smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])cc2c1N[C@@H](C(=O)[O-])[C@@H]1CC=C[C@H]21 ZINC000004132373 301430143 /nfs/dbraw/zinc/43/01/43/301430143.db2.gz FQMGHDYQCQVRST-OPQQBVKSSA-N -1 0 274.276 2.442 40 10 CECBRM Cc1ccoc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000107579478 344261014 /nfs/dbraw/zinc/26/10/14/344261014.db2.gz PAQWVKMWXVAUBY-XFXZXTDPSA-N -1 0 268.272 2.049 40 10 CECBRM COc1cccc(CNc2cncc(C(=O)[O-])c2)c1O ZINC000257198068 344647763 /nfs/dbraw/zinc/64/77/63/344647763.db2.gz RPXVFPMKSAAJDE-UHFFFAOYSA-N -1 0 274.276 2.106 40 10 CECBRM O=C([O-])[C@@H]1c2nc3ccccc3nc2CCC1=S ZINC000584577472 344959000 /nfs/dbraw/zinc/95/90/00/344959000.db2.gz BIHFMCKFLALKPJ-NSHDSACASA-N -1 0 258.302 2.376 40 10 CECBRM CC[C@H](C(=O)[O-])N(C)c1ccc(OC)cc1OC ZINC000225000094 370284239 /nfs/dbraw/zinc/28/42/39/370284239.db2.gz CAIYVQHVWRAKGW-SNVBAGLBSA-N -1 0 253.298 2.003 40 10 CECBRM CC[C@H]1SC(=S)N(CCCCCC(=O)[O-])C1=O ZINC000005374409 170090420 /nfs/dbraw/zinc/09/04/20/170090420.db2.gz FZJNJGUBFOSNMH-MRVPVSSYSA-N -1 0 275.395 2.270 40 10 CECBRM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1ccccc1O ZINC000039239538 174166789 /nfs/dbraw/zinc/16/67/89/174166789.db2.gz CBJVTWUVPXQONY-JTQLQIEISA-N -1 0 267.281 2.043 40 10 CECBRM COC(=O)c1cccc2c1N[C@@H](C(=O)[O-])[C@H]1CC=C[C@@H]21 ZINC000005798270 292022692 /nfs/dbraw/zinc/02/26/92/292022692.db2.gz MVRAHNKBSITDJL-GMOODISLSA-N -1 0 273.288 2.012 40 10 CECBRM O=C([O-])c1sc2c(c1Cl)c(O)cc(O)c2O ZINC000228942062 370416406 /nfs/dbraw/zinc/41/64/06/370416406.db2.gz YWGLBNLRMIIQNZ-UHFFFAOYSA-N -1 0 260.654 2.370 40 10 CECBRM CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)[O-])N2 ZINC000013151546 278250547 /nfs/dbraw/zinc/25/05/47/278250547.db2.gz MAHHEUJIITYGOD-MJVIPROJSA-N -1 0 257.289 2.428 40 10 CECBRM Cc1cc([N+](=O)[O-])cc2c1N[C@@H](C(=O)[O-])[C@H]1CC=C[C@H]21 ZINC000004132369 301430140 /nfs/dbraw/zinc/43/01/40/301430140.db2.gz FQMGHDYQCQVRST-OUJBWJOFSA-N -1 0 274.276 2.442 40 10 CECBRM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccccc1 ZINC000000076968 361124889 /nfs/dbraw/zinc/12/48/89/361124889.db2.gz GJPQZUWTJJXCDP-NTEUORMPSA-N -1 0 281.315 2.274 40 10 CECBRM O=C([O-])c1cc(O)ccc1NC(=O)c1ccccc1F ZINC000012020005 361371978 /nfs/dbraw/zinc/37/19/78/361371978.db2.gz WUGRQZVTCJDKGT-UHFFFAOYSA-N -1 0 275.235 2.482 40 10 CECBRM