smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=NN(O)[C@@H]1CCCCC1=[N+]1CCOCC1	ZINC000073241385	187277723	/nfs/dbraw/zinc/27/77/23/187277723.db2.gz	QXEWUFPSBCUREC-IMTQZCPYSA-O	1	0	228.272	0.764	1	10		BCCFRO
O=NN(O)[C@H]1CCCCC1=[N+]1CCOCC1	ZINC000001623904	187583811	/nfs/dbraw/zinc/58/38/11/187583811.db2.gz	QXEWUFPSBCUREC-GYXQTMOZSA-O	1	0	228.272	0.764	1	10		BCCFRO
CC(C)[NH2+]C[C@H](O)COc1ccc(O)c(O)c1	ZINC000001560496	167114617	/nfs/dbraw/zinc/11/46/17/167114617.db2.gz	BTOQOGYPRARWDT-VIFPVBQESA-N	1	0	241.287	0.836	1	10		BCCFRO
CC[n+]1nn(C)c2c1C(=O)c1ccccc1C2=O	ZINC000066166992	172239677	/nfs/dbraw/zinc/23/96/77/172239677.db2.gz	RWQFWZFKVQMVRC-UHFFFAOYSA-N	1	0	242.258	0.503	1	10		BCCFRO
CN(C)/[N+](O)=N/Oc1ccc([N+](=O)[O-])cn1	ZINC000034505514	172353163	/nfs/dbraw/zinc/35/31/63/172353163.db2.gz	JRTOEMNMWNIAQL-XFXZXTDPSA-N	1	0	227.180	0.723	1	10		BCCFRO
CC(=O)OC[O+]=NN(O)N1CCCC1	ZINC000026648857	187255198	/nfs/dbraw/zinc/25/51/98/187255198.db2.gz	CWFADOONXREEFU-NTMALXAHSA-N	1	0	203.198	0.412	1	10		BCCFRO
CN1CC[N+](C)=C1Cc1ccc(O)c(O)c1	ZINC000028016891	173167371	/nfs/dbraw/zinc/16/73/71/173167371.db2.gz	XFZLBCBYXCRIDT-UHFFFAOYSA-O	1	0	221.280	0.627	1	10		BCCFRO
C[NH2+]CCCCCCN(C)N(O)N=O	ZINC000027564041	173345358	/nfs/dbraw/zinc/34/53/58/173345358.db2.gz	KQHAZGURWZYZJG-BENRWUELSA-N	1	0	204.274	0.965	1	10		BCCFRO
[NH3+]CCCNC(=O)CCc1ccc(O)c(O)c1	ZINC000040584289	181380869	/nfs/dbraw/zinc/38/08/69/181380869.db2.gz	BGQRRHSWGPCQOY-UHFFFAOYSA-N	1	0	238.287	0.495	1	10		BCCFRO
CN(C)/[N+](O)=N\Oc1ccc([N+](=O)[O-])cn1	ZINC000040565843	172353881	/nfs/dbraw/zinc/35/38/81/172353881.db2.gz	JRTOEMNMWNIAQL-FMIVXFBMSA-N	1	0	227.180	0.723	1	10		BCCFRO
Oc1cc2c(cc1O)O[C@@H](C1=[NH+]CCN1)CO2	ZINC000027889595	183263066	/nfs/dbraw/zinc/26/30/66/183263066.db2.gz	YAWHAALAZZOWAU-SNVBAGLBSA-N	1	0	236.227	0.239	1	10		BCCFRO
N#[N+]CC(=O)OC1Cc2ccccc2C1	ZINC000005541790	183317917	/nfs/dbraw/zinc/31/79/17/183317917.db2.gz	UVBIEVTXDKWALN-UHFFFAOYSA-N	1	0	202.213	0.998	1	10		BCCFRO
C[NH2+]C[C@H](O)c1cc(F)c(O)c(O)c1F	ZINC000013834254	173377013	/nfs/dbraw/zinc/37/70/13/173377013.db2.gz	KCSBHJHUGQEHSD-LURJTMIESA-N	1	0	219.187	0.629	1	10		BCCFRO
[NH3+]CCC[NH2+]Cc1c([O-])ccc2ccc(=O)oc21	ZINC000013674222	181384143	/nfs/dbraw/zinc/38/41/43/181384143.db2.gz	ZFSGKZKORXNTTL-UHFFFAOYSA-N	1	0	248.282	0.937	1	10		BCCFRO
[NH3+][C@H](CCC[NH2+]Cc1ccccc1O)C(=O)[O-]	ZINC000001626578	181614903	/nfs/dbraw/zinc/61/49/03/181614903.db2.gz	DYUZRCIJNHHNFB-SNVBAGLBSA-N	1	0	238.287	0.674	1	10		BCCFRO
C[N+](C)(C)CCc1cc(O)c(O)cc1N	ZINC000169344715	717155901	/nfs/dbraw/zinc/15/59/01/717155901.db2.gz	DWXOHFRWFOZHQZ-UHFFFAOYSA-O	1	0	211.285	0.929	1	10		BCCFRO
C[NH2+]C[C@@H](O)c1cc(F)c(O)c(O)c1F	ZINC000013834253	173365572	/nfs/dbraw/zinc/36/55/72/173365572.db2.gz	KCSBHJHUGQEHSD-ZCFIWIBFSA-N	1	0	219.187	0.629	1	10		BCCFRO
Oc1ccc(CC2=[NH+]CCN2)c(F)c1O	ZINC000040466675	183268816	/nfs/dbraw/zinc/26/88/16/183268816.db2.gz	NEAWISPDTYNJKD-UHFFFAOYSA-N	1	0	210.208	0.781	1	10		BCCFRO
Oc1ccc2c(c1O)OCC[C@@H]2C1=[NH+]CCN1	ZINC000029223768	183282508	/nfs/dbraw/zinc/28/25/08/183282508.db2.gz	YUMFNDFBVDHHOX-QMMMGPOBSA-N	1	0	234.255	0.966	1	10		BCCFRO
Oc1cc2c(cc1O)O[C@H](C1=[NH+]CCN1)CO2	ZINC000027889590	183263126	/nfs/dbraw/zinc/26/31/26/183263126.db2.gz	YAWHAALAZZOWAU-JTQLQIEISA-N	1	0	236.227	0.239	1	10		BCCFRO