smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1O[C@@H](c2ccccc2)[C@H](C(=O)c2cc(O)ccc2O)[C@H]1[P@](=O)([O-])O	ZINC000071329585	205282365	/nfs/dbraw/zinc/28/23/65/205282365.db2.gz	QHWYHCJFDMCULK-BHYGNILZSA-N	-1	1	379.305	2.019	1	0		GEAFMM
COc1cc([N-]S(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc(OC)c1	ZINC000073141421	205355377	/nfs/dbraw/zinc/35/53/77/205355377.db2.gz	IRWGCOJFCDEVOP-UHFFFAOYSA-N	-1	1	377.422	2.034	1	0		GEAFMM
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc21	ZINC000004958969	204096284	/nfs/dbraw/zinc/09/62/84/204096284.db2.gz	LLCRZWCMLURDBX-UHFFFAOYSA-N	-1	1	394.380	2.098	3	0		GEAFMM
CN(C)S(=O)(=O)c1ccc(-c2cc(-c3ccncc3)cc(C(N)=O)c2[O-])cc1	ZINC000028703846	207346391	/nfs/dbraw/zinc/34/63/91/207346391.db2.gz	LJXXHNWVEAZKJI-UHFFFAOYSA-N	-1	1	397.456	2.470	1	0		GEAFMM
CC(=O)N1CC[C@@H]2c3c(nc(-c4ccc5c(c4)OCCO5)[n-]c3=O)S[C@@H]2C1	ZINC000028524427	207343346	/nfs/dbraw/zinc/34/33/46/207343346.db2.gz	KMFHEPNXBGOZDT-SWLSCSKDSA-N	-1	1	385.445	2.018	1	0		GEAFMM
CC(=O)N(C(C)=O)c1ccc(CNC(=O)c2cnc3nc(C)ccc3c2[O-])cc1	ZINC000028526598	207343563	/nfs/dbraw/zinc/34/35/63/207343563.db2.gz	UINJTCGTOJIYTL-UHFFFAOYSA-N	-1	1	392.415	2.473	1	0		GEAFMM
CC(=O)N(C(C)=O)c1ccc(CNC(=O)c2c[n-]c3nc(C)ccc3c2=O)cc1	ZINC000028526598	207343565	/nfs/dbraw/zinc/34/35/65/207343565.db2.gz	UINJTCGTOJIYTL-UHFFFAOYSA-N	-1	1	392.415	2.473	1	0		GEAFMM
COc1cccc(C[N@@H+]2CCc3c(sc(NC(=O)C(=O)[O-])c3C(=O)[O-])C2)c1	ZINC000013491478	581099474	/nfs/dbraw/zinc/09/94/74/581099474.db2.gz	CEOJCMQCQZMARJ-UHFFFAOYSA-N	-1	1	390.417	2.036	1	0		GEAFMM
COc1cccc(C[N@H+]2CCc3c(sc(NC(=O)C(=O)[O-])c3C(=O)[O-])C2)c1	ZINC000013491478	581099475	/nfs/dbraw/zinc/09/94/75/581099475.db2.gz	CEOJCMQCQZMARJ-UHFFFAOYSA-N	-1	1	390.417	2.036	1	0		GEAFMM
O=c1cc([O-])n(-c2ccccc2)c(=O)n1S(=O)(=O)c1ccc(Cl)cc1	ZINC000102078930	136189930	/nfs/dbraw/zinc/18/99/30/136189930.db2.gz	VTZLZYJYDADLJT-UHFFFAOYSA-N	-1	1	378.793	2.414	1	0		GEAFMM
CCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c(C(=O)[O-])c1OCC[NH3+]	ZINC000014965095	207034221	/nfs/dbraw/zinc/03/42/21/207034221.db2.gz	YLNWNNUWISTBAA-UHFFFAOYSA-N	-1	1	382.413	2.225	1	0	in-vitro	GEAFMM
CC(C)S(=O)(=O)n1c(N)nc2ccc([N-]S(=O)(=O)c3ccccc3)cc21	ZINC000028963402	207352650	/nfs/dbraw/zinc/35/26/50/207352650.db2.gz	GFWARHRYOKQMQO-UHFFFAOYSA-N	-1	1	394.478	2.006	1	0		GEAFMM
COc1ccc([N-]S(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1OC	ZINC000073138968	208032172	/nfs/dbraw/zinc/03/21/72/208032172.db2.gz	LODXTFLTCLLWSK-UHFFFAOYSA-N	-1	1	377.422	2.034	1	0		GEAFMM
COc1ccc(Cc2nn(Cc3n[n-]c(=S)n3C)c(=O)c3c(C)noc32)cc1	ZINC000084586943	208094560	/nfs/dbraw/zinc/09/45/60/208094560.db2.gz	IFYXHUCCIJQGBH-UHFFFAOYSA-N	-1	1	398.448	2.132	1	0		GEAFMM
