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(=O)N=c1[nH]c2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC(=O)NCCN(C)C	ZINC000004237016	518975516	/nfs/dbraw/zinc/97/55/16/518975516.db2.gz	RSASEUMXQROOAO-FJPMOXAOSA-N	0	3	494.658	2.361	40	30	biogenic,in-vitro	JEEBHN
CCOC(=O)[C@@H](C(C)=O)C(C(C)=O)c1cc(N)nc(NC(=N)Nc2cc(Cl)ccc2OC)n1	ZINC000035376443	520998359	/nfs/dbraw/zinc/99/83/59/520998359.db2.gz	OJFWZXKOFJULDG-MSOLQXFVSA-N	0	3	476.921	2.220	40	30		JEEBHN
CC(=O)N1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NC(=O)c4ccc(C#N)cc4)c23)CC1	ZINC000015672364	555929335	/nfs/dbraw/zinc/92/93/35/555929335.db2.gz	IHBJBNQMPMBMMD-PZJWPPBQSA-N	0	3	459.550	2.402	40	30	biogenic,in-vitro	JEEBHN
N#CNC(=NCCCOc1cccc(CN2CCCCC2)c1)NCCNC(=O)c1ccc(N)cc1	ZINC000014979634	526428687	/nfs/dbraw/zinc/42/86/87/526428687.db2.gz	CICDSYWWNDGAGD-UHFFFAOYSA-N	0	3	477.613	2.470	40	30	in-vitro	JEEBHN
CCC(=N\NC(=S)NCCN1CCCCC1)/C(CC)=N/NC(=S)NCCN1CCCCC1	ZINC000005572758	521067526	/nfs/dbraw/zinc/06/75/26/521067526.db2.gz	PKTSZWVEIDJBJO-FQHZWJPGSA-N	0	3	482.768	2.418	40	30		JEEBHN
CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC2CCN(C)CC2)C1	ZINC000059490003	569606046	/nfs/dbraw/zinc/60/60/46/569606046.db2.gz	UFIHHGRJNNURET-KRWDZBQOSA-N	0	3	494.618	2.357	40	30		JEEBHN
N#Cc1cccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCN(c3ncccn3)CC2)c1	ZINC000067870879	560050461	/nfs/dbraw/zinc/05/04/61/560050461.db2.gz	FEWQYKVMTUALGP-QNWVGRARSA-N	0	3	460.586	2.002	40	30	biogenic,in-vitro	JEEBHN
C[C@@H](O)[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@H]1C	ZINC000008436987	554588053	/nfs/dbraw/zinc/58/80/53/554588053.db2.gz	UEIVQYHYALXCBD-OTUJEKPESA-N	0	3	469.619	2.164	40	30	biogenic,in-vitro	JEEBHN
CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC2CCN(C)CC2)C1	ZINC000059490002	569606033	/nfs/dbraw/zinc/60/60/33/569606033.db2.gz	UFIHHGRJNNURET-QGZVFWFLSA-N	0	3	494.618	2.357	40	30		JEEBHN