smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C[NH+]2CCOCC2)c(C)n1-c1ccc(C)cc1	ZINC000226033206	376339577	/nfs/dbraw/zinc/33/95/77/376339577.db2.gz	ZCOHSOXWCDZPKM-UHFFFAOYSA-N	1	1	284.403	3.235	40	10		CGCBMO
C[C@H]1C[C@H]2c3cccc4c3c(cn4C)C[C@@H]2[N@@H+](C)C1	ZINC000001575222	368418976	/nfs/dbraw/zinc/41/89/76/368418976.db2.gz	ADPVUBKUMMKOKD-PJODQICGSA-N	1	1	254.377	3.158	40	10		CGCBMO
Cc1ccc(C)n1-c1ncccc1[C@H]1CCC[N@@H+]1C	ZINC000072216808	369815040	/nfs/dbraw/zinc/81/50/40/369815040.db2.gz	GVQICVZQQROCAL-OAHLLOKOSA-N	1	1	255.365	3.256	40	10		CGCBMO
COc1cccc(C[N@H+]2CCCC[C@H]2C(C)C)c1O	ZINC000093444121	541981432	/nfs/dbraw/zinc/98/14/32/541981432.db2.gz	NYXAIVFQBRHYPY-AWEZNQCLSA-N	1	1	263.381	3.411	40	10		CGCBMO
COc1cccc(C[N@H+]2CCCC[C@@H]2C(C)C)c1O	ZINC000093444122	541981347	/nfs/dbraw/zinc/98/13/47/541981347.db2.gz	NYXAIVFQBRHYPY-CQSZACIVSA-N	1	1	263.381	3.411	40	10		CGCBMO
Cn1ccc([C@H]2CCCCC[N@H+]2Cc2ccccc2O)n1	ZINC000019291095	294361611	/nfs/dbraw/zinc/36/16/11/294361611.db2.gz	YLYYUPBHSHWQHM-MRXNPFEDSA-N	1	1	285.391	3.243	40	10		CGCBMO
Cc1ccc(C)n1-c1ncccc1[C@@H]1CCC[N@@H+]1C	ZINC000072216807	369814983	/nfs/dbraw/zinc/81/49/83/369814983.db2.gz	GVQICVZQQROCAL-HNNXBMFYSA-N	1	1	255.365	3.256	40	10		CGCBMO
Nc1ccc(OC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1	ZINC000575422859	377907331	/nfs/dbraw/zinc/90/73/31/377907331.db2.gz	JKOOLAQNNYPCPP-KRWDZBQOSA-N	1	1	282.387	3.312	40	10		CGCBMO
Cn1ccc([C@@H]2CCCCC[N@H+]2Cc2ccccc2O)n1	ZINC000019291093	368748225	/nfs/dbraw/zinc/74/82/25/368748225.db2.gz	YLYYUPBHSHWQHM-INIZCTEOSA-N	1	1	285.391	3.243	40	10		CGCBMO
Cc1[nH+]ccn1/C=C1\C(=O)N(c2ccc(C)c(C)c2)N=C1C	ZINC000005530161	282200941	/nfs/dbraw/zinc/20/09/41/282200941.db2.gz	YWXQFUVBRKSHPG-YBEGLDIGSA-N	1	1	294.358	3.072	40	10		CGCBMO
C[C@@H]1C[C@H]2c3cccc4c3c(cn4C)C[C@@H]2[N@@H+](C)C1	ZINC000005141622	368561495	/nfs/dbraw/zinc/56/14/95/368561495.db2.gz	ADPVUBKUMMKOKD-WPGHFRTFSA-N	1	1	254.377	3.158	40	10		CGCBMO
Nc1ccc(OC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1	ZINC000575422862	377907434	/nfs/dbraw/zinc/90/74/34/377907434.db2.gz	JKOOLAQNNYPCPP-QGZVFWFLSA-N	1	1	282.387	3.312	40	10		CGCBMO
Cc1ccc(C)n1-c1ccc(C2=[NH+]CCCC2)cn1	ZINC000072216773	256710018	/nfs/dbraw/zinc/71/00/18/256710018.db2.gz	BIIBYDPZFDXJDH-UHFFFAOYSA-N	1	1	253.349	3.462	40	10		CGCBMO
CCCCOc1ccc(N=Nc2ccc(N)[nH+]c2N)cn1	ZINC000253977919	377703705	/nfs/dbraw/zinc/70/37/05/377703705.db2.gz	WAWDOEHEAULMGC-UHFFFAOYSA-N	1	1	286.339	3.235	40	10		CGCBMO
Cc1ccc(C)n1-c1ccc([C@H]2CCC[N@@H+]2C)cn1	ZINC000072216748	392200631	/nfs/dbraw/zinc/20/06/31/392200631.db2.gz	QRODJCQWDGYTRE-OAHLLOKOSA-N	1	1	255.365	3.256	40	10		CGCBMO
C[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@@H]2[N@@H+](C)C1	ZINC000005141613	368561340	/nfs/dbraw/zinc/56/13/40/368561340.db2.gz	ADPVUBKUMMKOKD-XFJVYGCCSA-N	1	1	254.377	3.158	40	10		CGCBMO
Cc1ccc(C)n1-c1ccc([C@@H]2CCC[N@@H+]2C)cn1	ZINC000072216747	392200111	/nfs/dbraw/zinc/20/01/11/392200111.db2.gz	QRODJCQWDGYTRE-HNNXBMFYSA-N	1	1	255.365	3.256	40	10		CGCBMO
CC[NH+](CC)c1ccc(-n2c(C)cc(CO)c2C)cc1	ZINC000008701608	170347082	/nfs/dbraw/zinc/34/70/82/170347082.db2.gz	XPJVFFGWRSIAAQ-UHFFFAOYSA-N	1	1	272.392	3.433	40	10		CGCBMO
C[C@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@@H]2[N@@H+](C)C1	ZINC000005159306	368561392	/nfs/dbraw/zinc/56/13/92/368561392.db2.gz	ADPVUBKUMMKOKD-PEYYIBSZSA-N	1	1	254.377	3.158	40	10		CGCBMO