smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3	ZINC000036159651	518306696	/nfs/dbraw/zinc/30/66/96/518306696.db2.gz	YVAWEYOTQNURHF-KRWDZBQOSA-N	1	2	423.538	2.486	10	30		HEEELO
C#CCOC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3	ZINC000036159651	518306700	/nfs/dbraw/zinc/30/67/00/518306700.db2.gz	YVAWEYOTQNURHF-KRWDZBQOSA-N	1	2	423.538	2.486	10	30		HEEELO
O=C(C[N@@H+]1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1)Nc1cccc(F)c1	ZINC000328607589	569419158	/nfs/dbraw/zinc/41/91/58/569419158.db2.gz	WPYLZSSZOURENU-GOSISDBHSA-N	1	2	415.469	2.144	10	30		HEEELO
O=C(C[N@H+]1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1)Nc1cccc(F)c1	ZINC000328607589	569419159	/nfs/dbraw/zinc/41/91/59/569419159.db2.gz	WPYLZSSZOURENU-GOSISDBHSA-N	1	2	415.469	2.144	10	30		HEEELO
C#CCOC[C@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C1CC1	ZINC000104991129	560859258	/nfs/dbraw/zinc/85/92/58/560859258.db2.gz	BMAWWJSZWPAEEV-DZGCQCFKSA-N	1	2	401.532	2.085	10	30		HEEELO
C#CCOC[C@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C1CC1	ZINC000104991129	560859260	/nfs/dbraw/zinc/85/92/60/560859260.db2.gz	BMAWWJSZWPAEEV-DZGCQCFKSA-N	1	2	401.532	2.085	10	30		HEEELO
CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1	ZINC000328606952	569418659	/nfs/dbraw/zinc/41/86/59/569418659.db2.gz	UFMCSDGEQAMVKU-INIZCTEOSA-N	1	2	405.462	2.413	10	30		HEEELO
CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1	ZINC000328606952	569418660	/nfs/dbraw/zinc/41/86/60/569418660.db2.gz	UFMCSDGEQAMVKU-INIZCTEOSA-N	1	2	405.462	2.413	10	30		HEEELO
O=C(C[N@@H+]1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1)Nc1cccc(F)c1	ZINC000328607590	569419150	/nfs/dbraw/zinc/41/91/50/569419150.db2.gz	WPYLZSSZOURENU-SFHVURJKSA-N	1	2	415.469	2.144	10	30		HEEELO
O=C(C[N@H+]1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1)Nc1cccc(F)c1	ZINC000328607590	569419151	/nfs/dbraw/zinc/41/91/51/569419151.db2.gz	WPYLZSSZOURENU-SFHVURJKSA-N	1	2	415.469	2.144	10	30		HEEELO
C#CCOC[C@@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C1CC1	ZINC000036208056	518305909	/nfs/dbraw/zinc/30/59/09/518305909.db2.gz	BMAWWJSZWPAEEV-ZFWWWQNUSA-N	1	2	401.532	2.085	10	30		HEEELO
C#CCOC[C@@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C1CC1	ZINC000036208056	518305913	/nfs/dbraw/zinc/30/59/13/518305913.db2.gz	BMAWWJSZWPAEEV-ZFWWWQNUSA-N	1	2	401.532	2.085	10	30		HEEELO
C#CCOC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3	ZINC000036159647	518313796	/nfs/dbraw/zinc/31/37/96/518313796.db2.gz	YVAWEYOTQNURHF-QGZVFWFLSA-N	1	2	423.538	2.486	10	30		HEEELO
C#CCOC[C@H](O)C[N@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3	ZINC000036159647	518313805	/nfs/dbraw/zinc/31/38/05/518313805.db2.gz	YVAWEYOTQNURHF-QGZVFWFLSA-N	1	2	423.538	2.486	10	30		HEEELO
C#CCOC[C@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C1CC1	ZINC000169679140	569126563	/nfs/dbraw/zinc/12/65/63/569126563.db2.gz	BMAWWJSZWPAEEV-UKRRQHHQSA-N	1	2	401.532	2.085	10	30		HEEELO
C#CCOC[C@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C1CC1	ZINC000169679140	569126562	/nfs/dbraw/zinc/12/65/62/569126562.db2.gz	BMAWWJSZWPAEEV-UKRRQHHQSA-N	1	2	401.532	2.085	10	30		HEEELO
CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1	ZINC000328606953	569418703	/nfs/dbraw/zinc/41/87/03/569418703.db2.gz	UFMCSDGEQAMVKU-MRXNPFEDSA-N	1	2	405.462	2.413	10	30		HEEELO
CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1	ZINC000328606953	569418706	/nfs/dbraw/zinc/41/87/06/569418706.db2.gz	UFMCSDGEQAMVKU-MRXNPFEDSA-N	1	2	405.462	2.413	10	30		HEEELO
COCC(=O)Nc1ncncc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)n1	ZINC000035425607	291206265	/nfs/dbraw/zinc/20/62/65/291206265.db2.gz	AYSRPYWCACLVMB-KRWDZBQOSA-N	1	2	419.445	2.320	10	30		HEEELO
COCC(=O)Nc1ncncc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)n1	ZINC000035425607	291206266	/nfs/dbraw/zinc/20/62/66/291206266.db2.gz	AYSRPYWCACLVMB-KRWDZBQOSA-N	1	2	419.445	2.320	10	30		HEEELO
C#CCOC[C@@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C1CC1	ZINC000036208054	518306207	/nfs/dbraw/zinc/30/62/07/518306207.db2.gz	BMAWWJSZWPAEEV-HIFRSBDPSA-N	1	2	401.532	2.085	10	30		HEEELO
C#CCOC[C@@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C1CC1	ZINC000036208054	518306215	/nfs/dbraw/zinc/30/62/15/518306215.db2.gz	BMAWWJSZWPAEEV-HIFRSBDPSA-N	1	2	401.532	2.085	10	30		HEEELO