smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)COc1c(I)cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1OCC	ZINC000000658812	551514568	/nfs/dbraw/zinc/51/45/68/551514568.db2.gz	USOPJMJGCWRADI-IZZDOVSWSA-N	-1	1	518.329	1.888	50	10		KDCAMM
O=C([O-])COc1c(I)cc(C=C2C(=O)NC(=O)NC2=O)cc1I	ZINC000008444734	553051505	/nfs/dbraw/zinc/05/15/05/553051505.db2.gz	CHJCQRFDTUQCQU-UHFFFAOYSA-N	-1	1	542.023	1.109	50	10		KDCAMM
COCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccc(OC)cc4)C[C@@H]32)C1=O	ZINC000008974941	553196079	/nfs/dbraw/zinc/19/60/79/553196079.db2.gz	PQIJJPXKKOXSIB-PXDATVDWSA-N	-1	1	509.519	1.566	50	10		KDCAMM
COCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccc(OC)cc4)C[C@@H]32)C1=O	ZINC000008974942	553196053	/nfs/dbraw/zinc/19/60/53/553196053.db2.gz	PQIJJPXKKOXSIB-BWKNWUBXSA-N	-1	1	509.519	1.566	50	10		KDCAMM
CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)[N-]C(=S)N(C5CC5)C4=O)ccc3N3CCC[C@@H]32)C1=O	ZINC000009429126	553260799	/nfs/dbraw/zinc/26/07/99/553260799.db2.gz	SXDRLWBLTDPKEK-QIPHDZALSA-N	-1	1	507.572	1.449	50	10		KDCAMM
CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)[N-]C(=S)N(C5CC5)C4=O)ccc3N3CCC[C@H]32)C1=O	ZINC000009429130	553260767	/nfs/dbraw/zinc/26/07/67/553260767.db2.gz	SXDRLWBLTDPKEK-FYXHJSOBSA-N	-1	1	507.572	1.449	50	10		KDCAMM
CC(C)N1C(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009430084	553260941	/nfs/dbraw/zinc/26/09/41/553260941.db2.gz	VELALLOJOQHTHP-MUMAZLPKSA-N	-1	1	509.588	1.695	50	10		KDCAMM
CC(C)N1C(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009430086	553260990	/nfs/dbraw/zinc/26/09/90/553260990.db2.gz	VELALLOJOQHTHP-QMJOVRGKSA-N	-1	1	509.588	1.695	50	10		KDCAMM
CC(C)N1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009430191	553261012	/nfs/dbraw/zinc/26/10/12/553261012.db2.gz	FKSIHRAXDUPCAF-FXFXYLOPSA-N	-1	1	524.603	1.196	50	10		KDCAMM
CC(C)N1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009430193	553260987	/nfs/dbraw/zinc/26/09/87/553260987.db2.gz	FKSIHRAXDUPCAF-QIPRVMPFSA-N	-1	1	524.603	1.196	50	10		KDCAMM
COc1ccc(N2CCN(C(=O)c3c[n-]c4ccc(S(=O)(=O)N5CCOCC5)cc4c3=O)CC2)cc1	ZINC000009434195	553263797	/nfs/dbraw/zinc/26/37/97/553263797.db2.gz	PRYANBAVWOZQNB-UHFFFAOYSA-N	-1	1	512.588	1.520	50	10		KDCAMM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCCCN1CCN(c3ccc(OC)cc3)CC1)c2=O	ZINC000032959221	553881899	/nfs/dbraw/zinc/88/18/99/553881899.db2.gz	PQSVAWHCMFDVKA-UHFFFAOYSA-N	-1	1	525.631	1.809	50	10		KDCAMM
CN1C(=O)C(=CN[C@@H](Cc2cc(I)c(O)c(I)c2)C(=O)[O-])C(=O)N(C)C1=O	ZINC000070699984	553617508	/nfs/dbraw/zinc/61/75/08/553617508.db2.gz	MOLLPFCWGCWKHC-NSHDSACASA-N	-1	1	599.119	1.121	50	10	biogenic	KDCAMM
CN1C(=O)C(=CN[C@H](Cc2cc(I)c(O)c(I)c2)C(=O)[O-])C(=O)N(C)C1=O	ZINC000070699987	553617493	/nfs/dbraw/zinc/61/74/93/553617493.db2.gz	MOLLPFCWGCWKHC-LLVKDONJSA-N	-1	1	599.119	1.121	50	10	biogenic	KDCAMM
CN1C(=O)NC(=O)/C(=C/c2cc(I)c(OCC(=O)[O-])c(I)c2)C1=O	ZINC000097960527	553871919	/nfs/dbraw/zinc/87/19/19/553871919.db2.gz	GXNPTYFEECJIFU-UQCOIBPSSA-N	-1	1	556.050	1.451	50	10		KDCAMM
CCCCN1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C(=O)[N-]C1=S	ZINC000101353329	554739007	/nfs/dbraw/zinc/73/90/07/554739007.db2.gz	USHPJNJKZRYBRX-DQSGYLJSSA-N	-1	1	538.630	1.999	50	10		KDCAMM
CCCCN1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)[N-]C1=S	ZINC000101353334	554738996	/nfs/dbraw/zinc/73/89/96/554738996.db2.gz	USHPJNJKZRYBRX-FLXZHSAZSA-N	-1	1	538.630	1.999	50	10		KDCAMM
