smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C[C@@H]1COCCN1C(=O)CCn1ccc(=O)[nH]c1=O	ZINC000072431511	191163031	/nfs/dbraw/zinc/16/30/31/191163031.db2.gz	MJUJRZFHZIZBEU-SECBINFHSA-N	-1	0	311.294	-1.371	50	0		DAAARM
CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@@H]1O	ZINC000004096360	181072332	/nfs/dbraw/zinc/07/23/32/181072332.db2.gz	WJFVEEAIYIOATH-JAJWTYFOSA-N	-1	0	301.273	-3.251	50	0	in-vivo	DAAARM
CSC[C@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000004556980	181124715	/nfs/dbraw/zinc/12/47/15/181124715.db2.gz	QTQDDTSVRVWHMO-RQJHMYQMSA-N	-1	0	321.355	-1.773	50	0		DAAARM
NC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)[O-]	ZINC000004899455	181170184	/nfs/dbraw/zinc/17/01/84/181170184.db2.gz	HYMUIMPABXIACR-WDSKDSINSA-N	-1	0	300.271	-3.174	50	0		DAAARM
CC(=O)N[C@@H]1[C@H](O)C[C@](O)(C(=O)[O-])O[C@H]1[C@H](O)[C@H](O)CO	ZINC000005227885	181218942	/nfs/dbraw/zinc/21/89/42/181218942.db2.gz	SQVRNKJHWKZAKO-WNBQUBFESA-N	-1	0	309.271	-3.872	50	0		DAAARM
NC(=O)C[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC000064219408	373307453	/nfs/dbraw/zinc/30/74/53/373307453.db2.gz	KIGKSERBFCBQJG-SECBINFHSA-N	-1	0	319.273	-1.273	50	0		DAAARM
COc1nc(N(C)C)nc(N2CC(=O)N(CC(=O)[O-])C2=N)n1	ZINC000001897055	373326966	/nfs/dbraw/zinc/32/69/66/373326966.db2.gz	AUBRZRMKKRSZCE-UHFFFAOYSA-N	-1	0	309.286	-1.386	50	0		DAAARM
O=C([O-])CNC(=O)CNC(=O)Cn1ncc2ccccc2c1=O	ZINC000049543579	373280527	/nfs/dbraw/zinc/28/05/27/373280527.db2.gz	KUUKSKOQHSLQLJ-UHFFFAOYSA-N	-1	0	318.289	-1.287	50	0	biogenic	DAAARM
O=C([O-])[C@@H]1O[C@H](Oc2ccccc2[N+](=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000002504648	373283947	/nfs/dbraw/zinc/28/39/47/373283947.db2.gz	UADVJQJTJSOJOQ-GPTQDWHKSA-N	-1	0	315.234	-1.134	50	0		DAAARM
C[C@H]1C(=O)N(CC(=O)[O-])CCN1C(=O)CNC(=O)N(C)C	ZINC000426492755	373370793	/nfs/dbraw/zinc/37/07/93/373370793.db2.gz	GWGHEJYSVYCMRD-QMMMGPOBSA-N	-1	0	300.315	-1.599	50	0		DAAARM
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000221693084	257239167	/nfs/dbraw/zinc/23/91/67/257239167.db2.gz	XWBXXXCPPBASPN-RKDXNWHRSA-N	-1	0	306.340	-1.278	50	0		DAAARM
CC(C)[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000013507523	280294092	/nfs/dbraw/zinc/29/40/92/280294092.db2.gz	HJXBLWNEFLKSSL-XVKPBYJWSA-N	-1	0	303.315	-1.480	50	0		DAAARM
Nc1ccn([C@@H]2O[C@@H]3CO[P@@](=O)([O-])O[C@@H]3[C@@H]2O)c(=O)n1	ZINC000031539272	303502057	/nfs/dbraw/zinc/50/20/57/303502057.db2.gz	WCPTXJJVVDAEMW-YDKYIBAVSA-N	-1	0	305.183	-1.400	50	0		DAAARM
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000043701073	545648565	/nfs/dbraw/zinc/64/85/65/545648565.db2.gz	XWBXXXCPPBASPN-BDAKNGLRSA-N	-1	0	306.340	-1.278	50	0		DAAARM
O=c1ccn([C@@H]2O[C@H](CO)[C@@H]3O[P@](=O)([O-])O[C@H]23)c(=O)[nH]1	ZINC000096035217	372844674	/nfs/dbraw/zinc/84/46/74/372844674.db2.gz	HWDMHJDYMFRXOX-YDKYIBAVSA-N	-1	0	306.167	-1.689	50	0		DAAARM
O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1cc(=O)[nH]c(=O)[nH]1	ZINC000220566788	373077873	/nfs/dbraw/zinc/07/78/73/373077873.db2.gz	QJVCWZRRWBJIAI-SFYZADRCSA-N	-1	0	313.266	-1.948	50	0		DAAARM
NC(=O)[C@@H]1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000053894914	373316334	/nfs/dbraw/zinc/31/63/34/373316334.db2.gz	ICODGDFEFSZSAP-ZCFIWIBFSA-N	-1	0	303.278	-1.029	50	0		DAAARM
O=S(=O)([O-])CCN1CCC[N@H+](CCS(=O)(=O)[O-])CC1	ZINC000019594730	182133077	/nfs/dbraw/zinc/13/30/77/182133077.db2.gz	QZTMPPUJIVQNKS-UHFFFAOYSA-N	-1	0	316.401	-1.230	50	0	in-vitro	DAAARM
O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1ccnn1CCO	ZINC000222585115	257274378	/nfs/dbraw/zinc/27/43/78/257274378.db2.gz	WFTUYXBGKSWIJO-MWLCHTKSSA-N	-1	0	313.310	-1.136	50	0		DAAARM
