smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(c2cc3c(cc2F)n2c(cc(=O)n([O-])c2=O)n3C2CC2)CC1	ZINC000013650480	132869504	/nfs/dbraw/zinc/86/95/04/132869504.db2.gz	LQIOLFAOWGBWPX-UHFFFAOYSA-N	0	1	373.388	0.879	1	0		FCAFMN
COc1cc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)ccc1-n1cnnn1	ZINC000059938742	205284221	/nfs/dbraw/zinc/28/42/21/205284221.db2.gz	DFIBKCJIADHORF-GFCCVEGCSA-N	0	1	364.431	0.140	3	0		FCAFMN
C/C=C1\C(=O)O[C@@H]2CC[N@@H+]3CC[C@@H](COC(=O)[C@](C)(O)[C@@H](C)[C@@H]1O)[C@H]23	ZINC000195514979	206332028	/nfs/dbraw/zinc/33/20/28/206332028.db2.gz	FAFYHPIEFKLDSP-DWILPVADSA-N	0	1	353.415	0.244	1	0		FCAFMN
CN(C)S(=O)(=O)N1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1	ZINC000040861510	205083277	/nfs/dbraw/zinc/08/32/77/205083277.db2.gz	YKVNCVKRDCRGHE-UHFFFAOYSA-N	0	1	351.432	0.648	1	0		FCAFMN
CN1CCN(CCOc2ccc3oc(N4CCOCC4)nc(=O)c3c2)CC1	ZINC000064454520	136133228	/nfs/dbraw/zinc/13/32/28/136133228.db2.gz	DLVAQVBIPCWQHM-UHFFFAOYSA-N	0	1	374.441	0.651	1	0		FCAFMN
COC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccccc3)[C@H]2SC1	ZINC000033755640	208098021	/nfs/dbraw/zinc/09/80/21/208098021.db2.gz	RASPLVISAYEZCJ-UEKVPHQBSA-N	0	1	363.395	0.029	1	0		FCAFMN
OC[C@H]1O[C@@H](n2cc(Br)c3c2nc[nH]c3=S)[C@H](O)[C@@H]1O	ZINC000033503629	208094816	/nfs/dbraw/zinc/09/48/16/208094816.db2.gz	JPAXVONCMNIIEJ-IOSLPCCCSA-N	0	1	362.205	0.094	1	0		FCAFMN
CC(=O)N[C@@H]1[C@H](N[C@H](C)CCc2ccc(O)cc2)C=C(C(=O)[O-])C[C@@H]1[NH3+]	ZINC000096902504	209160753	/nfs/dbraw/zinc/16/07/53/209160753.db2.gz	ZSJOXKCADXABSR-KJGCIYADSA-N	0	1	361.442	0.918	1	0		FCAFMN
CCC(=O)[C@]12N[C@H]3C[C@]4(c5ccccc5N(OC)C4=O)[C@H](OC[C@H]31)[C@@H]2O	ZINC000040975655	208278313	/nfs/dbraw/zinc/27/83/13/208278313.db2.gz	KCKQVEIIPULRFW-SAAOQMMJSA-N	0	1	358.394	0.302	1	0		FCAFMN
O=C(NCCc1cnc[nH]1)c1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1	ZINC000091931519	209005592	/nfs/dbraw/zinc/00/55/92/209005592.db2.gz	VPKHEPCTIWZKSD-AWEZNQCLSA-N	0	1	364.427	0.449	1	0		FCAFMN
O=C1CCC2(C(=O)NC(=O)NC2=O)N1c1ccc(Br)cc1	ZINC000003819189	581099526	/nfs/dbraw/zinc/09/95/26/581099526.db2.gz	QBHJWCOJUICREF-UHFFFAOYSA-N	0	1	352.144	0.681	1	0		FCAFMN
N[C@H](CO)C(=O)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1	ZINC000040394791	136119870	/nfs/dbraw/zinc/11/98/70/136119870.db2.gz	NRZLSBWIFONJBN-CYBMUJFWSA-N	0	1	357.389	0.595	1	0		FCAFMN
Cc1nc(CCNC(=O)C[C@H]2C(=O)NCCN2CC(C)C)nc2c1CCC2	ZINC000014981437	211110631	/nfs/dbraw/zinc/11/06/31/211110631.db2.gz	VQADZGCGHUFZNL-KRWDZBQOSA-N	0	1	373.501	0.779	3	0		FCAFMN