CCOC(=O)c1cccc2c1N[C@@H](C(=O)[O-])[C@H]1CC=C[C@@H]21 ZINC000058850755 394565580 /nfs/dbraw/zinc/56/55/80/394565580.db2.gz ASSCHJBTRZLIKT-NURSFMCSSA-N -1 0 287.315 2.402 40 10 CECBRM CN1C(=O)/C(=C/c2ccccc2C(=O)[O-])SC1=S ZINC000083312691 363771051 /nfs/dbraw/zinc/77/10/51/363771051.db2.gz BZSHHUMPYCOMJL-TWGQIWQCSA-N -1 0 279.342 2.216 40 10 CECBRM Nc1ccc(Nc2nnc(-c3ccccc3)c(=O)[n-]2)cc1 ZINC000019689886 361547127 /nfs/dbraw/zinc/54/71/27/361547127.db2.gz BFDMPHOHNVDOIP-UHFFFAOYSA-N -1 0 279.303 2.158 40 10 CECBRM CC[C@@H](C(=O)[O-])N(CC)c1ccc(OC)cc1OC ZINC000225000255 370284154 /nfs/dbraw/zinc/28/41/54/370284154.db2.gz IXDGWSHYNDNEKH-NSHDSACASA-N -1 0 267.325 2.393 40 10 CECBRM O=C([O-])C[C@H]1SC(=S)N(C2CCCCC2)C1=O ZINC000216812841 394452804 /nfs/dbraw/zinc/45/28/04/394452804.db2.gz PQWAXVNAXLCBFM-MRVPVSSYSA-N -1 0 273.379 2.023 40 10 CECBRM Nc1ccc(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)cc1 ZINC000009379609 414747153 /nfs/dbraw/zinc/74/71/53/414747153.db2.gz LUSMSAJRZGXJCJ-UHFFFAOYSA-N -1 0 267.288 2.434 40 10 CECBRM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1Cc1ccccc1 ZINC000409060217 375519071 /nfs/dbraw/zinc/51/90/71/375519071.db2.gz YLXXLLRNZVZOCW-OQLLNIDSSA-N -1 0 295.342 2.334 40 10 CECBRM O=C1c2ccccc2[N-]S(=O)(=O)c2ccccc21 ZINC000135827847 344383141 /nfs/dbraw/zinc/38/31/41/344383141.db2.gz QSXVAZSYOKDHJY-UHFFFAOYSA-N -1 0 259.286 2.032 40 10 CECBRM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1C(C)(C)C ZINC000409049965 375518839 /nfs/dbraw/zinc/51/88/39/375518839.db2.gz ZAWUZBGRWIKMAG-YRNVUSSQSA-N -1 0 261.325 2.040 40 10 CECBRM CCCN(c1ccc(OC)cc1OC)[C@H](C)C(=O)[O-] ZINC000260677528 328007064 /nfs/dbraw/zinc/00/70/64/328007064.db2.gz HGXBTFHWDMYOOY-SNVBAGLBSA-N -1 0 267.325 2.393 40 10 CECBRM O=[N+]([O-])c1ccc([O-])c(C2=NN[C@@H](c3cccnc3)C2)c1 ZINC000035026067 361804608 /nfs/dbraw/zinc/80/46/08/361804608.db2.gz ATBGKGJXFHDSQM-GFCCVEGCSA-N -1 0 284.275 2.134 40 10 CECBRM CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)[O-])N2 ZINC000004058451 394455739 /nfs/dbraw/zinc/45/57/39/394455739.db2.gz MCLDLXLZBMYXOG-MISXGVKJSA-N -1 0 287.315 2.402 40 10 CECBRM CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NC(=O)[O-] ZINC000005546910 281700772 /nfs/dbraw/zinc/70/07/72/281700772.db2.gz QIERIMRLJNVXQE-GHXNOFRVSA-N -1 0 273.292 2.177 40 10 CECBRM Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1CN=O