smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccccc1F ZINC000013464567 181852376 /nfs/dbraw/zinc/85/23/76/181852376.db2.gz VRWSQNJUGYYDMS-UHFFFAOYSA-N -1 2 309.318 2.633 50 0 DFAALM COc1cccc(C(=O)c2c[nH]c3ccc(OC)cc3c2=O)c1 ZINC000000248820 425548265 /nfs/dbraw/zinc/54/82/65/425548265.db2.gz QYWSRZCHEKASQS-UHFFFAOYSA-N -1 2 309.321 2.776 50 0 DFAALM Cc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000008923736 425676963 /nfs/dbraw/zinc/67/69/63/425676963.db2.gz GTHSEHHPODAHPT-UHFFFAOYSA-N -1 2 315.347 2.695 50 0 DFAALM Cc1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])s1 ZINC000035306738 425844078 /nfs/dbraw/zinc/84/40/78/425844078.db2.gz VUCRIKANHPJHES-UHFFFAOYSA-N -1 2 315.347 2.695 50 0 DFAALM Cc1cc(S(=O)(=O)Nc2cccc(F)c2)sc1C(=O)[O-] ZINC000037238708 425847598 /nfs/dbraw/zinc/84/75/98/425847598.db2.gz SXOATFSUNBAHJP-UHFFFAOYSA-N -1 2 315.347 2.695 50 0 DFAALM Cc1c(C(=O)[O-])sc2ncn(Cc3ccccc3)c(=O)c12 ZINC000013417135 181848782 /nfs/dbraw/zinc/84/87/82/181848782.db2.gz KKLONASLFCQOPF-UHFFFAOYSA-N -1 2 300.339 2.513 50 0 DFAALM Cc1oncc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000269361326 427178281 /nfs/dbraw/zinc/17/82/81/427178281.db2.gz VTZUQDGWRCLXQO-UHFFFAOYSA-N -1 2 324.358 2.605 50 0 DFAALM O=S(=O)(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)C1CC1 ZINC000575618498 430085437 /nfs/dbraw/zinc/08/54/37/430085437.db2.gz BRZWVKMUBXRKAI-UHFFFAOYSA-N -1 2 317.414 2.791 50 0 DFAALM O=C([O-])c1cccc(O[C@@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000013419237 181848831 /nfs/dbraw/zinc/84/88/31/181848831.db2.gz WAZPCTXUNCRYCN-MRXNPFEDSA-N -1 2 311.337 2.784 50 0 DFAALM O=C([O-])Cc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1 ZINC000000262026 425549605 /nfs/dbraw/zinc/54/96/05/425549605.db2.gz GLZVKBFEXWLPAX-CXUHLZMHSA-N -1 2 300.270 2.678 50 0 DFAALM Cc1ccc(F)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000037462906 425848246 /nfs/dbraw/zinc/84/82/46/425848246.db2.gz BDVWBVDCGILJSF-UHFFFAOYSA-N -1 2 309.318 2.633 50 0 DFAALM O=C([O-])c1ccccc1C(=O)c1nc2c([nH]1)C(=O)c1ccccc1-2 ZINC000005687452 181272565 /nfs/dbraw/zinc/27/25/65/181272565.db2.gz GKGSAINEYBYADD-UHFFFAOYSA-N -1 2 318.288 2.550 50 0 DFAALM O=C([O-])c1ccccc1C(=O)c1nc2c([nH]1)-c1ccccc1C2=O ZINC000005687452 181272568 /nfs/dbraw/zinc/27/25/68/181272568.db2.gz GKGSAINEYBYADD-UHFFFAOYSA-N -1 2 318.288 2.550 50 0 DFAALM Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000007230428 425639392 /nfs/dbraw/zinc/63/93/92/425639392.db2.gz WCOIAUYWMTVWKQ-UHFFFAOYSA-N -1 2 323.345 2.942 50 0 DFAALM O=C([O-])c1ccccc1-c1nc2cc(Cl)ccc2c(=O)n1O ZINC000001401799 304266709 /nfs/dbraw/zinc/26/67/09/304266709.db2.gz GUWKHLANBBRVJE-UHFFFAOYSA-N -1 2 316.700 2.652 50 0 DFAALM O=C([O-])c1csc(S(=O)(=O)Nc2cc(F)cc(F)c2)c1 ZINC000013278619 425752204 /nfs/dbraw/zinc/75/22/04/425752204.db2.gz