smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2[nH]c3c(c2c1)CCC/C3=[NH+]\[C@@H](C)c1ccccc1	ZINC000000978656	563273888	/nfs/dbraw/zinc/27/38/88/563273888.db2.gz	RJSFOOKMRMBWIY-OOHXQLJPSA-N	1	1	302.421	5.363	50	30		DKEAMO
Cc1ccc2[nH]c3c(c2c1)CCC/C3=[NH+]\[C@H](C)c1ccccc1	ZINC000000978658	563273814	/nfs/dbraw/zinc/27/38/14/563273814.db2.gz	RJSFOOKMRMBWIY-MESBPSPMSA-N	1	1	302.421	5.363	50	30		DKEAMO
C=CC[N@@H+](C)CC/C=C1\c2ccccc2CSc2ccccc21	ZINC000001009357	563841316	/nfs/dbraw/zinc/84/13/16/563841316.db2.gz	MPGPLWGAOFVVRH-XDHOZWIPSA-N	1	1	321.489	5.232	50	30		DKEAMO
C=CC[N@@H+](C)CC/C=C1/c2ccccc2CSc2ccccc21	ZINC000001009358	340392044	/nfs/dbraw/zinc/39/20/44/340392044.db2.gz	MPGPLWGAOFVVRH-UNOMPAQXSA-N	1	1	321.489	5.232	50	30		DKEAMO
C=CCOc1ccccc1C[N@@H+](CCCC)Cc1ccccc1	ZINC000002893916	568416475	/nfs/dbraw/zinc/41/64/75/568416475.db2.gz	CMFWFWMWZVCPAC-UHFFFAOYSA-N	1	1	309.453	5.054	50	30		DKEAMO
COc1ccc(C(Nc2ccc(C)cc2)=[NH+]c2ccccc2)cc1	ZINC000003122912	180982996	/nfs/dbraw/zinc/98/29/96/180982996.db2.gz	CMFNRVSLIIXSGQ-UHFFFAOYSA-N	1	1	316.404	5.194	50	30		DKEAMO
Fc1ccc(N/C=[NH+]/c2ccc(F)c(Cl)c2)cc1Cl	ZINC000004724796	181142878	/nfs/dbraw/zinc/14/28/78/181142878.db2.gz	GTIOGHNKYUFMBM-UHFFFAOYSA-N	1	1	301.123	5.044	50	30		DKEAMO
C=C(C)C[N@H+](CC)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	ZINC000004988719	181185812	/nfs/dbraw/zinc/18/58/12/181185812.db2.gz	YAWSFELLMYTDHZ-UHFFFAOYSA-N	1	1	317.517	5.385	50	30		DKEAMO
Cc1cccc([NH+]=C(Nc2ccccc2Cl)c2ccccc2)c1	ZINC000006256579	181323453	/nfs/dbraw/zinc/32/34/53/181323453.db2.gz	AOBWGCMQAZJKJU-UHFFFAOYSA-N	1	1	320.823	5.839	50	30		DKEAMO
c1ccc2c(c1)NC(=[NH+]C1CCCCC1)C1(CCCCCC1)N2	ZINC000046153030	183555136	/nfs/dbraw/zinc/55/51/36/183555136.db2.gz	QSFYRPCPOHLAJI-UHFFFAOYSA-N	1	1	311.473	5.348	50	30	biogenic	DKEAMO
CCCCCCCCCCCCCCCCCc1[nH]cc[nH+]1	ZINC000060146044	563479691	/nfs/dbraw/zinc/47/96/91/563479691.db2.gz	YTWBFUCJVWKCCK-UHFFFAOYSA-N	1	1	306.538	6.824	50	30		DKEAMO
N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)c1	ZINC000064637325	563891523	/nfs/dbraw/zinc/89/15/23/563891523.db2.gz	ANFMKZXDVNVDSM-JOCHJYFZSA-N	1	1	312.416	5.049	50	30		DKEAMO
N#Cc1cccc(C[N@H+]2CCC[C@H]2c2cccc3ccccc32)c1	ZINC000084598327	563828109	/nfs/dbraw/zinc/82/81/09/563828109.db2.gz	ANFMKZXDVNVDSM-QFIPXVFZSA-N	1	1	312.416	5.049	50	30		DKEAMO
CCCCCCCCSCCCCCC[N@H+]1CCSC1	ZINC000095870602	563931932	/nfs/dbraw/zinc/93/19/32/563931932.db2.gz	LJRQSEGJHGZXHY-UHFFFAOYSA-N	1	1	317.608	5.647	50	30		DKEAMO
CCCCCCCCSCCCCCC[N@@H+]1CCSC1	ZINC000095870602	563931931	/nfs/dbraw/zinc/93/19/31/563931931.db2.gz	LJRQSEGJHGZXHY-UHFFFAOYSA-N	1	1	317.608	5.647	50	30		DKEAMO
CCCCCCCCCCCCCCCCOC(=O)[C@H](C)[NH3+]	ZINC000111874495	257215073	/nfs/dbraw/zinc/21/50/73/257215073.db2.gz	UCCMBYBOOAOUMZ-SFHVURJKSA-N	1	1	313.526	5.358	50	30		DKEAMO
CC(=O)c1cccc([NH+]=C(C)C=C2Sc3ccccc3N2C)c1	ZINC000334156944	337383782	/nfs/dbraw/zinc/38/37/82/337383782.db2.gz	BPRZFHWVAJJMQH-GZMCSXHNSA-N	1	1	322.433	5.065	50	30		DKEAMO
CC(=O)c1cccc([NH+]=C(C)C=C2Sc3ccccc3N2C)c1	ZINC000334156945	337383754	/nfs/dbraw/zinc/38/37/54/337383754.db2.gz	BPRZFHWVAJJMQH-MLCNWZFMSA-N	1	1	322.433	5.065	50	30		DKEAMO