smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)CC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000266823426	265332571	/nfs/dbraw/zinc/33/25/71/265332571.db2.gz	GCXOQSJOBAFGHR-UHFFFAOYSA-N	-1	3	330.322	-1.135	20	5		EABDHM
NC(=O)CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000280709723	375199214	/nfs/dbraw/zinc/19/92/14/375199214.db2.gz	GBZJHQTWCDTYGZ-UHFFFAOYSA-N	-1	3	330.322	-1.135	20	5		EABDHM
C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O	ZINC000281358761	415313958	/nfs/dbraw/zinc/31/39/58/415313958.db2.gz	WAIQWJOODXAUJY-SSDOTTSWSA-N	-1	3	330.322	-1.137	20	5		EABDHM
C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O	ZINC000281358776	265227753	/nfs/dbraw/zinc/22/77/53/265227753.db2.gz	WAIQWJOODXAUJY-ZETCQYMHSA-N	-1	3	330.322	-1.137	20	5		EABDHM
CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000284660950	415311810	/nfs/dbraw/zinc/31/18/10/415311810.db2.gz	DYPLJTZIXCJMDD-UHFFFAOYSA-N	-1	3	330.322	-1.265	20	5		EABDHM
CNS(=O)(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000285090014	415313018	/nfs/dbraw/zinc/31/30/18/415313018.db2.gz	GMKGEJDZKLQTAO-UHFFFAOYSA-N	-1	3	338.367	-1.073	20	5		EABDHM
COC[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000291961338	265253827	/nfs/dbraw/zinc/25/38/27/265253827.db2.gz	FUBQWYJJEBHLLT-VIFPVBQESA-N	-1	3	347.349	-1.003	20	5		EABDHM
O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCNC(=O)C1	ZINC000294372333	374684925	/nfs/dbraw/zinc/68/49/25/374684925.db2.gz	NJFLOPIESCWCIL-UHFFFAOYSA-N	-1	3	342.333	-1.169	20	5		EABDHM
CN(C[C@H](O)CO)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000294922113	415084371	/nfs/dbraw/zinc/08/43/71/415084371.db2.gz	JXDLXPXISUSFTH-VIFPVBQESA-N	-1	3	347.349	-1.315	20	5		EABDHM
COc1c(F)cc(S(=O)(=O)[N-][C@H](CO)C(N)=O)cc1[N+](=O)[O-]	ZINC000352626686	265217769	/nfs/dbraw/zinc/21/77/69/265217769.db2.gz	PJLRVUPTLSEUGO-SSDOTTSWSA-N	-1	3	337.285	-1.133	20	5		EABDHM
COc1c(F)cc(S(=O)(=O)[N-][C@@H](CO)C(N)=O)cc1[N+](=O)[O-]	ZINC000352626687	375221871	/nfs/dbraw/zinc/22/18/71/375221871.db2.gz	PJLRVUPTLSEUGO-ZETCQYMHSA-N	-1	3	337.285	-1.133	20	5		EABDHM
O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000354137386	265059703	/nfs/dbraw/zinc/05/97/03/265059703.db2.gz	KSPHIFKAXDHUPU-SECBINFHSA-N	-1	3	337.296	-1.263	20	5		EABDHM
O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000354137387	265253166	/nfs/dbraw/zinc/25/31/66/265253166.db2.gz	KSPHIFKAXDHUPU-VIFPVBQESA-N	-1	3	337.296	-1.263	20	5		EABDHM
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000358881187	265248018	/nfs/dbraw/zinc/24/80/18/265248018.db2.gz	AAXPQKGNQXNRTI-MRVPVSSYSA-N	-1	3	333.322	-1.011	20	5		EABDHM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000358881188	414828598	/nfs/dbraw/zinc/82/85/98/414828598.db2.gz	AAXPQKGNQXNRTI-QMMMGPOBSA-N	-1	3	333.322	-1.011	20	5		EABDHM
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	ZINC000358892883	265175440	/nfs/dbraw/zinc/17/54/40/265175440.db2.gz	SNGFIZDXXCFSOD-MRVPVSSYSA-N	-1	3	333.322	-1.011	20	5		EABDHM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	ZINC000358892884	414827598	/nfs/dbraw/zinc/82/75/98/414827598.db2.gz	SNGFIZDXXCFSOD-QMMMGPOBSA-N	-1	3	333.322	-1.011	20	5		EABDHM
