smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1	ZINC001164912940	721734250	/nfs/dbraw/zinc/73/42/50/721734250.db2.gz	RIPPJQGXFLJXNJ-AHWVRZQESA-N	1	3	469.624	5.151	20	0		JKADHO
CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1	ZINC001164912940	721734256	/nfs/dbraw/zinc/73/42/56/721734256.db2.gz	RIPPJQGXFLJXNJ-AHWVRZQESA-N	1	3	469.624	5.151	20	0		JKADHO
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1	ZINC001164912941	721734684	/nfs/dbraw/zinc/73/46/84/721734684.db2.gz	RIPPJQGXFLJXNJ-AOYPEHQESA-N	1	3	469.624	5.151	20	0		JKADHO
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1	ZINC001164912941	721734689	/nfs/dbraw/zinc/73/46/89/721734689.db2.gz	RIPPJQGXFLJXNJ-AOYPEHQESA-N	1	3	469.624	5.151	20	0		JKADHO
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(Cc2nn(C(C)C)c3c2CCNC3)c2nccs2)nc1	ZINC001164711572	720091239	/nfs/dbraw/zinc/09/12/39/720091239.db2.gz	QZSOJKQXUPANNN-HSZRJFAPSA-N	1	3	479.698	5.237	20	0		JKADHO
CCC[N@H+]1CCCC[C@@H]1c1ccc(N(Cc2nn(C(C)C)c3c2CCNC3)c2nccs2)nc1	ZINC001164711572	720091245	/nfs/dbraw/zinc/09/12/45/720091245.db2.gz	QZSOJKQXUPANNN-HSZRJFAPSA-N	1	3	479.698	5.237	20	0		JKADHO
CCC[N@@H+]1CCCC[C@H]1c1ccc(N(Cc2nn(C(C)C)c3c2CCNC3)c2nccs2)nc1	ZINC001164711577	720091496	/nfs/dbraw/zinc/09/14/96/720091496.db2.gz	QZSOJKQXUPANNN-QHCPKHFHSA-N	1	3	479.698	5.237	20	0		JKADHO
CCC[N@H+]1CCCC[C@H]1c1ccc(N(Cc2nn(C(C)C)c3c2CCNC3)c2nccs2)nc1	ZINC001164711577	720091501	/nfs/dbraw/zinc/09/15/01/720091501.db2.gz	QZSOJKQXUPANNN-QHCPKHFHSA-N	1	3	479.698	5.237	20	0		JKADHO
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1	ZINC001164912943	721734457	/nfs/dbraw/zinc/73/44/57/721734457.db2.gz	RIPPJQGXFLJXNJ-RSXGOPAZSA-N	1	3	469.624	5.151	20	0		JKADHO
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1	ZINC001164912943	721734459	/nfs/dbraw/zinc/73/44/59/721734459.db2.gz	RIPPJQGXFLJXNJ-RSXGOPAZSA-N	1	3	469.624	5.151	20	0		JKADHO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(N3CCCC3)cc3ccccc31)CC2	ZINC001164842366	720717415	/nfs/dbraw/zinc/71/74/15/720717415.db2.gz	YTVUBTXMUXOKGR-RUZDIDTESA-N	1	3	456.634	5.095	20	0		JKADHO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(N3CCCC3)cc3ccccc31)CC2	ZINC001164842366	720717426	/nfs/dbraw/zinc/71/74/26/720717426.db2.gz	YTVUBTXMUXOKGR-RUZDIDTESA-N	1	3	456.634	5.095	20	0		JKADHO
c1cc(-c2ccc3c(C4CN(c5ccc6c(n5)CC[N@@H+](Cc5ccccc5)C6)C4)ncn3c2)co1	ZINC001165016492	721767392	/nfs/dbraw/zinc/76/73/92/721767392.db2.gz	XDWQYODYTYRAAI-UHFFFAOYSA-N	1	3	461.569	5.151	20	0		JKADHO
c1cc(-c2ccc3c(C4CN(c5ccc6c(n5)CC[N@H+](Cc5ccccc5)C6)C4)ncn3c2)co1	ZINC001165016492	721767400	/nfs/dbraw/zinc/76/74/00/721767400.db2.gz	XDWQYODYTYRAAI-UHFFFAOYSA-N	1	3	461.569	5.151	20	0		JKADHO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(N3CCCC3)cc3ccccc31)CC2	ZINC001164842368	720716879	/nfs/dbraw/zinc/71/68/79/720716879.db2.gz	YTVUBTXMUXOKGR-VWLOTQADSA-N	1	3	456.634	5.095	20	0		JKADHO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(N3CCCC3)cc3ccccc31)CC2	ZINC001164842368	720716882	/nfs/dbraw/zinc/71/68/82/720716882.db2.gz	YTVUBTXMUXOKGR-VWLOTQADSA-N	1	3	456.634	5.095	20	0		JKADHO
FC1(F)CCN(c2[nH+]ccc3c2ccn3Cc2ccccc2)C[C@@]12CCN(Cc1ccccn1)C2	ZINC001164907687	721711396	/nfs/dbraw/zinc/71/13/96/721711396.db2.gz	SMOPOBSCPURUFJ-MHZLTWQESA-N	1	3	473.571	5.217	20	0		JKADHO
FC1(F)CCN(c2[nH+]ccc3c2ccn3Cc2ccccc2)C[C@]12CCN(Cc1ccccn1)C2	ZINC001164907681	721711909	/nfs/dbraw/zinc/71/19/09/721711909.db2.gz	SMOPOBSCPURUFJ-HHHXNRCGSA-N	1	3	473.571	5.217	20	0		JKADHO
CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1	ZINC001164912942	721734848	/nfs/dbraw/zinc/73/48/48/721734848.db2.gz	RIPPJQGXFLJXNJ-AZGAKELHSA-N	1	3	469.624	5.151	20	0		JKADHO
CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1	ZINC001164912942	721734852	/nfs/dbraw/zinc/73/48/52/721734852.db2.gz	RIPPJQGXFLJXNJ-AZGAKELHSA-N	1	3	469.624	5.151	20	0		JKADHO