ZINC000016160702 361484606 /nfs/dbraw/zinc/48/46/06/361484606.db2.gz PBEDRRMIFPCVSC-LCYFTJDESA-N -1 0 267.288 2.425 40 10 CECBRM O=C([O-])[C@@H]1CS[C@H](c2c(O)ccc3ccccc32)N1 ZINC000006476649 280071083 /nfs/dbraw/zinc/07/10/83/280071083.db2.gz YSQHEHCNKUBBIK-GXFFZTMASA-N -1 0 275.329 2.334 40 10 CECBRM Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1cccc(F)c1 ZINC000408821621 395302876 /nfs/dbraw/zinc/30/28/76/395302876.db2.gz JMCRMXCDEGRKDF-AUWJEWJLSA-N -1 0 299.305 2.414 40 10 CECBRM Nc1nc2nc(N=Nc3ccc(Cl)cc3)[n-]c2c(=O)[nH]1 ZINC000018158079 361515882 /nfs/dbraw/zinc/51/58/82/361515882.db2.gz GJEUVQDKRXQRST-VHEBQXMUSA-N -1 0 289.686 2.297 40 10 CECBRM C[C@@H](NN)c1cc(Cl)cc(Br)c1[O-] ZINC000199536303 539185172 /nfs/dbraw/zinc/18/51/72/539185172.db2.gz QLCIINOLNUSCRM-SCSAIBSYSA-N -1 0 265.538 2.332 40 10 CECBRM C[C@H](NN)c1cc(Cl)cc(Br)c1[O-] ZINC000199536290 539185189 /nfs/dbraw/zinc/18/51/89/539185189.db2.gz QLCIINOLNUSCRM-BYPYZUCNSA-N -1 0 265.538 2.332 40 10 CECBRM O=C1[N-]C(=O)C(=Cc2csc3ccccc23)C(=O)N1 ZINC000001700953 280277189 /nfs/dbraw/zinc/27/71/89/280277189.db2.gz KYUZIHNLKUMCRA-UHFFFAOYSA-N -1 0 272.285 2.491 40 10 CECBRM COc1cc(O)cc(-c2cc(O)c(O)cc2C)c1C(=O)[O-] ZINC000031156571 361709386 /nfs/dbraw/zinc/70/93/86/361709386.db2.gz LRPKVZCPOLBQHA-UHFFFAOYSA-N -1 0 290.271 2.486 40 10 biogenic,in-vitro CECBRM CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)[O-])N2 ZINC000004058449 394455415 /nfs/dbraw/zinc/45/54/15/394455415.db2.gz MCLDLXLZBMYXOG-COPLHBTASA-N -1 0 287.315 2.402 40 10 CECBRM O=[N+]([O-])c1ccc([O-])c(C2=NN[C@H](c3cccnc3)C2)c1 ZINC000035026066 361803957 /nfs/dbraw/zinc/80/39/57/361803957.db2.gz ATBGKGJXFHDSQM-LBPRGKRZSA-N -1 0 284.275 2.134 40 10 CECBRM COC(=O)c1sc(OC)c(Br)c1[O-] ZINC000039294860 394498910 /nfs/dbraw/zinc/49/89/10/394498910.db2.gz ZBXVXAACBFBICA-UHFFFAOYSA-N -1 0 267.100 2.011 40 10 CECBRM CCCCCCN1C(=O)[N-]C(=O)/C(=C\c2ccc[nH]2)C1=O ZINC000103770373 364668536 /nfs/dbraw/zinc/66/85/36/364668536.db2.gz FUDIHVRVAINEMN-ZRDIBKRKSA-N -1 0 289.335 2.057 40 10 CECBRM CC[C@@H](C(=O)[O-])N(C)c1ccc(OC)cc1OC ZINC000225000053 370283688 /nfs/dbraw/zinc/28/36/88/370283688.db2.gz CAIYVQHVWRAKGW-JTQLQIEISA-N -1 0 253.298 2.003 40 10 CECBRM Nc1ccc(Oc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000001596933 539927134 /nfs/dbraw/zinc/92/71/34/539927134.db2.gz WUATXTZXBBEMCN-UHFFFAOYSA-N -1 0 