DYXXCSHKWSEWHF-UHFFFAOYSA-N -1 2 319.310 2.525 50 0 DFAALM O=C([O-])CCCN1C(=O)S/C(=C\C=C\c2ccco2)C1=O ZINC000005478190 181248165 /nfs/dbraw/zinc/24/81/65/181248165.db2.gz UXFSVHTXFHKESH-PZXDNKHOSA-N -1 2 307.327 2.737 50 0 DFAALM CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000021817729 182293415 /nfs/dbraw/zinc/29/34/15/182293415.db2.gz NZXNBZOYAGRMSS-UHFFFAOYSA-N -1 2 311.384 2.810 50 0 DFAALM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1F ZINC000015243672 425779758 /nfs/dbraw/zinc/77/97/58/425779758.db2.gz LECNDKQZDRDQHL-UHFFFAOYSA-N -1 2 315.347 2.695 50 0 DFAALM O=C([O-])COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000019941755 182168211 /nfs/dbraw/zinc/16/82/11/182168211.db2.gz WURHNPAXJPIXHT-UHFFFAOYSA-N -1 2 312.277 2.629 50 0 DFAALM O=C([O-])c1cc(NS(=O)(=O)c2cccs2)ccc1Cl ZINC000037641986 425849069 /nfs/dbraw/zinc/84/90/69/425849069.db2.gz VXYDDXPDNYALFF-UHFFFAOYSA-N -1 2 317.775 2.901 50 0 DFAALM O=C([O-])COc1ccccc1C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000216248149 426556727 /nfs/dbraw/zinc/55/67/27/426556727.db2.gz BCDJKILMRSIPFD-ZDUSSCGKSA-N -1 2 318.398 2.944 50 0 DFAALM O=C([O-])C(=Cc1[nH+]c(-c2ccccc2)n2ccccc12)C(=O)[O-] ZINC000004136708 181078283 /nfs/dbraw/zinc/07/82/83/181078283.db2.gz IPDMHYFTZGQUJQ-UHFFFAOYSA-N -1 2 308.293 2.554 50 0 DFAALM Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000015243144 425780506 /nfs/dbraw/zinc/78/05/06/425780506.db2.gz GLVMLQCBILEOCR-UHFFFAOYSA-N -1 2 311.384 2.864 50 0 DFAALM Cc1cc(S(=O)(=O)Nc2ccccc2C)sc1C(=O)[O-] ZINC000037238826 425847653 /nfs/dbraw/zinc/84/76/53/425847653.db2.gz JKXWAIWWUOAKQM-UHFFFAOYSA-N -1 2 311.384 2.864 50 0 DFAALM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)s1 ZINC000021804628 182291204 /nfs/dbraw/zinc/29/12/04/182291204.db2.gz FJRDKHNPHTYQMF-UHFFFAOYSA-N -1 2 311.384 2.864 50 0 DFAALM Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000012552002 425731920 /nfs/dbraw/zinc/73/19/20/425731920.db2.gz FFEGZYPQYRPNDV-UHFFFAOYSA-N -1 2 311.384 2.864 50 0 DFAALM Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])s1 ZINC000021010715 182260239 /nfs/dbraw/zinc/26/02/39/182260239.db2.gz WGSSPNHZQJETQS-UHFFFAOYSA-N -1 2 311.384 2.864 50 0 DFAALM O=C([O-])c1ccc(Cn2c(=O)c3sccc3[nH]c2=S)cc1 ZINC000100026389 304244943 /nfs/dbraw/zinc/24/49/43/304244943.db2.gz HFBBETQVOXCNFI-UHFFFAOYSA-N -1 2 318.379 2.867 50 0 DFAALM O=C([O-])c1cn2cc(Br)cc(Br)c2n1 ZINC000003742144 181044742 /nfs/dbraw/zinc/04/47/42/181044742.db2.gz DOYNQSCYEDXVFT-UHFFFAOYSA-N -1 2 319.940 2.558 50 0 DFAALM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cccs3)ccc21 ZINC000065565353 184366721 /nfs/dbraw/zinc/36/67/21/184366721.db2.gz FGWXEYTUTIWYJY-UHFFFAOYSA-N -1 2 322.367 2.728 50 0 DFAALM O=C([O-])[C@](O)(c1cc(Cl)c(O)c(Cl)c1)C(F)(F)F ZINC000003619065 