dbraw/zinc/34/66/42/207346642.db2.gz	FVXNJLNFLONMKW-UHFFFAOYSA-N	1	1	394.471	2.840	1	5		GFBFMO
C[NH+](C)CC(=O)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1	ZINC000096258336	208296438	/nfs/dbraw/zinc/29/64/38/208296438.db2.gz	VIPFSPAWJVQHSE-UHFFFAOYSA-N	1	1	385.427	2.982	1	5		GFBFMO
O=[N+]([O-])c1cn2c(n1)OC[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1Cl)C2	ZINC000072179193	211081312	/nfs/dbraw/zinc/08/13/12/211081312.db2.gz	OQMADSKYFYQKLH-VIFPVBQESA-N	1	1	392.721	2.894	1	5		GFBFMO
COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)ccc1F	ZINC000095590674	536529333	/nfs/dbraw/zinc/52/93/33/536529333.db2.gz	AHYWBDAIZHOANP-UHFFFAOYSA-N	1	1	388.399	2.747	1	5		GFBFMO