265.290 2.308 40 10 CECBRM O=c1oc2ccc(O)c([O-])c2c2ccc([N+](=O)[O-])cc12 ZINC000087493591 363858103 /nfs/dbraw/zinc/85/81/03/363858103.db2.gz GRFGIIJCSBXOTA-UHFFFAOYSA-N -1 0 273.200 2.266 40 10 CECBRM O=C([O-])/C=C/c1cc2c3c(c1O)CCCN3CCC2 ZINC000044201234 327134369 /nfs/dbraw/zinc/13/43/69/327134369.db2.gz WWCTXMUDUSHFSL-AATRIKPKSA-N -1 0 259.305 2.189 40 10 CECBRM Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(Cl)cc1 ZINC000100517492 364547672 /nfs/dbraw/zinc/54/76/72/364547672.db2.gz QBPNMKUZSYLVCR-SOLLPLKKSA-N -1 0 295.755 2.254 40 10 CECBRM O=C([O-])[C@H]1CS[C@@H](c2c(O)ccc3ccccc32)N1 ZINC000006476652 284449761 /nfs/dbraw/zinc/44/97/61/284449761.db2.gz YSQHEHCNKUBBIK-MFKMUULPSA-N -1 0 275.329 2.334 40 10 CECBRM CCN1C(=O)[N-]C(=O)C(=Cc2c[nH]c3ccccc23)C1=O ZINC000059109625 394566522 /nfs/dbraw/zinc/56/65/22/394566522.db2.gz GOCXSLYHUOTLJD-YRNVUSSQSA-N -1 0 283.287 2.490 40 10 CECBRM CCN(CCCC(=O)[O-])c1ccc(OC)cc1OC ZINC000225000214 370284206 /nfs/dbraw/zinc/28/42/06/370284206.db2.gz SATWBPVZCXVBAL-UHFFFAOYSA-N -1 0 267.325 2.395 40 10 CECBRM O=C1[N-]C(=O)C(=Cc2ccc3ccccc3c2)C(=O)N1 ZINC000001621536 284855787 /nfs/dbraw/zinc/85/57/87/284855787.db2.gz FDEWNHZLVHMLEY-UHFFFAOYSA-N -1 0 266.256 2.430 40 10 CECBRM CCCN(c1ccc(OC)cc1OC)[C@@H](C)C(=O)[O-] ZINC000225000416 283308482 /nfs/dbraw/zinc/30/84/82/283308482.db2.gz HGXBTFHWDMYOOY-JTQLQIEISA-N -1 0 267.325 2.393 40 10 CECBRM CCOC(=O)c1sc2nc(SC)ncc2c1[O-] ZINC000021298555 171300952 /nfs/dbraw/zinc/30/09/52/171300952.db2.gz BVEKTTYQGDZSLL-UHFFFAOYSA-N -1 0 270.335 2.296 40 10 CECBRM Cn1c([O-])c(N=Nc2ccc([N+](=O)[O-])cc2)sc1=S ZINC000008214434 361342169 /nfs/dbraw/zinc/34/21/69/361342169.db2.gz HHLAJTWCKSBJFA-MDBUJETNSA-N -1 0 296.333 2.495 40 10 in-man CECBRM Cn1c([O-])c(N=Nc2ccc([N+](=O)[O-])cc2)sc1=S ZINC000100522667 364547691 /nfs/dbraw/zinc/54/76/91/364547691.db2.gz HHLAJTWCKSBJFA-RWKJSZNZSA-N -1 0 296.333 2.495 40 10 in-man CECBRM CCCCN(C)N=Nc1n[nH]cc1C(=O)OCC ZINC000104096323 364677538 /nfs/dbraw/zinc/67/75/38/364677538.db2.gz CWYXGQNFQVKDRZ-PFONDFGASA-N -1 0 253.306 2.317 40 10 CECBRM O=C(Cc1ccccc1)c1cc(O)c([O-])c([N+](=O)[O-])c1 ZINC000000008750 361116355 /nfs/dbraw/zinc/11/63/55/361116355.db2.gz MRFOLGFFTUGAEB-UHFFFAOYSA-N -1 0 273.244 2.431 40 10 in-man CECBRM O=C([O-])[C@H]1CS[C@H](c2c(O)ccc3ccccc32)N1 ZINC000006476650 280072321 /nfs/dbraw/zinc/07/23/21/280072321.db2.gz