smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN[C@H](C(=O)NCCO)C2)cc1	ZINC000257208689	352385031	/nfs/dbraw/zinc/38/50/31/352385031.db2.gz	BNFPNLBHYJZNTQ-ZDUSSCGKSA-N	0	1	279.340	-0.418	40	10		CBCBMN
Nc1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575420074	354935247	/nfs/dbraw/zinc/93/52/47/354935247.db2.gz	FGDQMNWHIAQQKX-WDEREUQCSA-N	0	1	256.327	-0.484	40	10		CBCBMN
Nc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575420071	354935154	/nfs/dbraw/zinc/93/51/54/354935154.db2.gz	FGDQMNWHIAQQKX-GHMZBOCLSA-N	0	1	256.327	-0.484	40	10		CBCBMN
Nc1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575420072	354935172	/nfs/dbraw/zinc/93/51/72/354935172.db2.gz	FGDQMNWHIAQQKX-MNOVXSKESA-N	0	1	256.327	-0.484	40	10		CBCBMN
Nc1nc2[nH]c(/N=N/SCCO)nc2c(=O)[nH]1	ZINC000017312810	351346312	/nfs/dbraw/zinc/34/63/12/351346312.db2.gz	BDJOZVYRTVFGBS-BUHFOSPRSA-N	0	1	255.263	-0.047	40	10		CBCBMN
COc1ccc(N2CCN[C@@H](C(=O)NCCO)C2)cc1	ZINC000257208688	352385664	/nfs/dbraw/zinc/38/56/64/352385664.db2.gz	BNFPNLBHYJZNTQ-CYBMUJFWSA-N	0	1	279.340	-0.418	40	10		CBCBMN
NC(=O)c1nc[nH]c1N=Nc1nc(N)c(C(N)=O)[nH]1	ZINC000104203409	295197018	/nfs/dbraw/zinc/19/70/18/295197018.db2.gz	MGHABPBWUALZRM-MSUUIHNZSA-N	0	1	263.221	-0.672	40	10		CBCBMN
NC(=O)c1nc[nH]c1N=Nc1nc(N)c(C(N)=O)[nH]1	ZINC000104203412	295197049	/nfs/dbraw/zinc/19/70/49/295197049.db2.gz	MGHABPBWUALZRM-WUKNDPDISA-N	0	1	263.221	-0.672	40	10		CBCBMN
CCc1nnc(NC=C2C(=O)NC(=O)NC2=O)s1	ZINC000006605225	170218339	/nfs/dbraw/zinc/21/83/39/170218339.db2.gz	PLQMCAJTUHRXDR-UHFFFAOYSA-N	0	1	267.270	-0.238	40	10		CBCBMN
NC(=O)COc1ccccc1C=C1C(=O)NC(=O)NC1=O	ZINC000409225090	353926776	/nfs/dbraw/zinc/92/67/76/353926776.db2.gz	ONSWCNRVTQOHPF-UHFFFAOYSA-N	0	1	289.247	-0.700	40	10		CBCBMN
CC1(C)[C@H]2CC[C@]1(C(=O)N1CCNCC1)C(=O)C2=O	ZINC000103697745	351788011	/nfs/dbraw/zinc/78/80/11/351788011.db2.gz	SCGFXIWFJNSUCW-LKFCYVNXSA-N	0	1	264.325	-0.007	40	10		CBCBMN
CC1(C)[C@@H]2CC[C@@]1(C(=O)N1CCNCC1)C(=O)C2=O	ZINC000103697747	351787845	/nfs/dbraw/zinc/78/78/45/351787845.db2.gz	SCGFXIWFJNSUCW-OTYXRUKQSA-N	0	1	264.325	-0.007	40	10		CBCBMN
Nc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575420073	354935528	/nfs/dbraw/zinc/93/55/28/354935528.db2.gz	FGDQMNWHIAQQKX-QWRGUYRKSA-N	0	1	256.327	-0.484	40	10		CBCBMN
NC(=O)COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1	ZINC000409225731	353927156	/nfs/dbraw/zinc/92/71/56/353927156.db2.gz	OJZYPXNJDZJIIK-UHFFFAOYSA-N	0	1	289.247	-0.700	40	10		CBCBMN