smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(Cl)c(C)cc1NCc1cc(Cl)ccc1[O-]	ZINC000020546112	182229741	/nfs/dbraw/zinc/22/97/41/182229741.db2.gz	ATDUSCAUTHGCMK-UHFFFAOYSA-N	-1	3	312.196	4.628	50	10		DJCAHM
[O-]c1c(Cl)cc(Cl)cc1[C@@H](c1ccccc1)N1CCCC1	ZINC000032801385	563396469	/nfs/dbraw/zinc/39/64/69/563396469.db2.gz	FSVHXEZIOSQDFI-MRXNPFEDSA-N	-1	3	322.235	4.884	50	10		DJCAHM
Cc1ccc(C2=N[C@@H](CC(C)C)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000004729253	181143618	/nfs/dbraw/zinc/14/36/18/181143618.db2.gz	DCCKZGYMJGWWSB-PZJWPPBQSA-N	-1	3	322.452	4.597	50	10		DJCAHM
[O-]c1ccc(Cl)cc1CNc1cccc(OC(F)(F)F)c1	ZINC000021050102	256529162	/nfs/dbraw/zinc/52/91/62/256529162.db2.gz	FYNLUFROMXUMJA-UHFFFAOYSA-N	-1	3	317.694	4.556	50	10		DJCAHM
CCCC(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000000298117	180750832	/nfs/dbraw/zinc/75/08/32/180750832.db2.gz	QNSRETRZMMMUCH-NRFANRHFSA-N	-1	3	319.404	4.551	50	10		DJCAHM
Cc1ccc(C2=N[C@H](CC(C)C)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000004729254	181143989	/nfs/dbraw/zinc/14/39/89/181143989.db2.gz	DCCKZGYMJGWWSB-CTNGQTDRSA-N	-1	3	322.452	4.597	50	10		DJCAHM
[O-]c1ccc(Cl)cc1CNc1ccc(C(F)(F)F)cc1	ZINC000021812996	182292832	/nfs/dbraw/zinc/29/28/32/182292832.db2.gz	CPDDMKMZJSQVNJ-UHFFFAOYSA-N	-1	3	301.695	4.677	50	10		DJCAHM
O=C([O-])c1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000019596408	182133387	/nfs/dbraw/zinc/13/33/87/182133387.db2.gz	FNNMCOQMDNRQHG-UHFFFAOYSA-N	-1	3	314.344	4.830	50	10		DJCAHM
CCn1c2ccccc2nc1N[C@H](C)c1cc(Cl)ccc1[O-]	ZINC000000111460	563218588	/nfs/dbraw/zinc/21/85/88/563218588.db2.gz	VMYQUMRRLMDEMS-LLVKDONJSA-N	-1	3	315.804	4.588	50	10		DJCAHM
[O-]c1ccc2ccccc2c1[C@@H]1Nc2ccccc2-n2cccc21	ZINC000000138132	563222718	/nfs/dbraw/zinc/22/27/18/563222718.db2.gz	PSTSOVPNAZHFPV-OAQYLSRUSA-N	-1	3	312.372	4.851	50	10		DJCAHM
CC(C)n1c2ccccc2nc1NCc1cc(Cl)ccc1[O-]	ZINC000000520864	563664069	/nfs/dbraw/zinc/66/40/69/563664069.db2.gz	BFCCZMNFROWULC-UHFFFAOYSA-N	-1	3	315.804	4.588	50	10		DJCAHM
[O-]c1ccc2ccccc2c1CNc1cnc2ccccc2c1	ZINC000000554314	563669765	/nfs/dbraw/zinc/66/97/65/563669765.db2.gz	LNVSFKTWZHFXGK-UHFFFAOYSA-N	-1	3	300.361	4.706	50	10		DJCAHM
Cc1ccc(C2=N[C@@H](CC(C)C)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000004729255	181143636	/nfs/dbraw/zinc/14/36/36/181143636.db2.gz	DCCKZGYMJGWWSB-TZIWHRDSSA-N	-1	3	322.452	4.597	50	10		DJCAHM
[O-]c1ccc(Cl)cc1CNc1cc(Cl)cc(Cl)c1	ZINC000020559283	182231578	/nfs/dbraw/zinc/23/15/78/182231578.db2.gz	JIGKLUJWEBRQRY-UHFFFAOYSA-N	-1	3	302.588	4.965	50	10		DJCAHM
[O-]c1ccc2ccccc2c1[C@H]1Nc2ccccc2-n2cccc21	ZINC000000138135	563222596	/nfs/dbraw/zinc/22/25/96/563222596.db2.gz	PSTSOVPNAZHFPV-NRFANRHFSA-N	-1	3	312.372	4.851	50	10		DJCAHM
[O-]c1ccccc1C1=NN(c2ccccc2)[C@H](c2ccccc2)C1	ZINC000013121807	563378302	/nfs/dbraw/zinc/37/83/02/563378302.db2.gz	SGFFIDOKYSINHW-FQEVSTJZSA-N	-1	3	314.388	4.748	50	10		DJCAHM
CC(C)c1cccc(NCc2cc(Br)ccc2[O-])c1	ZINC000044836134	563462384	/nfs/dbraw/zinc/46/23/84/563462384.db2.gz	LMKXLBPNJBWUDI-UHFFFAOYSA-N	-1	3	320.230	4.890	50	10		DJCAHM
[O-]c1ccc(Cl)cc1CNc1ccc(Cl)c(Cl)c1	ZINC000019233081	182110178	/nfs/dbraw/zinc/11/01/78/182110178.db2.gz	ZJSDBKCIWYAQCV-UHFFFAOYSA-N	-1	3	302.588	4.965	50	10		DJCAHM