CCN(CC)S(=O)(=O)CC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000262435112	257237461	/nfs/dbraw/zinc/23/74/61/257237461.db2.gz	FKAXBNQENPJLQM-VIFPVBQESA-N	-1	0	308.356	-1.030	50	0		DAAARM
O=C([O-])[C@H]1COCCN1C(=O)Cn1nc2ccccn2c1=O	ZINC000268967727	257237882	/nfs/dbraw/zinc/23/78/82/257237882.db2.gz	DUAMBDDOPOQXBU-SECBINFHSA-N	-1	0	306.278	-1.192	50	0		DAAARM
CC(=O)N[C@@H]1[C@H](O)C[C@](O)(C(=O)[O-])O[C@@H]1[C@H](O)[C@@H](O)CO	ZINC000015206146	278151553	/nfs/dbraw/zinc/15/15/53/278151553.db2.gz	SQVRNKJHWKZAKO-HHMWSCPNSA-N	-1	0	309.271	-3.872	50	0	biogenic,in-vitro	DAAARM
CCC(NCC(=O)NCC(=O)[O-])=C(C#N)C(=O)NC(=O)NC	ZINC000075261123	545658665	/nfs/dbraw/zinc/65/86/65/545658665.db2.gz	UJSSOUWTRISXRQ-BQYQJAHWSA-N	-1	0	311.298	-1.580	50	0		DAAARM
CCC(NCC(=O)NCC(=O)[O-])=C(C#N)C(=O)NC(=O)NC	ZINC000210998792	545889463	/nfs/dbraw/zinc/88/94/63/545889463.db2.gz	UJSSOUWTRISXRQ-FPLPWBNLSA-N	-1	0	311.298	-1.580	50	0		DAAARM
CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)NCc1nnn[n-]1	ZINC000072128142	678855464	/nfs/dbraw/zinc/85/54/64/678855464.db2.gz	FHCOGYMIJNTWRJ-JTQLQIEISA-N	-1	0	307.358	-1.027	50	0		DAAARM
CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)NCc1nnn[n-]1	ZINC000072128143	678855509	/nfs/dbraw/zinc/85/55/09/678855509.db2.gz	FHCOGYMIJNTWRJ-SNVBAGLBSA-N	-1	0	307.358	-1.027	50	0		DAAARM
CC(=O)N[C@@H]1[C@H](O)C[C@](O)(C(=O)[O-])O[C@@H]1[C@@H](O)[C@H](O)CO	ZINC000071789800	290679774	/nfs/dbraw/zinc/67/97/74/290679774.db2.gz	SQVRNKJHWKZAKO-ZQVBOCOSSA-N	-1	0	309.271	-3.872	50	0	biogenic	DAAARM
Cn1c(=O)cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])n(C)c1=O	ZINC000072146783	191053002	/nfs/dbraw/zinc/05/30/02/191053002.db2.gz	CQPSKTCVVHGGQP-MRVPVSSYSA-N	-1	0	311.294	-1.600	50	0		DAAARM
C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-]	ZINC000003656277	181044023	/nfs/dbraw/zinc/04/40/23/181044023.db2.gz	VMSRTLYZOWBBFW-YFKPBYRVSA-N	-1	0	313.291	-1.032	50	0		DAAARM
NC(=O)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)NCC(=O)[O-]	ZINC000005273621	181225179	/nfs/dbraw/zinc/22/51/79/181225179.db2.gz	HYMUIMPABXIACR-PHDIDXHHSA-N	-1	0	300.271	-3.174	50	0		DAAARM
CO[C@]1(C(=O)[O-])C[C@H](O)[C@H](NC(C)=O)[C@H]([C@@H](O)[C@@H](O)CO)O1	ZINC000011525617	372776820	/nfs/dbraw/zinc/77/68/20/372776820.db2.gz	NJRVVFURCKKXOD-VHLIYBROSA-N	-1	0	323.298	-3.218	50	0		DAAARM
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC000013543979	372779801	/nfs/dbraw/zinc/77/98/01/372779801.db2.gz	WJFVEEAIYIOATH-PVFLNQBWSA-N	-1	0	301.273	-3.251	50	0	in-vitro	DAAARM
CN1CCN2CCN(C(=O)Cc3cc(=O)[nH][n-]c3=O)C[C@H]2C1=O	ZINC000067604262	372823791	/nfs/dbraw/zinc/82/37/91/372823791.db2.gz	ZUHJHUROWDCCML-JTQLQIEISA-N	-1	0	321.337	-1.997	50	0		DAAARM
O=C(NCCCN1CCCC1=O)C(=O)Nc1c[nH]c(=O)[nH]c1=O	ZINC000012389828	373089264	/nfs/dbraw/zinc/08/92/64/373089264.db2.gz	ZYIKGZKAUWLTAY-UHFFFAOYSA-N	-1	0	323.309	-1.870	50	0		DAAARM
Cc1nn(C)cc1CNC(=O)C(=O)Nc1c[nH]c(=O)[nH]c1=O	ZINC000012390158	373090560	/nfs/dbraw/zinc/09/05/60/373090560.db2.gz	GCIKOOXJQABZEU-UHFFFAOYSA-N	-1	0	306.282	-1.640	50	0		DAAARM
CS(=O)(=O)N1CCN(CC(=O)NC2CC2)C[C@H](C(=O)[O-])C1	ZINC000097569046	373271242	/nfs/dbraw/zinc/27/12/42/373271242.db2.gz	PONNQDANJCNRHY-VIFPVBQESA-N	-1	0	319.383	-1.457	50	0		DAAARM
O=C([O-])CNC(=O)CNC(=O)Cn1nc2c(cc1=O)CCCC2	ZINC000049544670	373280693	/nfs/dbraw/zinc/28/06/93/373280693.db2.gz	YXNMQTMGTDQXGX-UHFFFAOYSA-N	-1	0	322.321	-1.561	50	0		DAAARM
O=c1[n-]c(=O)c(S[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)n[nH]1	ZINC000012652408	373659850	/nfs/dbraw/zinc/65/98/50/373659850.db2.gz	IWWWLASAPGWFMZ-OVNPILHNSA-N	-1	0	307.284	-3.650	50	0	biogenic	DAAARM