181042370 /nfs/dbraw/zinc/04/23/70/181042370.db2.gz LCPXMAUXGJHWPZ-MRVPVSSYSA-N -1 2 305.035 2.534 50 0 DFAALM Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])s1 ZINC000021013194 182260055 /nfs/dbraw/zinc/26/00/55/182260055.db2.gz DTQGSGPMHGEZGD-UHFFFAOYSA-N -1 2 315.347 2.695 50 0 DFAALM Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])s1 ZINC000021034578 182261907 /nfs/dbraw/zinc/26/19/07/182261907.db2.gz ZKSADECETBGYEI-UHFFFAOYSA-N -1 2 311.384 2.864 50 0 DFAALM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)s1 ZINC000059880791 184141943 /nfs/dbraw/zinc/14/19/43/184141943.db2.gz MNTVNAJAIKTULU-UHFFFAOYSA-N -1 2 311.384 2.864 50 0 DFAALM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000003204806 425612004 /nfs/dbraw/zinc/61/20/04/425612004.db2.gz IPYXNQFKHRDMCT-UHFFFAOYSA-N -1 2 317.775 2.901 50 0 DFAALM Cc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000007230440 425639430 /nfs/dbraw/zinc/63/94/30/425639430.db2.gz FGVLYBXUWOBUNL-UHFFFAOYSA-N -1 2 309.318 2.633 50 0 DFAALM CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC000048440697 425875577 /nfs/dbraw/zinc/87/55/77/425875577.db2.gz FBDZDHOQUAYIRB-UHFFFAOYSA-N -1 2 311.384 2.810 50 0 DFAALM CCc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)s1 ZINC000048440694 425875681 /nfs/dbraw/zinc/87/56/81/425875681.db2.gz NWIWMCWYPCDHQT-UHFFFAOYSA-N -1 2 311.384 2.810 50 0 DFAALM O=C([O-])CCn1c(=O)c2sc3ccccc3c2[nH]c1=S ZINC000000424668 398345803 /nfs/dbraw/zinc/34/58/03/398345803.db2.gz KHXFDQMMMJNIMX-UHFFFAOYSA-N -1 2 306.368 2.748 50 0 DFAALM O=C([O-])/C=C/c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000000440825 425562066 /nfs/dbraw/zinc/56/20/66/425562066.db2.gz YEDJYLSAYFEXFD-VOTSOKGWSA-N -1 2 309.368 2.647 50 0 DFAALM O=C([O-])c1csc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000008725736 425674725 /nfs/dbraw/zinc/67/47/25/425674725.db2.gz KDLDNWOTCJDSEP-UHFFFAOYSA-N -1 2 323.395 2.736 50 0 DFAALM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000044750172 425857984 /nfs/dbraw/zinc/85/79/84/425857984.db2.gz QQFOVKRZBOQMEZ-UHFFFAOYSA-N -1 2 311.384 2.864 50 0 DFAALM Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)sc1C(=O)[O-] ZINC000037225789 425847353 /nfs/dbraw/zinc/84/73/53/425847353.db2.gz QQKKDGBMAHBVSP-UHFFFAOYSA-N -1 2 315.347 2.695 50 0 DFAALM O=C([O-])CCn1c(=O)c2oc3ccc(Cl)cc3c2[nH]c1=S ZINC000101411163 304065132 /nfs/dbraw/zinc/06/51/32/304065132.db2.gz CVUCCNOINMFTLJ-UHFFFAOYSA-N -1 2 324.745 2.560 50 0 DFAALM Cc1ccc(NS(=O)(=O)c2cc(C)ccc2F)c(C(=O)[O-])c1 ZINC000058355006 184107782 /nfs/dbraw/zinc/10/77/82/184107782.db2.gz YWGPYMQJERRHJX-UHFFFAOYSA-N -1 2 323.345 2.942 50 0 DFAALM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1 ZINC000013300049 425751458 /nfs/dbraw/zinc/75/14/58/425751458.db2.gz XXRUGNORSGQOLG-UHFFFAOYSA-N -1 2 319.310 2.525 