CC[C@@H](C)N1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C(=O)[N-]C1=S	ZINC000101366000	554743730	/nfs/dbraw/zinc/74/37/30/554743730.db2.gz	FYJLHBITUFEPJX-JIDXZYTMSA-N	-1	1	538.630	1.997	50	10		KDCAMM
CC[C@H](C)N1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C(=O)[N-]C1=S	ZINC000101366002	554743709	/nfs/dbraw/zinc/74/37/09/554743709.db2.gz	FYJLHBITUFEPJX-MATYYMKSSA-N	-1	1	538.630	1.997	50	10		KDCAMM
CC[C@@H](C)N1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)[N-]C1=S	ZINC000101366007	554743770	/nfs/dbraw/zinc/74/37/70/554743770.db2.gz	FYJLHBITUFEPJX-UAEIYHETSA-N	-1	1	538.630	1.997	50	10		KDCAMM
CC[C@H](C)N1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)[N-]C1=S	ZINC000101366008	554743781	/nfs/dbraw/zinc/74/37/81/554743781.db2.gz	FYJLHBITUFEPJX-CEJNFTSLSA-N	-1	1	538.630	1.997	50	10		KDCAMM
CC1CCN(S(=O)(=O)N2CCN(C(=O)c3cc([N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)ccc3O)CC2)CC1	ZINC000102798335	555072142	/nfs/dbraw/zinc/07/21/42/555072142.db2.gz	VZUDWOJEHXGHJP-UHFFFAOYSA-N	-1	1	567.646	1.836	50	10		KDCAMM
C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C[C@H](C)O1	ZINC000102798369	555072171	/nfs/dbraw/zinc/07/21/71/555072171.db2.gz	OZXKAEDGCWSYQE-GASCZTMLSA-N	-1	1	542.592	1.270	50	10		KDCAMM
C[C@H]1CN(S(=O)(=O)CCNC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C[C@H](C)O1	ZINC000102798371	555072198	/nfs/dbraw/zinc/07/21/98/555072198.db2.gz	OZXKAEDGCWSYQE-GJZGRUSLSA-N	-1	1	542.592	1.270	50	10		KDCAMM
C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C[C@@H](C)O1	ZINC000102798372	555072262	/nfs/dbraw/zinc/07/22/62/555072262.db2.gz	OZXKAEDGCWSYQE-HUUCEWRRSA-N	-1	1	542.592	1.270	50	10		KDCAMM
CNS(=O)(=O)c1cccc(CNC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)c1	ZINC000102798553	555072221	/nfs/dbraw/zinc/07/22/21/555072221.db2.gz	HZCJRWMMBAJEDK-UHFFFAOYSA-N	-1	1	520.545	1.939	50	10		KDCAMM
COCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccc(OC)cc4)C[C@H]32)C1=O	ZINC000229906014	572167995	/nfs/dbraw/zinc/16/79/95/572167995.db2.gz	PQIJJPXKKOXSIB-OFVILXPXSA-N	-1	1	509.519	1.566	50	10		KDCAMM
COCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccc(OC)cc4)C[C@H]32)C1=O	ZINC000229906022	572167954	/nfs/dbraw/zinc/16/79/54/572167954.db2.gz	PQIJJPXKKOXSIB-SQJMNOBHSA-N	-1	1	509.519	1.566	50	10		KDCAMM
COc1cc(O)c2c(c1)C(=O)c1cc3c(c([O-])c1C2=O)[C@@H](O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1OC)C[C@](C)(O)C3	ZINC000245240141	572213755	/nfs/dbraw/zinc/21/37/55/572213755.db2.gz	OLPGXNLHFAJTBC-JJPDZDKISA-N	-1	1	530.526	1.118	50	10		KDCAMM
COc1cc(O)c2c(c1)C(=O)c1cc3c(c([O-])c1C2=O)[C@@H](O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@@H]1OC)C[C@](C)(O)C3	ZINC000245240142	572213701	/nfs/dbraw/zinc/21/37/01/572213701.db2.gz	OLPGXNLHFAJTBC-OGDCUHENSA-N	-1	1	530.526	1.118	50	10		KDCAMM
O=c1c(-c2ccc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)coc2c(CN3CCCC3)c([O-])c(C[NH+]3CCCC3)c([O-])c12	ZINC000253531258	572298679	/nfs/dbraw/zinc/29/86/79/572298679.db2.gz	XHWRQXJLYSFVAP-IOHUCTESSA-N	-1	1	598.649	1.242	50	10		KDCAMM
O=c1c(-c2ccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)coc2c(CN3CCCC3)c([O-])c(C[NH+]3CCCC3)c([O-])c12	ZINC000253531259	195474573	/nfs/dbraw/zinc/47/45/73/195474573.db2.gz	XHWRQXJLYSFVAP-UKEBATRDSA-N	-1	1	598.649	1.242	50	10		KDCAMM