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([N-]c1ccccc1SC1CCCC1)c1ccc(Cl)o1	ZINC000025267055	337305477	/nfs/dbraw/zinc/30/54/77/337305477.db2.gz	LSYWLCZWFHSPCU-UHFFFAOYSA-N	-1	3	321.829	5.220	20	0		DKADHM
Cc1sc(-c2ccccc2[O-])nc1-c1ccc(Cl)cc1	ZINC000048785607	334299273	/nfs/dbraw/zinc/29/92/73/334299273.db2.gz	NRSIKFFUOVZJPA-UHFFFAOYSA-N	-1	3	301.798	5.145	20	0		DKADHM
Cc1sc(-c2ccccc2[O-])nc1-c1cccc(Cl)c1	ZINC000048785624	334299236	/nfs/dbraw/zinc/29/92/36/334299236.db2.gz	ARKQCXIUQISISD-UHFFFAOYSA-N	-1	3	301.798	5.145	20	0		DKADHM
CCOc1cc(CNc2ccc(C(C)C)cc2)cc(Cl)c1[O-]	ZINC000076275269	331594629	/nfs/dbraw/zinc/59/46/29/331594629.db2.gz	VYBSLGCETUQTJE-UHFFFAOYSA-N	-1	3	319.832	5.180	20	0		DKADHM
Cc1c2ccccc2oc1-c1csc(-c2ccccc2[O-])n1	ZINC000110797351	334295317	/nfs/dbraw/zinc/29/53/17/334295317.db2.gz	SENOPHOIQBRKRX-UHFFFAOYSA-N	-1	3	307.374	5.237	20	0		DKADHM
O=C([N-]c1ccsc1Cl)c1ccc(Oc2ccccc2)o1	ZINC000187850968	334276995	/nfs/dbraw/zinc/27/69/95/334276995.db2.gz	CMJFGYRCMZWLAK-UHFFFAOYSA-N	-1	3	319.769	5.039	20	0		DKADHM
O=C([N-]c1ccccc1SC1CCCC1)c1ccoc1Cl	ZINC000192394801	336030594	/nfs/dbraw/zinc/03/05/94/336030594.db2.gz	XRCMNSBBPKHEMG-UHFFFAOYSA-N	-1	3	321.829	5.220	20	0		DKADHM
c1csc(C([N-]c2nc3ccccc3o2)c2cccs2)c1	ZINC000301358161	336302436	/nfs/dbraw/zinc/30/24/36/336302436.db2.gz	LIWZXZDBMCHRLI-UHFFFAOYSA-N	-1	3	312.419	5.152	20	0		DKADHM
CC(C)(C)c1cc2c([n-]c(-c3ccc(Cl)s3)nc2=O)s1	ZINC000303464981	340326785	/nfs/dbraw/zinc/32/67/85/340326785.db2.gz	PCNPXPZQIJXXMP-UHFFFAOYSA-N	-1	3	324.858	5.076	20	0		DKADHM
[O-]c1ccccc1-c1nc(-c2cccc(C(F)(F)F)c2)cs1	ZINC000315282947	337984061	/nfs/dbraw/zinc/98/40/61/337984061.db2.gz	GWDPPEXBFVXXOK-UHFFFAOYSA-N	-1	3	321.323	5.202	20	0		DKADHM
C[C@@H](NCc1cccc([O-])c1Cl)c1cccc2ccccc21	ZINC000328079412	337792439	/nfs/dbraw/zinc/79/24/39/337792439.db2.gz	AGPJNXBGXXAGSB-CYBMUJFWSA-N	-1	3	311.812	5.050	20	0		DKADHM
C[C@H](NCc1cccc([O-])c1Cl)c1cccc2ccccc21	ZINC000328079416	337792442	/nfs/dbraw/zinc/79/24/42/337792442.db2.gz	AGPJNXBGXXAGSB-ZDUSSCGKSA-N	-1	3	311.812	5.050	20	0		DKADHM
