smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[C@@H]2C[C@]3(Cc4cc([N+](=O)[O-])ccc4[O-])c4ccccc4N[C@@H]3N2C(=O)[C@H](Cc2ccccc2)N1Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000027212128	561847434	/nfs/dbraw/zinc/84/74/34/561847434.db2.gz	UKEWSTWBIQOCHZ-WCISARMNSA-N	-2	0	635.633	4.401	1	10		KICFRL
O=C1[C@@H]2C[C@@]3(Cc4cc([N+](=O)[O-])ccc4[O-])c4ccccc4N[C@H]3N2C(=O)[C@H](Cc2ccccc2)N1Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000027298405	561848634	/nfs/dbraw/zinc/84/86/34/561848634.db2.gz	UKEWSTWBIQOCHZ-XKJABPBFSA-N	-2	0	635.633	4.401	1	10		KICFRL
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)Nc1ccc(N)cc1	ZINC000029556591	562032209	/nfs/dbraw/zinc/03/22/09/562032209.db2.gz	MPKJDRYXXUTOCL-SVBPBHIXSA-N	-3	0	663.709	4.032	1	10		KICFRL
Nc1c(C(=O)[O-])cc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O	ZINC000042804582	562088852	/nfs/dbraw/zinc/08/88/52/562088852.db2.gz	AXJOHCCSBPPQTG-UHFFFAOYSA-N	-2	0	529.530	4.476	1	10	in-vivo	KICFRL
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O	ZINC000044306756	562653836	/nfs/dbraw/zinc/65/38/36/562653836.db2.gz	CKNSCVWPQUUPIK-UHFFFAOYSA-N	-2	0	566.569	4.074	1	10		KICFRL
O=C([O-])[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000049678048	562668414	/nfs/dbraw/zinc/66/84/14/562668414.db2.gz	AIQHEBMTAVWQHB-SFHVURJKSA-N	-2	0	613.874	4.473	1	10		KICFRL
O=C([O-])[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000049679267	562668791	/nfs/dbraw/zinc/66/87/91/562668791.db2.gz	QPAIWOSZQHLQDZ-GOSISDBHSA-N	-2	0	551.433	4.225	1	10		KICFRL
O=C([O-])[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(I)cc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000049722803	562672563	/nfs/dbraw/zinc/67/25/63/562672563.db2.gz	FWIYDCVKDCHQKU-SFHVURJKSA-N	-2	0	705.325	4.424	1	10		KICFRL
O=C([O-])[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000049722937	562672703	/nfs/dbraw/zinc/67/27/03/562672703.db2.gz	QPAIWOSZQHLQDZ-SFHVURJKSA-N	-2	0	551.433	4.225	1	10		KICFRL
Cc1[n-]n(C(=O)c2ccc(C(C)(C)C)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000049757223	562675735	/nfs/dbraw/zinc/67/57/35/562675735.db2.gz	PWNVOGDWQJPQDN-PNCZSKEESA-N	-2	0	519.587	4.086	1	10		KICFRL
O=C([O-])[C@H](Cc1ccccc1)NC(=O)COc1ccccc1/N=N/c1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000053297691	562697495	/nfs/dbraw/zinc/69/74/95/562697495.db2.gz	PDYWQJZWTJYUCD-VTTLRWHPSA-N	-2	0	624.650	4.484	1	10		KICFRL
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)cc2)c2c1C(=O)c1ccccc1C2=O	ZINC000095587998	562774471	/nfs/dbraw/zinc/77/44/71/562774471.db2.gz	PHQUWLCYBYLYEW-UHFFFAOYSA-N	-2	0	710.702	4.382	1	10		KICFRL
Cc1[n-]n(C(=O)c2ccc(C(C)(C)C)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000101305365	562810281	/nfs/dbraw/zinc/81/02/81/562810281.db2.gz	PWNVOGDWQJPQDN-GHFCYRQVSA-N	-2	0	519.587	4.086	1	10		KICFRL
Cc1cc(Br)cc(C)c1NC(=O)C([O-])=C1C([O-])=C(CC2C(=O)c3ccccc3C2=O)C(=O)CC1(C)C	ZINC000102954838	562813700	/nfs/dbraw/zinc/81/37/00/562813700.db2.gz	NRIWQIYYJNOLDK-NQIIRXRSSA-N	-2	0	552.421	4.460	1	10		KICFRL
Cc1cc(Br)cc(C)c1NC(=O)C([O-])=C1C([O-])=C(CC2C(=O)c3ccccc3C2=O)C(=O)CC1(C)C	ZINC000102954841	562813702	/nfs/dbraw/zinc/81/37/02/562813702.db2.gz	NRIWQIYYJNOLDK-WIYYLYMNSA-N	-2	0	552.421	4.460	1	10		KICFRL
Cc1cc(Br)cc(C)c1NC(=O)C([O-])=C1C([O-])=C(CC2C(=O)c3ccccc3C2=O)C(=O)CC1(C)C	ZINC000102954842	562813712	/nfs/dbraw/zinc/81/37/12/562813712.db2.gz	NRIWQIYYJNOLDK-RXVVDRJESA-N	-2	0	552.421	4.460	1	10		KICFRL
Cc1cc(Br)cc(C)c1NC(=O)C([O-])=C1C([O-])=C(CC2C(=O)c3ccccc3C2=O)C(=O)CC1(C)C	ZINC000102954844	562813711	/nfs/dbraw/zinc/81/37/11/562813711.db2.gz	NRIWQIYYJNOLDK-GHTZIAJQSA-N	-2	0	552.421	4.460	1	10		KICFRL
COc1ccc(S(=O)(=O)[N-]c2cc(Sc3ncnc4nc[nH]c43)c([O-])c3ccccc23)cc1OC	ZINC000103267395	562822424	/nfs/dbraw/zinc/82/24/24/562822424.db2.gz	OGYAOIRZEOKQGD-UHFFFAOYSA-N	-2	0	509.569	4.181	1	10		KICFRL
Cc1ccc(S(=O)(=O)Nc2cc3c(O)c(c2)Cc2cc(S(=O)(=O)[O-])cc(c2O)Cc2cc(S(=O)(=O)[O-])cc(c2O)Cc2cc(S(=O)(=O)[O-])cc(c2O)C3)cc1	ZINC000150569453	562845063	/nfs/dbraw/zinc/84/50/63/562845063.db2.gz	TYECCARWXDLVCJ-UHFFFAOYSA-N	-3	0	833.893	4.035	1	10		KICFRL
Cc1[n-]n(-c2cc(S(=O)(=O)[O-])ccc2O)c(=O)c1N=Nc1c(NC(=O)c2ccc(N)cc2)ccc2cc(S(=O)(=O)[O-])ccc21	ZINC000169325727	562857665	/nfs/dbraw/zinc/85/76/65/562857665.db2.gz	NPNVWKQYMFRMBZ-NVQSTNCTSA-N	-3	0	638.640	4.076	1	10		KICFRL