Cn1c2nc(SCC(=O)[O-])n(CC(N)=O)c2c(=O)[nH]c1=O	ZINC000002922855	373688659	/nfs/dbraw/zinc/68/86/59/373688659.db2.gz	MENRDNCQIOMCES-UHFFFAOYSA-N	-1	0	313.295	-1.915	50	0		DAAARM
NC(=O)c1ccc(N2CCN(C(=O)CO)C[C@H](C(=O)[O-])C2)nc1	ZINC000097675507	193745456	/nfs/dbraw/zinc/74/54/56/193745456.db2.gz	XXEIDBDIULSFQR-SNVBAGLBSA-N	-1	0	322.321	-1.478	50	0		DAAARM
COCCCN1CCN(CC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000077323435	292353892	/nfs/dbraw/zinc/35/38/92/292353892.db2.gz	KXTDZXANQZUQNC-WDEREUQCSA-N	-1	0	306.384	-1.109	50	0		DAAARM
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC000013543977	278151259	/nfs/dbraw/zinc/15/12/59/278151259.db2.gz	WJFVEEAIYIOATH-CBQIKETKSA-N	-1	0	301.273	-3.251	50	0		DAAARM
CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCOC[C@@H]2C(=O)[O-])C1	ZINC000088374334	295518271	/nfs/dbraw/zinc/51/82/71/295518271.db2.gz	SIVZTMBEEXXVJF-NXEZZACHSA-N	-1	0	320.367	-1.030	50	0		DAAARM
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCOC[C@@H]2C(=O)[O-])C1	ZINC000088374332	295520536	/nfs/dbraw/zinc/52/05/36/295520536.db2.gz	SIVZTMBEEXXVJF-VHSXEESVSA-N	-1	0	320.367	-1.030	50	0		DAAARM
NC(=O)C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-]	ZINC000009575441	303259815	/nfs/dbraw/zinc/25/98/15/303259815.db2.gz	CSUXLPUXNKALMB-JTQLQIEISA-N	-1	0	318.289	-1.090	50	0		DAAARM
O=C(CN1CCN(c2ncccn2)CC1)NCc1n[nH]c(=O)[n-]1	ZINC000670452572	545832795	/nfs/dbraw/zinc/83/27/95/545832795.db2.gz	CSDUSGYTLNLBIU-UHFFFAOYSA-N	-1	0	318.341	-1.261	50	0		DAAARM
Cn1c2nc(-[n+]3cccc(C(=O)[O-])c3)[n-]c2c(=O)n(C)c1=O	ZINC000001498451	664489244	/nfs/dbraw/zinc/48/92/44/664489244.db2.gz	OSWGOGXTNXGMAA-UHFFFAOYSA-O	-1	0	302.270	-1.065	50	0		DAAARM
Cn1c(=O)cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])n(C)c1=O	ZINC000072146782	191053009	/nfs/dbraw/zinc/05/30/09/191053009.db2.gz	CQPSKTCVVHGGQP-QMMMGPOBSA-N	-1	0	311.294	-1.600	50	0		DAAARM
CCN1C[C@@]2(C(=O)[O-])CN(C(=O)Cn3cncn3)C[C@H]2C1=O	ZINC000072412043	191155823	/nfs/dbraw/zinc/15/58/23/191155823.db2.gz	LAESEEIDCQEWFU-TVQRCGJNSA-N	-1	0	307.310	-1.330	50	0		DAAARM
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)[O-])C[C@@H]1O	ZINC000003793840	181046207	/nfs/dbraw/zinc/04/62/07/181046207.db2.gz	SQVRNKJHWKZAKO-PFQGKNLYSA-N	-1	0	309.271	-3.872	50	0	endogenous,in-man	DAAARM
CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O	ZINC000004096329	181072650	/nfs/dbraw/zinc/07/26/50/181072650.db2.gz	WJFVEEAIYIOATH-FMDGEEDCSA-N	-1	0	301.273	-3.251	50	0	endogenous,in-man	DAAARM
Nc1ccn([C@@H]2O[C@H](CO)[C@H]3O[P@](=O)([O-])O[C@H]32)c(=O)n1	ZINC000004095844	181072957	/nfs/dbraw/zinc/07/29/57/181072957.db2.gz	NMPZCCZXCOMSDQ-XVFCMESISA-N	-1	0	305.183	-1.400	50	0	endogenous,in-man	DAAARM
Cn1c(SCc2nnn[n-]2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000004396149	181106624	/nfs/dbraw/zinc/10/66/24/181106624.db2.gz	ZCWKNFRDBQAPJO-UHFFFAOYSA-N	-1	0	308.327	-1.224	50	0		DAAARM
C1CN(c2nc(-c3nnn[n-]3)nc(N3CCOCC3)n2)CCO1	ZINC000000054542	372833985	/nfs/dbraw/zinc/83/39/85/372833985.db2.gz	JMOWLYRXMHWJFI-UHFFFAOYSA-N	-1	0	319.329	-1.275	50	0		DAAARM
CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)Cc1cc(=O)[nH][n-]c1=O	ZINC000219931663	373075339	/nfs/dbraw/zinc/07/53/39/373075339.db2.gz	UHILXNDXFMMKNO-GHORINQJSA-N	-1	0	322.321	-1.986	50	0		DAAARM
Nc1ccn([C@@H]2O[C@H](CO)[C@@H]3O[P@@](=O)([O-])O[C@@H]23)c(=O)n1	ZINC000017046973	182070516	/nfs/dbraw/zinc/07/05/16/182070516.db2.gz	NMPZCCZXCOMSDQ-PXBUCIJWSA-N	-1	0	305.183	-1.400	50	0	biogenic,in-vitro	DAAARM