CC1=CC(=O)OC1[C@@]1(C)C[C@H]2OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@]23[C@H]41	ZINC000038895426	560081785	/nfs/dbraw/zinc/08/17/85/560081785.db2.gz	QFFKFFIFIWKYEB-HVOPIMCPSA-N	0	1	364.394	0.532	1	0	biogenic,in-vitro	FCAFMN
CS(=O)(=O)N1CCc2nc[nH]c2C12CC[NH+](C1CCOCC1)CC2	ZINC000091350593	663368346	/nfs/dbraw/zinc/36/83/46/663368346.db2.gz	HYPOFLOXLFVHAA-UHFFFAOYSA-N	0	1	354.476	0.698	1	0		FCAFMN
CC(=O)N[C@H]1[C@H](N[C@@H](C)CCc2ccc(O)cc2)C=C(C(=O)[O-])C[C@@H]1[NH3+]	ZINC000013493062	211036519	/nfs/dbraw/zinc/03/65/19/211036519.db2.gz	ZSJOXKCADXABSR-ZUHTVMMCSA-N	0	1	361.442	0.918	1	0		FCAFMN
CC(=O)N[C@H]1[C@H](N[C@H](C)CCc2ccc(O)cc2)C=C(C(=O)[O-])C[C@@H]1[NH3+]	ZINC000013493063	211036173	/nfs/dbraw/zinc/03/61/73/211036173.db2.gz	ZSJOXKCADXABSR-JZDMUPLMSA-N	0	1	361.442	0.918	1	0		FCAFMN
COc1ncccc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2ccno2)C1	ZINC000096110968	222030180	/nfs/dbraw/zinc/03/01/80/222030180.db2.gz	DAMDJNJPBQLBJU-KDOFPFPSSA-N	0	1	358.398	0.957	1	0		FCAFMN
O=C(NCCc1cnc[nH]1)c1ccc(S(=O)(=O)N[C@@H]2CCOC2)cc1	ZINC000091931518	674528813	/nfs/dbraw/zinc/52/88/13/674528813.db2.gz	VPKHEPCTIWZKSD-CQSZACIVSA-N	0	1	364.427	0.449	1	0		FCAFMN
COCCN1CCC[C@](O)(CN2CCN(Cc3ccncc3)CC2)C1=O	ZINC000067787446	221285836	/nfs/dbraw/zinc/28/58/36/221285836.db2.gz	PBCMPIXCYZJPEH-IBGZPJMESA-N	0	1	362.474	0.199	1	0		FCAFMN
CC1=CC(=O)OC1[C@@]1(C)C[C@H]2OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@]23[C@H]41	ZINC000034553623	560087221	/nfs/dbraw/zinc/08/72/21/560087221.db2.gz	QFFKFFIFIWKYEB-MWVFVGDUSA-N	0	1	364.394	0.532	1	0	biogenic,in-vitro	FCAFMN
CC(=O)N[C@@H]1[C@H](N[C@@H](C)CCc2ccc(O)cc2)C=C(C(=O)[O-])C[C@@H]1[NH3+]	ZINC000096902503	222136547	/nfs/dbraw/zinc/13/65/47/222136547.db2.gz	ZSJOXKCADXABSR-ZBXQAEIJSA-N	0	1	361.442	0.918	1	0		FCAFMN
Nc1cc(N2CCN3C[C@H](CO)CC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585777	132868812	/nfs/dbraw/zinc/86/88/12/132868812.db2.gz	NQHNXCOAFMEGDZ-OLZOCXBDSA-N	0	1	369.429	0.859	1	0		FCAFMN
CS(=O)(=O)CCNCc1cc2cc(S(N)(=O)=O)sc2s1	ZINC000013822152	220097392	/nfs/dbraw/zinc/09/73/92/220097392.db2.gz	PLQIUTFHUYBGHG-UHFFFAOYSA-N	0	1	354.500	0.744	1	0		FCAFMN
Cc1cc([O-])c(-c2csc(NC(=O)CN3CC[NH+](C)CC3)n2)c(=O)o1	ZINC000098084005	222226220	/nfs/dbraw/zinc/22/62/20/222226220.db2.gz	FDKDEIBBXVTHSF-UHFFFAOYSA-N	0	1	364.427	0.963	1	0		FCAFMN
COC(=O)CCCNC(=O)C[C@H]1C(=O)NCCN1CC1CCCCC1	ZINC000012754199	220024988	/nfs/dbraw/zinc/02/49/88/220024988.db2.gz	DZEDEQVMDAIYEP-HNNXBMFYSA-N	0	1	353.463	0.827	1	0		FCAFMN