[O-]c1ccc(Cl)cc1CNc1ccccc1C(F)(F)F	ZINC000021517413	182277582	/nfs/dbraw/zinc/27/75/82/182277582.db2.gz	YWMXZMLVFVZDFR-UHFFFAOYSA-N	-1	3	301.695	4.677	50	10		DJCAHM
[O-]c1ccc(Cl)cc1[C@@H]1CC(c2ccc3ccccc3c2)=NN1	ZINC000028467445	563432340	/nfs/dbraw/zinc/43/23/40/563432340.db2.gz	DJWIYYORYIQCFG-SFHVURJKSA-N	-1	3	322.795	4.638	50	10		DJCAHM
Cc1cc(C)c(NCc2cc(Br)ccc2[O-])c(C)c1	ZINC000000613599	563631813	/nfs/dbraw/zinc/63/18/13/563631813.db2.gz	FRSIPCZZEMORPP-UHFFFAOYSA-N	-1	3	320.230	4.692	50	10		DJCAHM
O=[N+]([O-])c1ccc(/N=N/Cc2c([O-])ccc3ccccc32)cc1	ZINC000004798387	563846700	/nfs/dbraw/zinc/84/67/00/563846700.db2.gz	XAFNWPZJCBSFHM-VHEBQXMUSA-N	-1	3	307.309	4.738	50	10		DJCAHM
[O-]c1ccc(Cl)cc1CNc1ccc(OC(F)(F)F)cc1	ZINC000000039213	563211553	/nfs/dbraw/zinc/21/15/53/563211553.db2.gz	OKVLONMRYYKLMP-UHFFFAOYSA-N	-1	3	317.694	4.556	50	10		DJCAHM
CC(C)c1ccc(NCc2cc(Br)ccc2[O-])cc1	ZINC000002544784	563308477	/nfs/dbraw/zinc/30/84/77/563308477.db2.gz	WLZCSKSUZOUBQZ-UHFFFAOYSA-N	-1	3	320.230	4.890	50	10		DJCAHM
O=C([O-])c1cccc(Nc2c3ccccc3nc3ccccc32)c1	ZINC000019797858	182150592	/nfs/dbraw/zinc/15/05/92/182150592.db2.gz	RJVCIMWGQYPKEF-UHFFFAOYSA-N	-1	3	314.344	4.830	50	10		DJCAHM
O=C([O-])c1ccccc1Nc1c2ccccc2nc2ccccc21	ZINC000019799158	182151937	/nfs/dbraw/zinc/15/19/37/182151937.db2.gz	DYQINKYTPHRKMD-UHFFFAOYSA-N	-1	3	314.344	4.830	50	10		DJCAHM
CCn1c2ccccc2nc1N[C@@H](C)c1cc(Cl)ccc1[O-]	ZINC000000111455	563218686	/nfs/dbraw/zinc/21/86/86/563218686.db2.gz	VMYQUMRRLMDEMS-NSHDSACASA-N	-1	3	315.804	4.588	50	10		DJCAHM
Cc1ccc(C2=N[C@H](CC(C)C)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000004729251	181143880	/nfs/dbraw/zinc/14/38/80/181143880.db2.gz	DCCKZGYMJGWWSB-FPOVZHCZSA-N	-1	3	322.452	4.597	50	10		DJCAHM
CCCC(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000000298119	563237283	/nfs/dbraw/zinc/23/72/83/563237283.db2.gz	QNSRETRZMMMUCH-OAQYLSRUSA-N	-1	3	319.404	4.551	50	10		DJCAHM
[O-]c1c(Cl)cc(Cl)cc1[C@H](c1ccccc1)N1CCCC1	ZINC000032801382	563396019	/nfs/dbraw/zinc/39/60/19/563396019.db2.gz	FSVHXEZIOSQDFI-INIZCTEOSA-N	-1	3	322.235	4.884	50	10		DJCAHM
[O-]c1ccc(Cl)cc1CNc1cccc(C(F)(F)F)c1	ZINC000021501033	182274893	/nfs/dbraw/zinc/27/48/93/182274893.db2.gz	CXINBEUVXLJHMH-UHFFFAOYSA-N	-1	3	301.695	4.677	50	10		DJCAHM
[O-]c1ccccc1C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1	ZINC000013121808	563377874	/nfs/dbraw/zinc/37/78/74/563377874.db2.gz	SGFFIDOKYSINHW-HXUWFJFHSA-N	-1	3	314.388	4.748	50	10		DJCAHM
[O-]c1ccc(Cl)cc1[C@H]1CC(c2ccc3ccccc3c2)=NN1	ZINC000028467449	563432348	/nfs/dbraw/zinc/43/23/48/563432348.db2.gz	DJWIYYORYIQCFG-GOSISDBHSA-N	-1	3	322.795	4.638	50	10		DJCAHM
[O-]c1ccc(Cl)cc1CNc1cc(Cl)ccc1Cl	ZINC000020550426	182230050	/nfs/dbraw/zinc/23/00/50/182230050.db2.gz	UZYLCPVMJYHZLV-UHFFFAOYSA-N	-1	3	302.588	4.965	50	10		DJCAHM
CCN(CC)c1ccc(/C=C/c2ccc3cccc([O-])c3n2)cc1	ZINC000015349129	563409737	/nfs/dbraw/zinc/40/97/37/563409737.db2.gz	VFZLPMXQTLMRFA-XYOKQWHBSA-N	-1	3	318.420	4.957	50	10		DJCAHM
CC(C)(C)c1csc(NCc2c([O-])ccc3ccccc32)n1	ZINC000075252283	563861657	/nfs/dbraw/zinc/86/16/57/563861657.db2.gz	QSYAENAFLKRJHE-UHFFFAOYSA-N	-1	3	312.438	4.912	50	10		DJCAHM