Nc1nnnn1CC(=O)N[C@@H]1CCOC[C@H]1OCC(=O)[O-]	ZINC000220357205	373076462	/nfs/dbraw/zinc/07/64/62/373076462.db2.gz	SWEZGVJEHGGUSD-RNFRBKRXSA-N	-1	0	300.275	-2.370	50	0		DAAARM
Cn1c2nc(N3CCOCC3)n(CC(=O)[O-])c2c(=O)[nH]c1=O	ZINC000012443271	373125709	/nfs/dbraw/zinc/12/57/09/373125709.db2.gz	ZADKIUBSIBRKPS-UHFFFAOYSA-N	-1	0	309.282	-1.656	50	0		DAAARM
CN(C)c1nc(N(C)C)nc(N2CC(=O)N(CC(=O)[O-])C2=N)n1	ZINC000001832361	373321197	/nfs/dbraw/zinc/32/11/97/373321197.db2.gz	MVHLBUYHRXDONG-UHFFFAOYSA-N	-1	0	322.329	-1.328	50	0		DAAARM
CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCOC[C@H]2C(=O)[O-])C1	ZINC000250957190	373429884	/nfs/dbraw/zinc/42/98/84/373429884.db2.gz	SIVZTMBEEXXVJF-ZJUUUORDSA-N	-1	0	320.367	-1.030	50	0		DAAARM
O=C([O-])CNC(=O)CNC(=O)CN1Cc2ccccc2C1=O	ZINC000020762085	182246806	/nfs/dbraw/zinc/24/68/06/182246806.db2.gz	TVDGNRPJIXOMHW-UHFFFAOYSA-N	-1	0	305.290	-1.041	50	0	biogenic	DAAARM
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000043701074	256534711	/nfs/dbraw/zinc/53/47/11/256534711.db2.gz	XWBXXXCPPBASPN-IUCAKERBSA-N	-1	0	306.340	-1.278	50	0		DAAARM
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000221693134	257239383	/nfs/dbraw/zinc/23/93/83/257239383.db2.gz	XWBXXXCPPBASPN-DTWKUNHWSA-N	-1	0	306.340	-1.278	50	0		DAAARM
Nc1ccn([C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@H]3[C@@H]2O)c(=O)n1	ZINC000033496127	303502245	/nfs/dbraw/zinc/50/22/45/303502245.db2.gz	WCPTXJJVVDAEMW-PXBUCIJWSA-N	-1	0	305.183	-1.400	50	0		DAAARM
CO[C@]1(C(=O)[O-])C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@@H](O)CO)O1	ZINC000076935790	563507405	/nfs/dbraw/zinc/50/74/05/563507405.db2.gz	NJRVVFURCKKXOD-XPRCPLEKSA-N	-1	0	323.298	-3.218	50	0		DAAARM
CN1CCN(C(=O)[C@H]2CN(c3nc(C(=O)[O-])co3)CCN2)CC1	ZINC000072173000	678855967	/nfs/dbraw/zinc/85/59/67/678855967.db2.gz	FRKQVJNXWWEAJA-SNVBAGLBSA-N	-1	0	323.353	-1.075	50	0		DAAARM
Cc1cc(=O)n2nc(CC(=O)N3CC[C@H](O)[C@@H](O)C3)[n-]c2n1	ZINC000072145632	191050872	/nfs/dbraw/zinc/05/08/72/191050872.db2.gz	DNQOWHWCVRQUOV-IUCAKERBSA-N	-1	0	307.310	-1.365	50	0		DAAARM
Cc1n[n-]c(NCCN2CCN(S(C)(=O)=O)CC2)nc1=O	ZINC000072260044	191088541	/nfs/dbraw/zinc/08/85/41/191088541.db2.gz	BOXXVNZVDZQFQC-UHFFFAOYSA-N	-1	0	316.387	-1.538	50	0		DAAARM
C[C@]1(Cn2ccnn2)[C@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O	ZINC000003787060	181045863	/nfs/dbraw/zinc/04/58/63/181045863.db2.gz	LPQZKKCYTLCDGQ-WEDXCCLWSA-N	-1	0	300.296	-1.523	50	0	biogenic,fda	DAAARM
C[C@@]1(Cn2ccnn2)[C@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O	ZINC000003781867	181045973	/nfs/dbraw/zinc/04/59/73/181045973.db2.gz	LPQZKKCYTLCDGQ-KHQFGBGNSA-N	-1	0	300.296	-1.523	50	0	biogenic	DAAARM
C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC[P@@](C)(=O)[O-])C(=O)[O-]	ZINC000001530428	299223182	/nfs/dbraw/zinc/22/31/82/299223182.db2.gz	GINJFDRNADDBIN-FXQIFTODSA-N	-1	0	323.286	-1.302	50	0	biogenic,in-vitro	DAAARM
Cn1c2nc(N3CCOCC3)n(CC(=O)[O-])c2c(=O)n(C)c1=O	ZINC000011693955	181700078	/nfs/dbraw/zinc/70/00/78/181700078.db2.gz	KVJQXZJWVLCHDR-UHFFFAOYSA-N	-1	0	323.309	-1.645	50	0		DAAARM
CSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000001532230	372761778	/nfs/dbraw/zinc/76/17/78/372761778.db2.gz	QTQDDTSVRVWHMO-BQBZGAKWSA-N	-1	0	321.355	-1.773	50	0	biogenic,in-man	DAAARM
NC(=O)c1ccc(N2CCN(C(=O)CO)C[C@@H](C(=O)[O-])C2)nc1	ZINC000097675508	372771971	/nfs/dbraw/zinc/77/19/71/372771971.db2.gz	XXEIDBDIULSFQR-JTQLQIEISA-N	-1	0	322.321	-1.478	50	0		DAAARM
O=C([O-])[C@H]1CN(C(=O)Cn2nc3ccccn3c2=O)CCO1	ZINC000261970341	373090447	/nfs/dbraw/zinc/09/04/47/373090447.db2.gz	QAKZENHYEPAMTP-SECBINFHSA-N	-1	0	306.278	-1.192	50	0		DAAARM