CNC(=O)CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000438769283	264746063	/nfs/dbraw/zinc/74/60/63/264746063.db2.gz	WQJPABOIAJEDRA-UHFFFAOYSA-N	-1	3	330.322	-1.265	20	5		EABDHM
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	ZINC000440083988	415088396	/nfs/dbraw/zinc/08/83/96/415088396.db2.gz	ZMAFWGVVCRYDRK-MRVPVSSYSA-N	-1	3	333.322	-1.011	20	5		EABDHM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	ZINC000440083989	374752845	/nfs/dbraw/zinc/75/28/45/374752845.db2.gz	ZMAFWGVVCRYDRK-QMMMGPOBSA-N	-1	3	333.322	-1.011	20	5		EABDHM
CCn1cc(S(=O)(=O)[N-]CC(=O)N2CCNCC2)c([N+](=O)[O-])n1	ZINC000564958091	374418421	/nfs/dbraw/zinc/41/84/21/374418421.db2.gz	NFDADTFDYMOJSH-UHFFFAOYSA-N	-1	3	346.369	-1.479	20	5		EABDHM
CNc1nccc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1[N+](=O)[O-]	ZINC000579975400	415392108	/nfs/dbraw/zinc/39/21/08/415392108.db2.gz	RIIMAEPEFPWKSI-MRVPVSSYSA-N	-1	3	334.292	-0.592	20	5		EABDHM
CNc1nccc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1[N+](=O)[O-]	ZINC000579975401	415390479	/nfs/dbraw/zinc/39/04/79/415390479.db2.gz	RIIMAEPEFPWKSI-QMMMGPOBSA-N	-1	3	334.292	-0.592	20	5		EABDHM
O=C(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])N1CCNCC1	ZINC000592365870	374450674	/nfs/dbraw/zinc/45/06/74/374450674.db2.gz	CPCWJTHCTQQMIJ-UHFFFAOYSA-N	-1	3	329.338	-1.300	20	5		EABDHM
COC(=O)CNC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593526014	374459407	/nfs/dbraw/zinc/45/94/07/374459407.db2.gz	AZYBKKMBTQZUPB-UHFFFAOYSA-N	-1	3	332.294	-1.443	20	5		EABDHM
O=C1CNC(=O)N1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593543979	374460235	/nfs/dbraw/zinc/46/02/35/374460235.db2.gz	JRRITDKTUIOCBD-UHFFFAOYSA-N	-1	3	329.294	-1.180	20	5		EABDHM
O=C1CN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCN1	ZINC000593576123	374461572	/nfs/dbraw/zinc/46/15/72/374461572.db2.gz	OTDDXTKSCYFNSP-UHFFFAOYSA-N	-1	3	329.338	-1.300	20	5		EABDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)Cn2ccnn2)nc1	ZINC000593604711	374461515	/nfs/dbraw/zinc/46/15/15/374461515.db2.gz	BFZFGCAKKSZLHK-SECBINFHSA-N	-1	3	328.310	-1.079	20	5		EABDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)Cn2ccnn2)nc1	ZINC000593604714	374462027	/nfs/dbraw/zinc/46/20/27/374462027.db2.gz	BFZFGCAKKSZLHK-VIFPVBQESA-N	-1	3	328.310	-1.079	20	5		EABDHM
O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)N1CCNCC1	ZINC000595106875	374472961	/nfs/dbraw/zinc/47/29/61/374472961.db2.gz	YWTYOYLGLPPBTM-UHFFFAOYSA-N	-1	3	329.338	-1.300	20	5		EABDHM
O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1(O)CNC1	ZINC000595944174	374483465	/nfs/dbraw/zinc/48/34/65/374483465.db2.gz	KWKZQTAOSOEDTM-UHFFFAOYSA-N	-1	3	344.349	-1.676	20	5		EABDHM
O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N1	ZINC000597263081	374495704	/nfs/dbraw/zinc/49/57/04/374495704.db2.gz	VXVCFCRNRBHVES-MRVPVSSYSA-N	-1	3	342.333	-1.122	20	5		EABDHM
O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N1	ZINC000597263082	374494896	/nfs/dbraw/zinc/49/48/96/374494896.db2.gz	VXVCFCRNRBHVES-QMMMGPOBSA-N	-1	3	342.333	-1.122	20	5		EABDHM