O=C([O-])c1sc(Br)c(Br)c1OCc1nn[nH]n1	ZINC000028886770	207351361	/nfs/dbraw/zinc/35/13/61/207351361.db2.gz	NLPCWORVKRHQFL-UHFFFAOYSA-N	-1	1	384.009	2.063	1	0		GEAFMM
Cc1cc([O-])c2c(=O)c3c(c([C@H](O)[C@H](O)C(C)(C)O)c-2o1)OC(C)(C)C=C3	ZINC000014511601	207022336	/nfs/dbraw/zinc/02/23/36/207022336.db2.gz	YRDMYIZMXKJVCI-YJBOKZPZSA-N	-1	1	376.405	2.156	1	0		GEAFMM
CC(C)CCC[P@](=O)([O-])O[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026188558	207310087	/nfs/dbraw/zinc/31/00/87/207310087.db2.gz	SVJWNBTYYTWDOM-GJZGRUSLSA-N	-1	1	392.433	2.198	1	0		GEAFMM
COC(=O)C(C(=O)OC)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000095571483	208235054	/nfs/dbraw/zinc/23/50/54/208235054.db2.gz	DZSACHLWFSNVTI-UHFFFAOYSA-N	-1	1	377.418	2.225	3	0		GEAFMM
CCCCNC(=S)N1CCN(c2c(C)c3c([O-])cc(O)cc3oc2=O)CC1	ZINC000096914058	136187821	/nfs/dbraw/zinc/18/78/21/136187821.db2.gz	GPVWPCKCZDCQGR-UHFFFAOYSA-N	-1	1	391.493	2.309	1	0		GEAFMM
O=C1NC(=O)[C@@H](c2cc(Cl)ccc2S(=O)(=O)[N-]c2ccc(F)cc2)N1	ZINC000028224347	207336254	/nfs/dbraw/zinc/33/62/54/207336254.db2.gz	UJUJZEJMWIGCFX-CYBMUJFWSA-N	-1	1	383.788	2.160	1	0		GEAFMM
CN1[C@@H]2CC[C@H]1CN(c1nc3c(cc1F)c(=O)c(C(=O)[O-])cn3C1CC1)CC2	ZINC000013650310	210076291	/nfs/dbraw/zinc/07/62/91/210076291.db2.gz	FJWKRSUVHKMSSF-YPMHNXCESA-N	-1	1	386.427	2.242	1	0		GEAFMM
O=c1[nH]c2cccc([C@@H](N[C@H]3CCc4ccccc43)[P@@](=O)([O-])O)c2[nH]c1=O	ZINC000013440524	210060275	/nfs/dbraw/zinc/06/02/75/210060275.db2.gz	IEOATOPXFRBXIK-UGSOOPFHSA-N	-1	1	387.332	2.494	1	0		GEAFMM
Cn1nc(CC(=O)Nc2ncc(-c3ccccc3)c(=O)[n-]2)c2ccccc2c1=O	ZINC000096930075	211351964	/nfs/dbraw/zinc/35/19/64/211351964.db2.gz	MHCSJAOJQFFKGV-UHFFFAOYSA-N	-1	1	387.399	2.277	1	0		GEAFMM
COc1cc(O)c2c(=O)c(C)c(-c3ccc(OS(=O)(=O)[O-])c(O)c3)oc2c1	ZINC000095914689	291115955	/nfs/dbraw/zinc/11/59/55/291115955.db2.gz	NAGJYYVZDYLMBA-UHFFFAOYSA-N	-1	1	394.357	2.370	1	0	biogenic,in-vitro	GEAFMM
Cc1cc([N-]c2nc(S(C)(=O)=O)cn3c(-c4cn[nH]c4)cnc23)sn1	ZINC000072111216	211069620	/nfs/dbraw/zinc/06/96/20/211069620.db2.gz	KKEKWBHUJBTFPD-UHFFFAOYSA-N	-1	1	375.439	2.031	1	0		GEAFMM
CN(Cc1ccccc1)[C@H](c1cccc2[nH]c(=O)c(=O)[nH]c21)[P@](=O)([O-])O	ZINC000013440501	210061077	/nfs/dbraw/zinc/06/10/77/210061077.db2.gz	QJEFKTCXLNVCHX-KRWDZBQOSA-N	-1	1	375.321	2.349	1	0		GEAFMM
O=c1[nH]c2cccc([C@H](NCCc3ccccc3)[P@](=O)([O-])O)c2[nH]c1=O	ZINC000013440507	210060866	/nfs/dbraw/zinc/06/08/66/210060866.db2.gz	HQJLJWGABWOSHH-QGZVFWFLSA-N	-1	1	375.321	2.050	1	0		GEAFMM
O=c1[nH]c2cccc([C@H](NCCc3ccccc3)[P@@](=O)([O-])O)c2[nH]c1=O	ZINC000013440507	210060869	/nfs/dbraw/zinc/06/08/69/210060869.db2.gz	HQJLJWGABWOSHH-QGZVFWFLSA-N	-1	1	375.321	2.050	1	0		GEAFMM