CCCc1cc(=O)[n-]c(C(=CC(C)=Cc2ccccc2)CC)n1	ZINC000435338942	338237495	/nfs/dbraw/zinc/23/74/95/338237495.db2.gz	LWCYXMLHUWANIS-AYCYWLMJSA-N	-1	3	308.425	5.032	20	0		DKADHM
CCCc1cc(=O)[n-]c(C(=CC(C)=Cc2ccccc2)CC)n1	ZINC000435338943	338237508	/nfs/dbraw/zinc/23/75/08/338237508.db2.gz	LWCYXMLHUWANIS-KDOCSACZSA-N	-1	3	308.425	5.032	20	0		DKADHM
Cc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c([O-])c1	ZINC000436731137	338284524	/nfs/dbraw/zinc/28/45/24/338284524.db2.gz	NXAJCPILDFQTIU-UHFFFAOYSA-N	-1	3	311.425	5.200	20	0		DKADHM
CCCn1c(C)cc(-c2csc(-c3ccccc3[O-])n2)c1C	ZINC000436749792	338285345	/nfs/dbraw/zinc/28/53/45/338285345.db2.gz	UHMNKOSZDUHWHT-UHFFFAOYSA-N	-1	3	312.438	5.011	20	0		DKADHM
Cc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1[O-]	ZINC000436927521	338293903	/nfs/dbraw/zinc/29/39/03/338293903.db2.gz	RSTKJSYVRWFVAC-UHFFFAOYSA-N	-1	3	311.425	5.200	20	0		DKADHM
CCSc1cccc(F)c1[N-]C(=O)c1cc(C(C)C)oc1C	ZINC000484937453	339696304	/nfs/dbraw/zinc/69/63/04/339696304.db2.gz	PDYYFGWDWHTNCW-UHFFFAOYSA-N	-1	3	321.417	5.215	20	0		DKADHM
Cc1c2ccccc2oc1-c1nc(=O)c2c(C(C)C)csc2[n-]1	ZINC000485143860	339699095	/nfs/dbraw/zinc/69/90/95/339699095.db2.gz	FRPIVWKIYARTNL-UHFFFAOYSA-N	-1	3	324.405	5.242	20	0		DKADHM
Cc1ccc(F)c(C(=O)[N-]c2ccccc2SC(C)C)c1F	ZINC000499495354	340037858	/nfs/dbraw/zinc/03/78/58/340037858.db2.gz	BFEAKSUJPCFEEU-UHFFFAOYSA-N	-1	3	321.392	5.026	20	0		DKADHM
CSc1ccc(Cl)cc1[N-]C(=O)c1sccc1Cl	ZINC000508426635	340243634	/nfs/dbraw/zinc/24/36/34/340243634.db2.gz	PBDQPJQWCJMSOG-UHFFFAOYSA-N	-1	3	318.250	5.029	20	0		DKADHM
CCOc1cc(CNc2cccc(C(C)C)c2)cc(Cl)c1[O-]	ZINC000512938947	340384809	/nfs/dbraw/zinc/38/48/09/340384809.db2.gz	GTGCXJLPQNVTAV-UHFFFAOYSA-N	-1	3	319.832	5.180	20	0		DKADHM
CSc1ccc(Cl)cc1[N-]C(=O)c1occc1C(C)C	ZINC000514664486	336397041	/nfs/dbraw/zinc/39/70/41/336397041.db2.gz	WEROQVQOWURFKZ-UHFFFAOYSA-N	-1	3	309.818	5.031	20	0		DKADHM
CC(C)Sc1ccccc1[N-]C(=O)c1sccc1Cl	ZINC000552349105	341388395	/nfs/dbraw/zinc/38/83/95/341388395.db2.gz	XEBZZVRVAYVMPF-UHFFFAOYSA-N	-1	3	311.859	5.154	20	0		DKADHM
CC(C)c1ccccc1NC(=O)c1cc2cc(Cl)sc2[n-]1	ZINC000582838305	337207325	/nfs/dbraw/zinc/20/73/25/337207325.db2.gz	FWXJZMWHEDQZPF-UHFFFAOYSA-N	-1	3	318.829	5.259	20	0		DKADHM