O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC(O)(CO)C1	ZINC000597702313	374503486	/nfs/dbraw/zinc/50/34/86/374503486.db2.gz	KQFJZJZSAPNHDD-UHFFFAOYSA-N	-1	3	345.333	-1.561	20	5		EABDHM
O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CCNC1=O	ZINC000597854443	374505794	/nfs/dbraw/zinc/50/57/94/374505794.db2.gz	GIXVNJCASMOORY-QMMMGPOBSA-N	-1	3	342.333	-1.122	20	5		EABDHM
O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC(CO)CO	ZINC000598898178	374509363	/nfs/dbraw/zinc/50/93/63/374509363.db2.gz	COVPQDHVOWEDQM-UHFFFAOYSA-N	-1	3	333.322	-1.658	20	5		EABDHM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(=O)N2CCNCC2)n1	ZINC000599098454	374511836	/nfs/dbraw/zinc/51/18/36/374511836.db2.gz	VHBFTAAUCPZVDC-UHFFFAOYSA-N	-1	3	332.342	-1.962	20	5		EABDHM
O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@H](O)[C@@H](O)C1	ZINC000600217422	375217233	/nfs/dbraw/zinc/21/72/33/375217233.db2.gz	YLCHUXHJIAGSDP-UWVGGRQHSA-N	-1	3	345.333	-1.563	20	5		EABDHM
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC	ZINC000619496721	374828169	/nfs/dbraw/zinc/82/81/69/374828169.db2.gz	GRNCPOHOSQCJNY-SSDOTTSWSA-N	-1	3	333.322	-1.011	20	5		EABDHM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC	ZINC000619496722	374830039	/nfs/dbraw/zinc/83/00/39/374830039.db2.gz	GRNCPOHOSQCJNY-ZETCQYMHSA-N	-1	3	333.322	-1.011	20	5		EABDHM
Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000737769985	583235576	/nfs/dbraw/zinc/23/55/76/583235576.db2.gz	DWMPSSWWPRLVHK-UHFFFAOYSA-N	-1	3	348.283	-1.007	20	5		EABDHM
Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000737769985	583235572	/nfs/dbraw/zinc/23/55/72/583235572.db2.gz	DWMPSSWWPRLVHK-UHFFFAOYSA-N	-1	3	348.283	-1.007	20	5		EABDHM
Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000737772274	583235798	/nfs/dbraw/zinc/23/57/98/583235798.db2.gz	XIOZWXGIYNZTKI-UHFFFAOYSA-N	-1	3	348.283	-1.007	20	5		EABDHM
Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000737772274	583235796	/nfs/dbraw/zinc/23/57/96/583235796.db2.gz	XIOZWXGIYNZTKI-UHFFFAOYSA-N	-1	3	348.283	-1.007	20	5		EABDHM
CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	ZINC000757723251	583256962	/nfs/dbraw/zinc/25/69/62/583256962.db2.gz	BKCZYGPZXCWVFV-SECBINFHSA-N	-1	3	333.322	-1.011	20	5		EABDHM
CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	ZINC000757723255	583257133	/nfs/dbraw/zinc/25/71/33/583257133.db2.gz	BKCZYGPZXCWVFV-VIFPVBQESA-N	-1	3	333.322	-1.011	20	5		EABDHM
CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	ZINC000757725287	583257174	/nfs/dbraw/zinc/25/71/74/583257174.db2.gz	JHVQSHYLEYFXNT-MRVPVSSYSA-N	-1	3	333.322	-1.011	20	5		EABDHM
CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	ZINC000757725289	583257604	/nfs/dbraw/zinc/25/76/04/583257604.db2.gz	JHVQSHYLEYFXNT-QMMMGPOBSA-N	-1	3	333.322	-1.011	20	5		EABDHM
CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000757728803	583257671	/nfs/dbraw/zinc/25/76/71/583257671.db2.gz	QPWLHFPGKLMIIA-MRVPVSSYSA-N	-1	3	333.322	-1.011	20	5		EABDHM
CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000757728805	583257535	/nfs/dbraw/zinc/25/75/35/583257535.db2.gz	QPWLHFPGKLMIIA-QMMMGPOBSA-N	-1	3	333.322	-1.011	20	5		EABDHM
O=C(CO)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1	ZINC000826415228	583353789	/nfs/dbraw/zinc/35/37/89/583353789.db2.gz	XOLXAIWAVBIOKE-UHFFFAOYSA-N	-1	3	334.296	-1.189	20	5		EABDHM
O=C(CO)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1	ZINC000826415228	583353786	/nfs/dbraw/zinc/35/37/86/583353786.db2.gz	XOLXAIWAVBIOKE-UHFFFAOYSA-N	-1	3	334.296	-1.189	20	5		EABDHM
O=C1NC(=O)N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@H]12	ZINC000826481641	583354893	/nfs/dbraw/zinc/35/48/93/583354893.db2.gz	DCYXKIDUCOCQLH-MRVPVSSYSA-N	-1	3	345.279	-1.090	20	5		EABDHM
O=C1NC(=O)N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@@H]12	ZINC000826481642	583354508	/nfs/dbraw/zinc/35/45/08/583354508.db2.gz	DCYXKIDUCOCQLH-QMMMGPOBSA-N	-1	3	345.279	-1.090	20	5		EABDHM
O=C(OCCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCS(=O)(=O)[N-]1	ZINC000845375177	583394324	/nfs/dbraw/zinc/39/43/24/583394324.db2.gz	JMAVOAIZXBEPRN-SECBINFHSA-N	-1	3	331.306	-1.009	20	5		EABDHM
O=C(OCCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCS(=O)(=O)[N-]1	ZINC000845375181	583394192	/nfs/dbraw/zinc/39/41/92/583394192.db2.gz	JMAVOAIZXBEPRN-VIFPVBQESA-N	-1	3	331.306	-1.009	20	5		EABDHM
NC(=O)C1=NO[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1	ZINC000845915994	583396518	/nfs/dbraw/zinc/39/65/18/583396518.db2.gz	IUBCVORBHICTIB-SSDOTTSWSA-N	-1	3	329.294	-1.102	20	5		EABDHM
NC(=O)C1=NO[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1	ZINC000845915996	583396544	/nfs/dbraw/zinc/39/65/44/583396544.db2.gz	IUBCVORBHICTIB-ZETCQYMHSA-N	-1	3	329.294	-1.102	20	5		EABDHM
O=C(NC1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC000991295698	669397910	/nfs/dbraw/zinc/39/79/10/669397910.db2.gz	IQNWQNNLYCOOQP-VXNVDRBHSA-N	-1	3	347.291	-1.977	20	5		EABDHM
O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cc(=O)n2[n-]cnc2n1	ZINC000996409108	669752914	/nfs/dbraw/zinc/75/29/14/669752914.db2.gz	SZYPOTMXFPXGAY-VXNVDRBHSA-N	-1	3	347.291	-1.977	20	5		EABDHM
O=C(NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ncccc1[O-]	ZINC001042716637	673476028	/nfs/dbraw/zinc/47/60/28/673476028.db2.gz	VXCOCHYJHFJMGA-RKDXNWHRSA-N	-1	3	336.304	-1.245	20	5		EABDHM
Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1[O-]	ZINC001042976477	673524923	/nfs/dbraw/zinc/52/49/23/673524923.db2.gz	CXXPZJFEJXCPBG-HTQZYQBOSA-N	-1	3	339.308	-1.608	20	5		EABDHM
O=C(NCC1(O)CN(C(=O)c2ncccc2[O-])C1)[C@@H]1CC1[N+](=O)[O-]	ZINC001042976622	673525563	/nfs/dbraw/zinc/52/55/63/673525563.db2.gz	LVZDEGUUTSSYCJ-RKDXNWHRSA-N	-1	3	336.304	-1.245	20	5		EABDHM
Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1[O-]	ZINC001057353718	672637247	/nfs/dbraw/zinc/63/72/47/672637247.db2.gz	DBXXPKJCQAQHNY-RKDXNWHRSA-N	-1	3	341.324	-1.360	20	5		EABDHM
O=C(Cn1cnnn1)N[C@@H]1[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]21	ZINC001060384613	669739920	/nfs/dbraw/zinc/73/99/20/669739920.db2.gz	LZEPYCWXEHNKJR-VROVMSAKSA-N	-1	3	346.307	-1.067	20	5		EABDHM