50 0 DFAALM Cc1cc(S(=O)(=O)Nc2ccc(C)cc2)sc1C(=O)[O-] ZINC000037225791 425847291 /nfs/dbraw/zinc/84/72/91/425847291.db2.gz ZPFBBRHEKMOXRM-UHFFFAOYSA-N -1 2 311.384 2.864 50 0 DFAALM O=C([O-])CCc1cc(Br)c(O)c(Br)c1 ZINC000000165717 304064037 /nfs/dbraw/zinc/06/40/37/304064037.db2.gz RYXMOITYFVDWIR-UHFFFAOYSA-N -1 2 323.968 2.934 50 0 DFAALM Cc1c(C(=O)[O-])sc2[nH]c(=S)n(Cc3ccco3)c(=O)c12 ZINC000017055998 182073396 /nfs/dbraw/zinc/07/33/96/182073396.db2.gz SXKKLUQJQWHKAB-UHFFFAOYSA-N -1 2 322.367 2.769 50 0 DFAALM N#Cc1cc(C(=O)[O-])c(=O)[nH]c1SCc1ccccc1Cl ZINC000000349969 425554319 /nfs/dbraw/zinc/55/43/19/425554319.db2.gz FZRPNRZMGDRASQ-UHFFFAOYSA-N -1 2 320.757 2.890 50 0 DFAALM CCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013300422 425752158 /nfs/dbraw/zinc/75/21/58/425752158.db2.gz YRMWNKFPKJPNNT-UHFFFAOYSA-N -1 2 311.384 2.810 50 0 DFAALM O=C([O-])[C@@H]1CCCN1Cc1cc(Br)ccc1F ZINC000003747976 181044653 /nfs/dbraw/zinc/04/46/53/181044653.db2.gz ZOETVCLCQKHFHO-NSHDSACASA-N -1 2 302.143 2.637 50 0 DFAALM Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000015243526 181992787 /nfs/dbraw/zinc/99/27/87/181992787.db2.gz PIXUBQRYUTZMEM-UHFFFAOYSA-N -1 2 311.384 2.864 50 0 DFAALM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC000008718237 425674545 /nfs/dbraw/zinc/67/45/45/425674545.db2.gz JHJBROMILZIZIT-UHFFFAOYSA-N -1 2 311.384 2.864 50 0 DFAALM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000013299957 425752047 /nfs/dbraw/zinc/75/20/47/425752047.db2.gz LJKLPXBFLFMYMJ-UHFFFAOYSA-N -1 2 317.775 2.901 50 0 DFAALM CCc1nc2c3ccccc3oc2c(NN2CCN(C)CC2)[nH+]1 ZINC000005195040 425623485 /nfs/dbraw/zinc/62/34/85/425623485.db2.gz CAJCGMFZHKRAOV-UHFFFAOYSA-N -1 2 311.389 2.513 50 0 DFAALM Cc1cc(S(=O)(=O)Nc2cccc(C)c2)sc1C(=O)[O-] ZINC000037225785 425847471 /nfs/dbraw/zinc/84/74/71/425847471.db2.gz ZZDWQIRHZDPLFN-UHFFFAOYSA-N -1 2 311.384 2.864 50 0 DFAALM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000023744291 182367380 /nfs/dbraw/zinc/36/73/80/182367380.db2.gz CGPQFNBEBSWYTD-UHFFFAOYSA-N -1 2 317.775 2.901 50 0 DFAALM Cc1cc(C)c(NS(=O)(=O)c2cccs2)c(C(=O)[O-])c1 ZINC000060360625 184146886 /nfs/dbraw/zinc/14/68/86/184146886.db2.gz MOADGNWTARRVIN-UHFFFAOYSA-N -1 2 311.384 2.864 50 0 DFAALM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1F ZINC000007057347 425634863 /nfs/dbraw/zinc/63/48/63/425634863.db2.gz GAIHBHBTWOPWJH-UHFFFAOYSA-N -1 2 309.318 2.633 50 0 DFAALM CCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000013300070 425751742 /nfs/dbraw/zinc/75/17/42/425751742.db2.gz JJPWZHMQJPOZQM-UHFFFAOYSA-N -1 2 311.384 2.810 50 0 DFAALM CCOc1cc(Br)c(CC(=O)[O-])cc1OCC ZINC000003750801 181044811 /nfs/dbraw/zinc/04/48/11/181044811.db2.gz QPJDHWGJKWKCNZ-UHFFFAOYSA-N -1 2 303.152 2.874 50 0 DFAALM Cc1ccc(NS(=O)(=O)c2ccccc2F)c(C(=O)[O-])c1 ZINC000021519213 