O=C([O-])[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)CCO1	ZINC000261970345	373090603	/nfs/dbraw/zinc/09/06/03/373090603.db2.gz	QAKZENHYEPAMTP-VIFPVBQESA-N	-1	0	306.278	-1.192	50	0		DAAARM
Cn1c(=O)[nH]c(=O)c2nc(CCC(=O)NCC(=O)[O-])c(=O)[nH]c21	ZINC000242263400	373130442	/nfs/dbraw/zinc/13/04/42/373130442.db2.gz	XYVVAYWZEVRMNK-UHFFFAOYSA-N	-1	0	323.265	-1.732	50	0		DAAARM
CO[C@]1(C(=O)[O-])C[C@H](O)[C@H](NC(C)=O)[C@H]([C@@H](O)[C@H](O)CO)O1	ZINC000247941808	373140162	/nfs/dbraw/zinc/14/01/62/373140162.db2.gz	NJRVVFURCKKXOD-GIRLXDRWSA-N	-1	0	323.298	-3.218	50	0		DAAARM
O=c1ccn([C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@H]3[C@H]2O)c(=O)[nH]1	ZINC000013551795	373316970	/nfs/dbraw/zinc/31/69/70/373316970.db2.gz	NXIHNBWNDCFCGL-XVFCMESISA-N	-1	0	306.167	-1.689	50	0	in-vitro	DAAARM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000019737440	182140770	/nfs/dbraw/zinc/14/07/70/182140770.db2.gz	BMXZSVPOMAQWKQ-UHFFFAOYSA-N	-1	0	317.323	-1.143	50	0		DAAARM
O=C([O-])CNc1nc(N2CCOCC2)nc(NCC(=O)[O-])[nH+]1	ZINC000002316003	373631364	/nfs/dbraw/zinc/63/13/64/373631364.db2.gz	ORNNLKQXCUZNBW-UHFFFAOYSA-N	-1	0	312.286	-1.299	50	0		DAAARM
O=C([O-])CCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC000032917474	182679723	/nfs/dbraw/zinc/67/97/23/182679723.db2.gz	IRFHBOCCXMENGZ-UHFFFAOYSA-N	-1	0	313.291	-1.031	50	0		DAAARM
C[C@@H]1C(=O)N(CC(=O)[O-])CCN1C(=O)CNC(=O)N(C)C	ZINC000426492754	296256976	/nfs/dbraw/zinc/25/69/76/296256976.db2.gz	GWGHEJYSVYCMRD-MRVPVSSYSA-N	-1	0	300.315	-1.599	50	0		DAAARM
O=C(Cn1[n-]c(=O)ccc1=O)N1CCN(c2ncccn2)CC1	ZINC000040457407	183068973	/nfs/dbraw/zinc/06/89/73/183068973.db2.gz	PDOLXGJGYQXVEF-UHFFFAOYSA-N	-1	0	316.321	-1.325	50	0		DAAARM
CC(C)N1CCNC(=O)[C@H]1CC(=O)NCCCc1nnn[n-]1	ZINC000065509194	184357545	/nfs/dbraw/zinc/35/75/45/184357545.db2.gz	DOLFMUAKCCRROO-SNVBAGLBSA-N	-1	0	309.374	-1.153	50	0		DAAARM
CC(=O)N[C@@H]1[C@H](O)C[C@](O)(C(=O)[O-])O[C@H]1[C@H](O)[C@@H](O)CO	ZINC000015206149	278151490	/nfs/dbraw/zinc/15/14/90/278151490.db2.gz	SQVRNKJHWKZAKO-CJJMRCJNSA-N	-1	0	309.271	-3.872	50	0		DAAARM
CC(=O)N[C@@H]1[C@H](O)C[C@](O)(C(=O)[O-])O[C@H]1[C@@H](O)[C@@H](O)CO	ZINC000012359995	278151520	/nfs/dbraw/zinc/15/15/20/278151520.db2.gz	SQVRNKJHWKZAKO-JFENDCDASA-N	-1	0	309.271	-3.872	50	0		DAAARM
Cc1cc(C(=O)NCC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000263073311	301131070	/nfs/dbraw/zinc/13/10/70/301131070.db2.gz	KAMVDNFZEXDJRR-UHFFFAOYSA-N	-1	0	306.278	-1.245	50	0		DAAARM
CN1CCN(C(=O)[C@@H]2CN(c3nc(C(=O)[O-])co3)CCN2)CC1	ZINC000072172999	678856251	/nfs/dbraw/zinc/85/62/51/678856251.db2.gz	FRKQVJNXWWEAJA-JTQLQIEISA-N	-1	0	323.353	-1.075	50	0		DAAARM
CC(=O)O[C@H](C(=O)[O-])[C@H](OC(C)=O)C(=O)N1CCOCC1	ZINC000002296674	180918581	/nfs/dbraw/zinc/91/85/81/180918581.db2.gz	YEAUHQCKPANKDM-UWVGGRQHSA-N	-1	0	303.267	-1.207	50	0		DAAARM
C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-]	ZINC000003656278	181044277	/nfs/dbraw/zinc/04/42/77/181044277.db2.gz	VMSRTLYZOWBBFW-RXMQYKEDSA-N	-1	0	313.291	-1.032	50	0		DAAARM
C[C@]1(Cn2ccnn2)[C@H](C(=O)[O-])N2C(=O)C[C@@H]2S1(=O)=O	ZINC000003831502	181048056	/nfs/dbraw/zinc/04/80/56/181048056.db2.gz	LPQZKKCYTLCDGQ-NRPADANISA-N	-1	0	300.296	-1.523	50	0	in-man	DAAARM
CC(=O)N[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](O)CC(=O)C(=O)[O-]	ZINC000004214715	181085377	/nfs/dbraw/zinc/08/53/77/181085377.db2.gz	KBGAYAKRZNYFFG-BOHATCBPSA-N	-1	0	309.271	-4.029	50	0	investigational	DAAARM
NC(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(=O)[nH]c1=O	ZINC000004270318	181089865	/nfs/dbraw/zinc/08/98/65/181089865.db2.gz	MJUWGBFVKSSLIX-UHFFFAOYSA-N	-1	0	310.291	-1.037	50	0		DAAARM