O=c1[nH]c2cccc([C@@H](NCCc3ccccc3)[P@](=O)([O-])O)c2[nH]c1=O	ZINC000013440509	210060471	/nfs/dbraw/zinc/06/04/71/210060471.db2.gz	HQJLJWGABWOSHH-KRWDZBQOSA-N	-1	1	375.321	2.050	1	0		GEAFMM
O=c1[nH]c2cccc([C@@H](NCCc3ccccc3)[P@@](=O)([O-])O)c2[nH]c1=O	ZINC000013440509	210060476	/nfs/dbraw/zinc/06/04/76/210060476.db2.gz	HQJLJWGABWOSHH-KRWDZBQOSA-N	-1	1	375.321	2.050	1	0		GEAFMM
O=c1[nH]c2cccc([C@H](N[C@H]3CCc4ccccc43)[P@@](=O)([O-])O)c2[nH]c1=O	ZINC000013440522	221267747	/nfs/dbraw/zinc/26/77/47/221267747.db2.gz	IEOATOPXFRBXIK-SCLBCKFNSA-N	-1	1	387.332	2.494	1	0		GEAFMM
CC(C)Oc1c(Br)c(Br)[nH]c1C(=O)Nc1nn[n-]n1	ZINC000001482759	212247792	/nfs/dbraw/zinc/24/77/92/212247792.db2.gz	YAVXFWIRHLXDJD-UHFFFAOYSA-N	-1	1	394.027	2.092	1	0		GEAFMM
CC1=CC(=O)N(N=c2nc(C(F)(F)F)[n-]c3ccc([S@](C)=O)cc32)C1=O	ZINC000013587562	221275342	/nfs/dbraw/zinc/27/53/42/221275342.db2.gz	FGFHRFLTVFDCAK-AREMUKBSSA-N	-1	1	384.339	2.028	1	0		GEAFMM
O=C(c1ccccc1)N1CCN(C(=O)c2cc(=O)c3c([O-])cccc3o2)CC1	ZINC000013558841	221272973	/nfs/dbraw/zinc/27/29/73/221272973.db2.gz	YLSRWMBUMSYJJS-UHFFFAOYSA-N	-1	1	378.384	2.097	1	0		GEAFMM
COc1ccc([C@@H]2ON(C)[C@H]([P@](=O)([O-])O)[C@H]2C(=O)c2ccccc2O)cc1	ZINC000071318209	222180817	/nfs/dbraw/zinc/18/08/17/222180817.db2.gz	KXWJWGVSFONQTA-RYQLBKOJSA-N	-1	1	393.332	2.322	1	0		GEAFMM
O=C1c2c(c3n(c(=O)c2[O-])CCCC3)C(=O)N1Cc1ccc(F)c(Cl)c1	ZINC000071319071	222181060	/nfs/dbraw/zinc/18/10/60/222181060.db2.gz	OEZAPPGGKZESBO-UHFFFAOYSA-N	-1	1	376.771	2.479	1	0		GEAFMM
CC(C)NCc1cn(-c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)nn1	ZINC000098085459	222454309	/nfs/dbraw/zinc/45/43/09/222454309.db2.gz	ADRPOWWYLCCGML-UHFFFAOYSA-N	-1	1	385.399	2.252	1	0		GEAFMM
C[C@@]1(CCc2cccc(O)c2)Oc2cc3oc(CO)cc([O-])c-3c(=O)c2C[C@H]1O	ZINC000085593593	291116734	/nfs/dbraw/zinc/11/67/34/291116734.db2.gz	GGHAEUOIFSGRPC-KNQAVFIVSA-N	-1	1	398.411	2.384	1	0	biogenic,in-vitro	GEAFMM
C[C@@]1(CCc2cccc(O)c2)Oc2cc3oc(CO)cc(=O)c3c([O-])c2C[C@H]1O	ZINC000085593593	291116736	/nfs/dbraw/zinc/11/67/36/291116736.db2.gz	GGHAEUOIFSGRPC-KNQAVFIVSA-N	-1	1	398.411	2.384	1	0	biogenic,in-vitro	GEAFMM
[NH3+][C@H](Cc1nc2cc(Cl)c(Cl)cc2cc1C[P@](=O)([O-])O)C(=O)[O-]	ZINC000001542746	212248863	/nfs/dbraw/zinc/24/88/63/212248863.db2.gz	CMBVOEJJBZRBNH-SNVBAGLBSA-N	-1	1	379.136	2.174	1	0		GEAFMM
Cc1cc([O-])c2c(=O)c3c(c([C@@H](O)[C@@H](O)C(C)(C)O)c-2o1)OC(C)(C)C=C3	ZINC000014511593	221311253	/nfs/dbraw/zinc/31/12/53/221311253.db2.gz	YRDMYIZMXKJVCI-CRAIPNDOSA-N	-1	1	376.405	2.156	1	0		GEAFMM
O=c1c2c(O)cc([O-])c(I)c2ncn1-c1ccc(O)cc1	ZINC000013685401	221281200	/nfs/dbraw/zinc/28/12/00/221281200.db2.gz	CTRQGFMTOJOIDH-UHFFFAOYSA-N	-1	1	396.140	2.107	1	0		GEAFMM