182277970 /nfs/dbraw/zinc/27/79/70/182277970.db2.gz APMKTLRHGQTPMR-UHFFFAOYSA-N -1 2 309.318 2.633 50 0 DFAALM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C ZINC000015243150 425779446 /nfs/dbraw/zinc/77/94/46/425779446.db2.gz UHSZCKHSWFCGSG-UHFFFAOYSA-N -1 2 311.384 2.864 50 0 DFAALM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C)c1 ZINC000015243146 425780175 /nfs/dbraw/zinc/78/01/75/425780175.db2.gz IJJUQEMABMHDQQ-UHFFFAOYSA-N -1 2 311.384 2.864 50 0 DFAALM O=C([O-])COc1ccccc1C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000216248102 426558736 /nfs/dbraw/zinc/55/87/36/426558736.db2.gz BCDJKILMRSIPFD-CYBMUJFWSA-N -1 2 318.398 2.944 50 0 DFAALM O=C([O-])c1csc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000015243178 425779516 /nfs/dbraw/zinc/77/95/16/425779516.db2.gz VZKRAJWHGSDOCE-UHFFFAOYSA-N -1 2 317.775 2.901 50 0 DFAALM Cc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013300828 425751691 /nfs/dbraw/zinc/75/16/91/425751691.db2.gz IZUBMZTWKOTCEB-UHFFFAOYSA-N -1 2 315.347 2.695 50 0 DFAALM CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)c1c(O)cccc1F ZINC000215059796 426550076 /nfs/dbraw/zinc/55/00/76/426550076.db2.gz QBTMLPSFIGSAIQ-UHFFFAOYSA-N -1 2 314.360 2.749 50 0 DFAALM O=C([O-])Cc1ccc(Nc2nnc(-c3ccccc3)c(=O)[nH]2)cc1 ZINC000016675947 182057306 /nfs/dbraw/zinc/05/73/06/182057306.db2.gz JVKSMWDJIVEJQI-UHFFFAOYSA-N -1 2 322.324 2.615 50 0 DFAALM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000003201176 425611579 /nfs/dbraw/zinc/61/15/79/425611579.db2.gz WVBRKQMHYJPLHK-UHFFFAOYSA-N -1 2 317.775 2.901 50 0 DFAALM Cc1c(NS(=O)(=O)c2ccccc2F)cccc1C(=O)[O-] ZINC000038106390 425850777 /nfs/dbraw/zinc/85/07/77/425850777.db2.gz WIWBPCWCFAIOCP-UHFFFAOYSA-N -1 2 309.318 2.633 50 0 DFAALM O=C([O-])c1cccc(O[C@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000013419238 181848684 /nfs/dbraw/zinc/84/86/84/181848684.db2.gz WAZPCTXUNCRYCN-INIZCTEOSA-N -1 2 311.337 2.784 50 0 DFAALM O=C([O-])[C@@](O)(c1cc(Cl)c(O)c(Cl)c1)C(F)(F)F ZINC000003619067 181042035 /nfs/dbraw/zinc/04/20/35/181042035.db2.gz LCPXMAUXGJHWPZ-QMMMGPOBSA-N -1 2 305.035 2.534 50 0 DFAALM COc1ccc(Br)cc1CN1CCC[C@H]1C(=O)[O-] ZINC000003747809 181044682 /nfs/dbraw/zinc/04/46/82/181044682.db2.gz QMJZHSBGUYVJOZ-NSHDSACASA-N -1 2 314.179 2.507 50 0 DFAALM O=C([O-])c1ccc(NS(=O)(=O)c2cccs2)cc1Cl ZINC000048567802 425876190 /nfs/dbraw/zinc/87/61/90/425876190.db2.gz YMDDQPMIUGFFKX-UHFFFAOYSA-N -1 2 317.775 2.901 50 0 DFAALM COc1ccc(-c2c(C(=O)[O-])c(C)[nH+]c(C)c2C(=O)[O-])cc1 ZINC000019203175 295045552 /nfs/dbraw/zinc/04/55/52/295045552.db2.gz NVGXQNBATWIBIP-UHFFFAOYSA-N -1 2 301.298 2.770 50 0 DFAALM Cc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000015243832 425779437 /nfs/dbraw/zinc/77/94/37/425779437.db2.gz JZGXBDJDRXIRMK-UHFFFAOYSA-N -1 2 311.384 2.864 50 0 DFAALM