smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])/C=C/C(=O)c1cc(Br)ccc1O	ZINC000072207234	390244869	/nfs/dbraw/zinc/24/48/69/390244869.db2.gz	SBZSGCPCWJYOFQ-ONEGZZNKSA-N	-1	2	271.066	1.978	40	30		CDEBLM
O=C(N[C@@H]1c2ccsc2/C(=N\[O-])[C@H]1O)C(F)(F)F	ZINC000104315540	358955158	/nfs/dbraw/zinc/95/51/58/358955158.db2.gz	XXPSPOTXMUYWET-BPJJZCAYSA-N	-1	2	280.227	1.021	40	30		CDEBLM
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=N\O)cc1/C=N\[O-]	ZINC000004701213	304801181	/nfs/dbraw/zinc/80/11/81/304801181.db2.gz	MIVQDXLJUZCALX-UIYSNZQUSA-N	-1	2	254.158	1.119	40	30		CDEBLM
CC(C)(C=O)[C@H](c1ccccc1)C(C(=O)[O-])C(=O)O	ZINC000003843410	169914824	/nfs/dbraw/zinc/91/48/24/169914824.db2.gz	OQMWVIRVFYXWOP-LLVKDONJSA-N	-1	2	264.277	1.781	40	30		CDEBLM
Cc1ccc(N/N=C2/C(=O)[N-]C(=O)NC2=O)cc1C	ZINC000058899939	375834064	/nfs/dbraw/zinc/83/40/64/375834064.db2.gz	FJWYRRNYACOAHE-UHFFFAOYSA-N	-1	2	260.253	1.278	40	30		CDEBLM
Cc1ccc(N/N=C2\C(=O)[N-]C(=O)NC2=O)cc1C	ZINC000058899939	375834071	/nfs/dbraw/zinc/83/40/71/375834071.db2.gz	FJWYRRNYACOAHE-UHFFFAOYSA-N	-1	2	260.253	1.278	40	30		CDEBLM
O=C(N[C@H]1c2ccsc2/C(=N/[O-])[C@H]1O)C(F)(F)F	ZINC000005822585	303995667	/nfs/dbraw/zinc/99/56/67/303995667.db2.gz	XXPSPOTXMUYWET-UJAKGBBPSA-N	-1	2	280.227	1.021	40	30		CDEBLM
N#Cc1c(=O)[n-]c(=O)[nH]c1-c1c(O)ccc2ccccc21	ZINC000408718562	303177479	/nfs/dbraw/zinc/17/74/79/303177479.db2.gz	YVPDBGMCCFAQBL-UHFFFAOYSA-N	-1	2	279.255	1.873	40	30		CDEBLM
N#Cc1cc(Br)c(O)c(CC(=O)[O-])c1	ZINC000225723737	393197473	/nfs/dbraw/zinc/19/74/73/393197473.db2.gz	QKBNSLHNEATBKW-UHFFFAOYSA-N	-1	2	256.055	1.653	40	30		CDEBLM
O=C(N[C@@H]1c2ccsc2/C(=N/[O-])[C@H]1O)C(F)(F)F	ZINC000038183507	174136118	/nfs/dbraw/zinc/13/61/18/174136118.db2.gz	XXPSPOTXMUYWET-YLWHLKLDSA-N	-1	2	280.227	1.021	40	30		CDEBLM
CC(C)(C=O)[C@@H](c1ccccc1)C(C(=O)[O-])C(=O)O	ZINC000003843409	356009731	/nfs/dbraw/zinc/00/97/31/356009731.db2.gz	OQMWVIRVFYXWOP-NSHDSACASA-N	-1	2	264.277	1.781	40	30		CDEBLM
Cc1ccc(C)c(N/N=C2/C(=O)[N-]C(=O)NC2=O)c1	ZINC000016290951	356435638	/nfs/dbraw/zinc/43/56/38/356435638.db2.gz	XESWXNJBDSGWKL-UHFFFAOYSA-N	-1	2	260.253	1.278	40	30		CDEBLM
Cc1ccc(C)c(N/N=C2\C(=O)[N-]C(=O)NC2=O)c1	ZINC000016290951	356435641	/nfs/dbraw/zinc/43/56/41/356435641.db2.gz	XESWXNJBDSGWKL-UHFFFAOYSA-N	-1	2	260.253	1.278	40	30		CDEBLM
O=C(N[C@H]1c2ccsc2/C(=N\[O-])[C@H]1O)C(F)(F)F	ZINC000104315537	358955193	/nfs/dbraw/zinc/95/51/93/358955193.db2.gz	XXPSPOTXMUYWET-PHZCRKQBSA-N	-1	2	280.227	1.021	40	30		CDEBLM
Cc1[nH]c(=O)c(C#N)c(C(=O)[O-])c1Br	ZINC000225724632	375191603	/nfs/dbraw/zinc/19/16/03/375191603.db2.gz	BFCKAHTYGPOROM-UHFFFAOYSA-N	-1	2	257.043	1.016	40	30		CDEBLM