CSC[C@@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000004556981	181124847	/nfs/dbraw/zinc/12/48/47/181124847.db2.gz	QTQDDTSVRVWHMO-RNFRBKRXSA-N	-1	0	321.355	-1.773	50	0	biogenic,in-vitro	DAAARM
NC(=O)C[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)NCC(=O)[O-]	ZINC000005273619	181224974	/nfs/dbraw/zinc/22/49/74/181224974.db2.gz	HYMUIMPABXIACR-RITPCOANSA-N	-1	0	300.271	-3.174	50	0		DAAARM
O=c1ccn([C@@H]2O[C@H](CO)[C@@H]3O[P@@](=O)([O-])O[C@@H]23)c(=O)[nH]1	ZINC000016545996	541326183	/nfs/dbraw/zinc/32/61/83/541326183.db2.gz	HWDMHJDYMFRXOX-PXBUCIJWSA-N	-1	0	306.167	-1.689	50	0		DAAARM
CN1CCN2CCN(C(=O)Cc3cc(=O)[nH][n-]c3=O)C[C@@H]2C1=O	ZINC000067604261	372824847	/nfs/dbraw/zinc/82/48/47/372824847.db2.gz	ZUHJHUROWDCCML-SNVBAGLBSA-N	-1	0	321.337	-1.997	50	0		DAAARM
Nc1ncc(CN2CCN(C(=O)CCC(=O)[O-])C[C@@H](O)C2)cn1	ZINC000097402529	372846009	/nfs/dbraw/zinc/84/60/09/372846009.db2.gz	MLYRGSVMSLSGKI-NSHDSACASA-N	-1	0	323.353	-1.071	50	0		DAAARM
Cc1nc(N2CCN(C)CC2)ncc1C(=O)NCc1nnn[n-]1	ZINC000097425076	372846452	/nfs/dbraw/zinc/84/64/52/372846452.db2.gz	FZEUWMOENYUROK-UHFFFAOYSA-N	-1	0	317.357	-1.020	50	0		DAAARM
Nc1ncc(CN2CCN(C(=O)CCC(=O)[O-])C[C@H](O)C2)cn1	ZINC000097402528	372846883	/nfs/dbraw/zinc/84/68/83/372846883.db2.gz	MLYRGSVMSLSGKI-LLVKDONJSA-N	-1	0	323.353	-1.071	50	0		DAAARM
Nc1ccn([C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@@H]3[C@H]2O)c(=O)n1	ZINC000110928324	373028409	/nfs/dbraw/zinc/02/84/09/373028409.db2.gz	WCPTXJJVVDAEMW-CCXZUQQUSA-N	-1	0	305.183	-1.400	50	0		DAAARM
O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)CCCn1cnnn1	ZINC000219323281	373074215	/nfs/dbraw/zinc/07/42/15/373074215.db2.gz	UPWXIMBYWDBYPN-NXEZZACHSA-N	-1	0	313.314	-1.172	50	0		DAAARM
O=c1ccn([C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@@H]3[C@H]2O)c(=O)[nH]1	ZINC000255991160	373149838	/nfs/dbraw/zinc/14/98/38/373149838.db2.gz	NXIHNBWNDCFCGL-CCXZUQQUSA-N	-1	0	306.167	-1.277	50	0		DAAARM
NC(=O)[C@H]1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000053894913	373318069	/nfs/dbraw/zinc/31/80/69/373318069.db2.gz	ICODGDFEFSZSAP-LURJTMIESA-N	-1	0	303.278	-1.029	50	0		DAAARM
Nc1ccn([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)n1	ZINC000001532524	373441647	/nfs/dbraw/zinc/44/16/47/373441647.db2.gz	IERHLVCPSMICTF-PSQAKQOGSA-N	-1	0	323.198	-2.446	50	0	in-vitro	DAAARM
CC(=O)N[C@@H]1[C@H](O)C[C@](O)(C(=O)[O-])O[C@H]1[C@@H](O)[C@H](O)CO	ZINC000071789801	373616393	/nfs/dbraw/zinc/61/63/93/373616393.db2.gz	SQVRNKJHWKZAKO-XYLHZXCYSA-N	-1	0	309.271	-3.872	50	0		DAAARM
CN(CC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC000002928577	373688538	/nfs/dbraw/zinc/68/85/38/373688538.db2.gz	XODOZZFTNKLDDB-UHFFFAOYSA-N	-1	0	313.291	-1.079	50	0		DAAARM
CC(C)N1CCNC(=O)[C@@H]1CC(=O)NCCCc1nnn[n-]1	ZINC000065509193	184357536	/nfs/dbraw/zinc/35/75/36/184357536.db2.gz	DOLFMUAKCCRROO-JTQLQIEISA-N	-1	0	309.374	-1.153	50	0		DAAARM
COCCC(=O)N1CCN(S(C)(=O)=O)C[C@H](C(=O)[O-])C1	ZINC000097475071	292272835	/nfs/dbraw/zinc/27/28/35/292272835.db2.gz	RTBJNOYEKIWTPQ-SECBINFHSA-N	-1	0	308.356	-1.173	50	0		DAAARM
COCCC(=O)N1CCN(S(C)(=O)=O)C[C@@H](C(=O)[O-])C1	ZINC000097475072	292272912	/nfs/dbraw/zinc/27/29/12/292272912.db2.gz	RTBJNOYEKIWTPQ-VIFPVBQESA-N	-1	0	308.356	-1.173	50	0		DAAARM
CC(=O)N[C@@H]1[C@H](O)C[C@](O)(C(=O)[O-])O[C@@H]1[C@H](O)[C@H](O)CO	ZINC000003870085	278151585	/nfs/dbraw/zinc/15/15/85/278151585.db2.gz	SQVRNKJHWKZAKO-VVSDMCKJSA-N	-1	0	309.271	-3.872	50	0	biogenic,in-vitro	DAAARM