YSQHEHCNKUBBIK-ZWNOBZJWSA-N -1 0 275.329 2.334 40 10 CECBRM Cn1c([O-])c(N=Nc2ccc([N+](=O)[O-])cc2)sc1=S ZINC000100373060 364544082 /nfs/dbraw/zinc/54/40/82/364544082.db2.gz HHLAJTWCKSBJFA-BVKVCPRXSA-N -1 0 296.333 2.495 40 10 in-man CECBRM CC[C@@H]1SC(=S)N(CCCCCC(=O)[O-])C1=O ZINC000005374411 170090515 /nfs/dbraw/zinc/09/05/15/170090515.db2.gz FZJNJGUBFOSNMH-QMMMGPOBSA-N -1 0 275.395 2.270 40 10 CECBRM O=C1c2ccccc2C(=O)c2c([O-])cc([N+](=O)[O-])cc21 ZINC000005699235 361335183 /nfs/dbraw/zinc/33/51/83/361335183.db2.gz KGZXPGUXBNWRFB-UHFFFAOYSA-N -1 0 269.212 2.076 40 10 CECBRM COc1ccc(N(C)CCCC(=O)[O-])c(OC)c1 ZINC000224999996 295154500 /nfs/dbraw/zinc/15/45/00/295154500.db2.gz OQMFLUGJWLSNED-UHFFFAOYSA-N -1 0 253.298 2.005 40 10 CECBRM O=Cc1cc(O)c([O-])c(Br)c1Br ZINC000002566023 361240813 /nfs/dbraw/zinc/24/08/13/361240813.db2.gz NPHFSCNBXDSJAS-UHFFFAOYSA-N -1 0 295.914 2.435 40 10 CECBRM Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(Cl)cc1 ZINC000100517487 364547627 /nfs/dbraw/zinc/54/76/27/364547627.db2.gz QBPNMKUZSYLVCR-ASLCJXLESA-N -1 0 295.755 2.254 40 10 CECBRM CCN(c1ccc(OC)cc1OC)[C@H](C)C(=O)[O-] ZINC000260679507 328007091 /nfs/dbraw/zinc/00/70/91/328007091.db2.gz PLSRMPKHVIASCY-SECBINFHSA-N -1 0 253.298 2.003 40 10 CECBRM Cn1c([O-])c(N=Nc2ccc([N+](=O)[O-])cc2)sc1=S ZINC000056897649 362564689 /nfs/dbraw/zinc/56/46/89/362564689.db2.gz HHLAJTWCKSBJFA-WYNUBKAASA-N -1 0 296.333 2.495 40 10 in-man CECBRM O=C([O-])/C=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000033381291 304024329 /nfs/dbraw/zinc/02/43/29/304024329.db2.gz UDLTYRICBOUKIU-XQRVVYSFSA-N -1 0 262.265 2.293 40 10 CECBRM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccccc1O ZINC000039239539 174166917 /nfs/dbraw/zinc/16/69/17/174166917.db2.gz CBJVTWUVPXQONY-SNVBAGLBSA-N -1 0 267.281 2.043 40 10 CECBRM O=C([O-])c1cc2c(s1)C(=O)c1sccc1C2=O ZINC000001635070 304228732 /nfs/dbraw/zinc/22/87/32/304228732.db2.gz WTAUYWUADNKEOY-UHFFFAOYSA-N -1 0 264.283 2.283 40 10 CECBRM CCOc1sc(C(=O)OC)c([O-])c1Br ZINC000096511002 394694176 /nfs/dbraw/zinc/69/41/76/394694176.db2.gz ULYNRLVFMJGCAI-UHFFFAOYSA-N -1 0 281.127 2.402 40 10 CECBRM CC(=C1SC(=S)N=C1[O-])c1ccccc1O ZINC000104085031 185894642 /nfs/dbraw/zinc/89/46/42/185894642.db2.gz YPTTWPLUDZVSKQ-RMKNXTFCSA-N -1 0 251.332 2.271 40 10 CECBRM COc1cc(O)c(C(=O)[O-])c(-c2cc(O)c(O)cc2C)c1 ZINC000013118241 