O=C(Cn1ncnn1)N[C@@H]1[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]21	ZINC001060442326	669836213	/nfs/dbraw/zinc/83/62/13/669836213.db2.gz	YTBNZDQIWRBXPW-VROVMSAKSA-N	-1	3	346.307	-1.067	20	5		EABDHM
Nc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[n-]n2)ncc1[N+](=O)[O-]	ZINC001060489480	669854785	/nfs/dbraw/zinc/85/47/85/669854785.db2.gz	SUAFLYAKNVQLMS-KPCSLPGQSA-N	-1	3	331.296	-1.050	20	5		EABDHM
NC(=O)C(=O)N1CCC(O)(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC001067484829	668390338	/nfs/dbraw/zinc/39/03/38/668390338.db2.gz	BOSVGOWTJLGYJF-UHFFFAOYSA-N	-1	3	339.308	-1.054	20	5		EABDHM
O=C(CN1C(=O)CNC1=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001093622249	787666361	/nfs/dbraw/zinc/66/63/61/787666361.db2.gz	QPTSSRYWXNNFOJ-UHFFFAOYSA-N	-1	3	338.280	-1.225	20	5		EABDHM
CNS(=O)(=O)CC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001093661227	787668539	/nfs/dbraw/zinc/66/85/39/787668539.db2.gz	RYKQJGAVLXCYMX-UHFFFAOYSA-N	-1	3	333.326	-1.227	20	5		EABDHM
Cn1cnn(CC(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1=O	ZINC001093963686	787679532	/nfs/dbraw/zinc/67/95/32/787679532.db2.gz	TVWLZROLJFZSCT-UHFFFAOYSA-N	-1	3	337.296	-1.181	20	5		EABDHM
CNS(=O)(=O)NCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001094007503	787680807	/nfs/dbraw/zinc/68/08/07/787680807.db2.gz	RHPJNMLUIZNGOV-UHFFFAOYSA-N	-1	3	348.341	-1.723	20	5		EABDHM
O=C(CN1CCNC(=O)C1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001094057422	787681704	/nfs/dbraw/zinc/68/17/04/787681704.db2.gz	SOXTWYNXBZDBRQ-UHFFFAOYSA-N	-1	3	338.324	-1.345	20	5		EABDHM
NC(=O)C(=O)NCCN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC001096297589	791980343	/nfs/dbraw/zinc/98/03/43/791980343.db2.gz	KGOMVOZSTIIYOO-UHFFFAOYSA-N	-1	3	338.324	-1.581	20	5		EABDHM
NC(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]21	ZINC001097553030	792011847	/nfs/dbraw/zinc/01/18/47/792011847.db2.gz	XXIDSEJOQRGYQK-MTBHXBHISA-N	-1	3	336.308	-1.086	20	5		EABDHM
CNS(=O)(=O)CC(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001100140348	786628717	/nfs/dbraw/zinc/62/87/17/786628717.db2.gz	LOTQVEPTMQWNFL-UHFFFAOYSA-N	-1	3	347.353	-1.203	20	5		EABDHM
NC(=O)NCC(=O)N(CCO)CCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001111416408	791651377	/nfs/dbraw/zinc/65/13/77/791651377.db2.gz	GAMIPMUGOKJOGI-UHFFFAOYSA-N	-1	3	342.312	-1.404	20	5		EABDHM
NC(=O)CC(=O)N(CCO)CCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001111440945	792000016	/nfs/dbraw/zinc/00/00/16/792000016.db2.gz	NCLKZPYUHTZBKR-UHFFFAOYSA-N	-1	3	327.297	-1.196	20	5		EABDHM
NC(=O)C(=O)NC1(CO)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC001112673278	786642467	/nfs/dbraw/zinc/64/24/67/786642467.db2.gz	GODJQDICWJSIIV-UHFFFAOYSA-N	-1	3	339.308	-1.372	20	5		EABDHM
CN(CCOCCNC(=O)C(N)=O)c1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001115250498	792639866	/nfs/dbraw/zinc/63/98/66/792639866.db2.gz	PIMCLCSICALBAI-UHFFFAOYSA-N	-1	3	327.297	-1.250	20	5		EABDHM
COCCN(CCNC(=O)C(N)=O)c1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001126507904	785633510	/nfs/dbraw/zinc/63/35/10/785633510.db2.gz	MAELWLCJTWIGFB-UHFFFAOYSA-N	-1	3	327.297	-1.250	20	5		EABDHM