CC(=O)O[C@@H](C(=O)[O-])[C@H](OC(C)=O)C(=O)N1CCOCC1	ZINC000002296676	278220234	/nfs/dbraw/zinc/22/02/34/278220234.db2.gz	YEAUHQCKPANKDM-VHSXEESVSA-N	-1	0	303.267	-1.207	50	0		DAAARM
CC1=NN(CC(=O)[O-])c2nc3c(c(=O)n(C)c(=O)n3C)n2C1	ZINC000009421107	278510490	/nfs/dbraw/zinc/51/04/90/278510490.db2.gz	ALLINFRTSGCCQQ-UHFFFAOYSA-N	-1	0	306.282	-1.286	50	0		DAAARM
CC(=O)N1CCO[C@@H](CNS(=O)(=O)c2cn(C)cn2)C1	ZINC000534578164	334288476	/nfs/dbraw/zinc/28/84/76/334288476.db2.gz	NKGWMFBMBGTQLQ-JTQLQIEISA-N	-1	0	302.356	-1.054	50	0		DAAARM
NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1	ZINC000002272786	180917976	/nfs/dbraw/zinc/91/79/76/180917976.db2.gz	AHVCJFOXYVYOOE-UHFFFAOYSA-N	-1	0	315.307	-1.137	50	0		DAAARM
Nc1nc(N)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000004097589	181072427	/nfs/dbraw/zinc/07/24/27/181072427.db2.gz	KGNGTSCIQCLKEH-SYCVNHKBSA-N	-1	0	304.259	-3.887	50	0	biogenic,in-vitro	DAAARM
NC(=O)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)[O-]	ZINC000005273620	181225195	/nfs/dbraw/zinc/22/51/95/181225195.db2.gz	HYMUIMPABXIACR-NTSWFWBYSA-N	-1	0	300.271	-3.174	50	0		DAAARM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000002928134	372764047	/nfs/dbraw/zinc/76/40/47/372764047.db2.gz	ZQYUZXRSDJNQGJ-ZETCQYMHSA-N	-1	0	317.323	-1.143	50	0		DAAARM
O=C([O-])[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000036532678	372793146	/nfs/dbraw/zinc/79/31/46/372793146.db2.gz	QSUILVWOWLUOEU-WSOSLHDDSA-N	-1	0	315.234	-1.134	50	0		DAAARM
Cn1cnc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])c1	ZINC000222952580	373084510	/nfs/dbraw/zinc/08/45/10/373084510.db2.gz	QZTZBDHPNZOCHB-RKDXNWHRSA-N	-1	0	319.339	-1.043	50	0		DAAARM
CCN(CC)S(=O)(=O)CC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000262938259	373133931	/nfs/dbraw/zinc/13/39/31/373133931.db2.gz	HGSBMVDISNMCLF-SECBINFHSA-N	-1	0	308.356	-1.030	50	0		DAAARM
CCN(CC)S(=O)(=O)CC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000262938261	373134050	/nfs/dbraw/zinc/13/40/50/373134050.db2.gz	HGSBMVDISNMCLF-VIFPVBQESA-N	-1	0	308.356	-1.030	50	0		DAAARM
Cn1c(=O)c2ccc(C(=O)[N-]S(C)(=O)=O)nc2n(C)c1=O	ZINC000040544108	183099276	/nfs/dbraw/zinc/09/92/76/183099276.db2.gz	QUNZNKJNAKATKY-UHFFFAOYSA-N	-1	0	312.307	-1.678	50	0		DAAARM
O=C([O-])c1cc2n(n1)CCN(S(=O)(=O)N1CCOCC1)C2	ZINC000065533110	184361755	/nfs/dbraw/zinc/36/17/55/184361755.db2.gz	RWRRGERBQJTMLY-UHFFFAOYSA-N	-1	0	316.339	-1.026	50	0		DAAARM
O=C([O-])[C@@H]1COCCN1C(=O)Cn1nc2ccccn2c1=O	ZINC000268967728	257238067	/nfs/dbraw/zinc/23/80/67/257238067.db2.gz	DUAMBDDOPOQXBU-VIFPVBQESA-N	-1	0	306.278	-1.192	50	0		DAAARM
NC(=O)C[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC000002556646	303259605	/nfs/dbraw/zinc/25/96/05/303259605.db2.gz	KIGKSERBFCBQJG-VIFPVBQESA-N	-1	0	319.273	-1.273	50	0		DAAARM
Nc1ccn([C@@H]2O[C@H](CO)[C@@H]3O[P@](=O)([O-])O[C@H]23)c(=O)n1	ZINC000012958997	303502242	/nfs/dbraw/zinc/50/22/42/303502242.db2.gz	NMPZCCZXCOMSDQ-YDKYIBAVSA-N	-1	0	305.183	-1.400	50	0	biogenic,in-vitro	DAAARM
CC(=O)N1CCO[C@H](CNS(=O)(=O)c2cn(C)cn2)C1	ZINC000534578165	334288464	/nfs/dbraw/zinc/28/84/64/334288464.db2.gz	NKGWMFBMBGTQLQ-SNVBAGLBSA-N	-1	0	302.356	-1.054	50	0		DAAARM
CO[C@]1(C(=O)[O-])C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1	ZINC000076935784	563507298	/nfs/dbraw/zinc/50/72/98/563507298.db2.gz	NJRVVFURCKKXOD-LWBDVOHXSA-N	-1	0	323.298	-3.218	50	0		DAAARM
O=C([O-])C[C@H]1COCCN1C(=O)CCn1ccc(=O)[nH]c1=O	ZINC000072431510	191162537	/nfs/dbraw/zinc/16/25/37/191162537.db2.gz	MJUJRZFHZIZBEU-VIFPVBQESA-N	-1	0	311.294	-1.371	50	0		DAAARM
CC(=O)O[C@@H](C(=O)N1CCOCC1)[C@H](OC(C)=O)C(=O)[O-]	ZINC000002296675	180918516	/nfs/dbraw/zinc/91/85/16/180918516.db2.gz	YEAUHQCKPANKDM-ZJUUUORDSA-N	-1	0	303.267	-1.207	50	0		DAAARM