361419143 /nfs/dbraw/zinc/41/91/43/361419143.db2.gz ADPBTBPPIIKLEH-UHFFFAOYSA-N -1 0 290.271 2.486 40 10 biogenic,in-vivo CECBRM O=C([O-])CCCN1C(=O)/C(=C/c2ccc[nH]2)SC1=S ZINC000005374584 170090393 /nfs/dbraw/zinc/09/03/93/170090393.db2.gz CNADMNTYMCVTFI-CLFYSBASSA-N -1 0 296.373 2.081 40 10 CECBRM CC1=CC(C)(C)N(C)c2ccc(/C=C3/NC(=O)[N-]C3=O)cc21 ZINC000208448569 419459968 /nfs/dbraw/zinc/45/99/68/419459968.db2.gz MXYDQFFFQRADGG-MDWZMJQESA-N -1 0 297.358 2.499 40 10 CECBRM O=C([O-])C[C@@H]1SC(=S)N(C2CCCCC2)C1=O ZINC000216812800 394453035 /nfs/dbraw/zinc/45/30/35/394453035.db2.gz PQWAXVNAXLCBFM-QMMMGPOBSA-N -1 0 273.379 2.023 40 10 CECBRM CCCCN(C)N=Nc1c(C)[nH]nc1C(=O)OC ZINC000104119197 394717761 /nfs/dbraw/zinc/71/77/61/394717761.db2.gz QPJJENPWBARMJN-PFONDFGASA-N -1 0 253.306 2.235 40 10 CECBRM O=Cc1cc(Br)c([O-])c(O)c1Br ZINC000005943545 361334413 /nfs/dbraw/zinc/33/44/13/361334413.db2.gz RMVZWWRDAIPUJH-UHFFFAOYSA-N -1 0 295.914 2.435 40 10 CECBRM CCCN(CC(=O)[O-])c1ccc(OC)cc1OC ZINC000225000358 130806121 /nfs/dbraw/zinc/80/61/21/130806121.db2.gz WOWVFMHBLSXKFM-UHFFFAOYSA-N -1 0 253.298 2.005 40 10 CECBRM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1C1CCCC1 ZINC000001096863 343350849 /nfs/dbraw/zinc/35/08/49/343350849.db2.gz VFIUSXKRPHFUAM-MDWZMJQESA-N -1 0 273.336 2.400 40 10 CECBRM O=[N+]([O-])c1ccc([O-])c(C2=NN=C(C(F)(F)F)C2)c1 ZINC000198894384 344526581 /nfs/dbraw/zinc/52/65/81/344526581.db2.gz OBCPSNHYVRWQBV-UHFFFAOYSA-N -1 0 273.170 2.412 40 10 CECBRM [NH3+][C@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1[O-] ZINC000002586218 361242573 /nfs/dbraw/zinc/24/25/73/361242573.db2.gz BRFAIKLOYWPAPR-SSDOTTSWSA-N -1 0 250.081 2.174 40 10 CECBRM CC[C@H](C(=O)[O-])N(CC)c1ccc(OC)cc1OC ZINC000225000291 370283668 /nfs/dbraw/zinc/28/36/68/370283668.db2.gz IXDGWSHYNDNEKH-LLVKDONJSA-N -1 0 267.325 2.393 40 10 CECBRM CCN(c1ccc(OC)cc1OC)[C@@H](C)C(=O)[O-] ZINC000225000159 535415670 /nfs/dbraw/zinc/41/56/70/535415670.db2.gz PLSRMPKHVIASCY-VIFPVBQESA-N -1 0 253.298 2.003 40 10 CECBRM CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2[O-])SC1=S ZINC000033319503 361776135 /nfs/dbraw/zinc/77/61/35/361776135.db2.gz DYPMEUSUFWXBDB-YVMONPNESA-N -1 0 296.329 2.131 40 10 CECBRM COC(=O)CCSC(=S)[N-]Cc1ccccc1 ZINC000005997004 170165953 /nfs/dbraw/zinc/16/59/53/170165953.db2.gz RMIDAWHSPFYENA-UHFFFAOYSA-N -1 0 269.391 2.357 40 10 CECBRM