smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000057671345	557257285	/nfs/dbraw/zinc/25/72/85/557257285.db2.gz	BCQSDTJMYSQHCQ-FQEVSTJZSA-N	1	2	436.516	2.732	40	10		IFCBLO
COc1ccc(C=C2SC(=S)N(CCCC(=O)NCCc3c[nH+]c[nH]3)C2=O)cc1	ZINC000033543458	557410218	/nfs/dbraw/zinc/41/02/18/557410218.db2.gz	GCTTUJZYYFSUNX-BOPFTXTBSA-N	1	2	430.555	2.759	40	10		IFCBLO
COc1ccc(C=C2SC(=S)N(CCCC(=O)NCCc3c[nH]c[nH+]3)C2=O)cc1	ZINC000033543458	557410221	/nfs/dbraw/zinc/41/02/21/557410221.db2.gz	GCTTUJZYYFSUNX-BOPFTXTBSA-N	1	2	430.555	2.759	40	10		IFCBLO
COc1cc(N2CCOCC2)ccc1CN(CCC[NH+]1CCOCC1)Cc1cccnc1	ZINC000013569079	132350661	/nfs/dbraw/zinc/35/06/61/132350661.db2.gz	DBDMOGGBCCSQKE-UHFFFAOYSA-N	1	2	440.588	2.651	40	10		IFCBLO
COc1cccc([C@H]2[NH2+][C@H](c3cccc(OC)c3O)[C@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])c1O	ZINC000012384076	524186571	/nfs/dbraw/zinc/18/65/71/524186571.db2.gz	ZTPKNMMKKOGLOR-YKCBXCCJSA-N	1	2	447.444	2.817	40	10		IFCBLO
CC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000057671350	557257217	/nfs/dbraw/zinc/25/72/17/557257217.db2.gz	BCQSDTJMYSQHCQ-HXUWFJFHSA-N	1	2	436.516	2.732	40	10		IFCBLO
COc1cccc([C@H]2[NH2+][C@H](c3cccc(OC)c3O)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])c1O	ZINC000012384075	524187320	/nfs/dbraw/zinc/18/73/20/524187320.db2.gz	ZTPKNMMKKOGLOR-SMOSDQRPSA-N	1	2	447.444	2.817	40	10		IFCBLO
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cc[nH+]cc1	ZINC000408952569	556898831	/nfs/dbraw/zinc/89/88/31/556898831.db2.gz	OIZKUYZCEIAJGS-VCHYOVAHSA-N	1	2	430.420	2.884	40	10		IFCBLO
CC(NCC[NH+]1CCOCC1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	ZINC000017099524	557483233	/nfs/dbraw/zinc/48/32/33/557483233.db2.gz	PRJLUBZGKIJCLR-FXBPSFAMSA-N	1	2	435.484	2.542	40	10		IFCBLO
CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccc3c(c1)CCCN3C)CC2	ZINC000257316151	568718221	/nfs/dbraw/zinc/71/82/21/568718221.db2.gz	VEIZETXLCFNPNR-HXUWFJFHSA-N	1	2	434.588	2.795	40	10		IFCBLO
CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccc3c(c1)CCCN3C)CC2	ZINC000257316151	568718222	/nfs/dbraw/zinc/71/82/22/568718222.db2.gz	VEIZETXLCFNPNR-HXUWFJFHSA-N	1	2	434.588	2.795	40	10		IFCBLO
CC[N@H+](CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(OC)cc1	ZINC000225091959	557686960	/nfs/dbraw/zinc/68/69/60/557686960.db2.gz	LHYFAHGEFJKAIL-UHFFFAOYSA-N	1	2	445.541	2.544	40	10		IFCBLO
CC[N@@H+](CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(OC)cc1	ZINC000225091959	557686962	/nfs/dbraw/zinc/68/69/62/557686962.db2.gz	LHYFAHGEFJKAIL-UHFFFAOYSA-N	1	2	445.541	2.544	40	10		IFCBLO
CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccc3c(c1)CCCN3C)CC2	ZINC000257316150	568718240	/nfs/dbraw/zinc/71/82/40/568718240.db2.gz	VEIZETXLCFNPNR-FQEVSTJZSA-N	1	2	434.588	2.795	40	10		IFCBLO
CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccc3c(c1)CCCN3C)CC2	ZINC000257316150	568718243	/nfs/dbraw/zinc/71/82/43/568718243.db2.gz	VEIZETXLCFNPNR-FQEVSTJZSA-N	1	2	434.588	2.795	40	10		IFCBLO
COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=S)N(CCC[NH+]2CCOCC2)C1=O	ZINC000102726752	557306473	/nfs/dbraw/zinc/30/64/73/557306473.db2.gz	GVOIHZDKGMKRMA-LGMDPLHJSA-N	1	2	445.566	2.878	40	10		IFCBLO
COC(=O)C=C1[NH2+]N(c2ccc(OC)cc2)C([O-])=C1C(C)=[NH+]Cc1ccc2c(c1)OCO2	ZINC000013990357	557400269	/nfs/dbraw/zinc/40/02/69/557400269.db2.gz	VWTRMDBEQSBFHY-HMAPJEAMSA-N	1	2	437.452	2.753	40	10		IFCBLO