CSC[C@@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000004556979	181124595	/nfs/dbraw/zinc/12/45/95/181124595.db2.gz	QTQDDTSVRVWHMO-NKWVEPMBSA-N	-1	0	321.355	-1.773	50	0		DAAARM
CC(=O)N1C[C@H]2CN(c3cncc(C(N)=O)n3)C[C@@]2(C(=O)[O-])C1	ZINC000096136997	193549221	/nfs/dbraw/zinc/54/92/21/193549221.db2.gz	DFWCLTHWAMKCQD-XPTSAGLGSA-N	-1	0	319.321	-1.055	50	0		DAAARM
O=C([O-])[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000002151308	372761148	/nfs/dbraw/zinc/76/11/48/372761148.db2.gz	QSUILVWOWLUOEU-GPTQDWHKSA-N	-1	0	315.234	-1.134	50	0		DAAARM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000002928133	372764420	/nfs/dbraw/zinc/76/44/20/372764420.db2.gz	ZQYUZXRSDJNQGJ-SSDOTTSWSA-N	-1	0	317.323	-1.143	50	0		DAAARM
Nc1ccn([C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@H]3[C@H]2O)c(=O)n1	ZINC000004095499	372766270	/nfs/dbraw/zinc/76/62/70/372766270.db2.gz	WCPTXJJVVDAEMW-XVFCMESISA-N	-1	0	305.183	-1.400	50	0	in-vitro,metabolite	DAAARM
CC(=O)N[C@@H]1[C@H](O)C[C@](O)(C(=O)[O-])O[C@@H]1[C@@H](O)[C@@H](O)CO	ZINC000015206143	181991954	/nfs/dbraw/zinc/99/19/54/181991954.db2.gz	SQVRNKJHWKZAKO-FALICOJDSA-N	-1	0	309.271	-3.872	50	0	biogenic	DAAARM
O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1c[nH]c(=O)[nH]c1=O	ZINC000219080384	373073774	/nfs/dbraw/zinc/07/37/74/373073774.db2.gz	ZRPJCRIADBSHKL-SFYZADRCSA-N	-1	0	313.266	-1.948	50	0		DAAARM
Cn1nc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])ccc1=O	ZINC000222323076	373085722	/nfs/dbraw/zinc/08/57/22/373085722.db2.gz	HZSDUEIQHMCXKJ-PSASIEDQSA-N	-1	0	311.294	-1.231	50	0		DAAARM
CS(=O)(=O)N1CCN(CC(=O)NC2CC2)C[C@@H](C(=O)[O-])C1	ZINC000217207293	373274574	/nfs/dbraw/zinc/27/45/74/373274574.db2.gz	PONNQDANJCNRHY-SECBINFHSA-N	-1	0	319.383	-1.457	50	0		DAAARM
CC(=O)O[C@@H](C(=O)[O-])[C@@H](OC(C)=O)C(=O)N1CCOCC1	ZINC000002296677	373630135	/nfs/dbraw/zinc/63/01/35/373630135.db2.gz	YEAUHQCKPANKDM-NXEZZACHSA-N	-1	0	303.267	-1.207	50	0		DAAARM
O=c1ccn([C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@H]3[C@@H]2O)c(=O)[nH]1	ZINC000033496130	373616056	/nfs/dbraw/zinc/61/60/56/373616056.db2.gz	NXIHNBWNDCFCGL-PXBUCIJWSA-N	-1	0	306.167	-1.689	50	0		DAAARM
Cn1c(=O)[nH]c2ccc(S(=O)(=O)NCC(=O)[O-])cc2c1=O	ZINC000040546444	183099837	/nfs/dbraw/zinc/09/98/37/183099837.db2.gz	SDMDBBALRIQPII-UHFFFAOYSA-N	-1	0	313.291	-1.410	50	0		DAAARM
CCN(CC)S(=O)(=O)CC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000262435109	257238042	/nfs/dbraw/zinc/23/80/42/257238042.db2.gz	FKAXBNQENPJLQM-SECBINFHSA-N	-1	0	308.356	-1.030	50	0		DAAARM
COc1cc(CNC(=O)c2n[nH]c(=O)[n-]2)ccc1OCC(N)=O	ZINC000071819875	184851770	/nfs/dbraw/zinc/85/17/70/184851770.db2.gz	YJWJKFVZHDKVCI-UHFFFAOYSA-N	-1	0	321.293	-1.099	50	0		DAAARM
CN(C)C(=O)N1C[C@@H]2CN(S(C)(=O)=O)C[C@]2(C(=O)[O-])C1	ZINC000091679299	288982056	/nfs/dbraw/zinc/98/20/56/288982056.db2.gz	IMGDSOYCRKMYRY-LDYMZIIASA-N	-1	0	305.356	-1.054	50	0		DAAARM
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCOC[C@H]2C(=O)[O-])C1	ZINC000250957185	295520550	/nfs/dbraw/zinc/52/05/50/295520550.db2.gz	SIVZTMBEEXXVJF-UWVGGRQHSA-N	-1	0	320.367	-1.030	50	0		DAAARM
[NH3+]CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000003776571	303366281	/nfs/dbraw/zinc/36/62/81/303366281.db2.gz	JJGBXTYGTKWGAT-YUMQZZPRSA-N	-1	0	301.299	-1.630	50	0	investigational	DAAARM
O=c1ccn([C@@H]2O[C@@H]3CO[P@@](=O)([O-])O[C@@H]3[C@@H]2O)c(=O)[nH]1	ZINC000169434810	304818950	/nfs/dbraw/zinc/81/89/50/304818950.db2.gz	NXIHNBWNDCFCGL-YDKYIBAVSA-N	-1	0	306.167	-1.689	50	0		DAAARM