smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(N2CCNCC2)cc1-n1ccnc1 ZINC000020436144 285126366 /nfs/dbraw/zinc/12/63/66/285126366.db2.gz CCMPTXINMXLAHM-UHFFFAOYSA-N 0 3 273.296 1.190 40 5 CDBBHN CN1CCC(O)(CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000077230833 177236932 /nfs/dbraw/zinc/23/69/32/177236932.db2.gz WUOWNUGICIRRPT-UHFFFAOYSA-N 0 3 283.303 1.603 40 5 CDBBHN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCNCC1 ZINC000067799735 374430923 /nfs/dbraw/zinc/43/09/23/374430923.db2.gz RNEDOZFMJQGDQP-UHFFFAOYSA-N 0 3 283.715 1.684 40 5 CDBBHN COC(=O)[C@@H]1CN(C)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000252515354 391909402 /nfs/dbraw/zinc/90/94/02/391909402.db2.gz IWSRWSNGUTXQKM-NWDGAFQWSA-N 0 3 264.281 1.413 40 5 CDBBHN O=[N+]([O-])c1ccc(CNCCCN2CCOCC2)cc1 ZINC000008728606 296504067 /nfs/dbraw/zinc/50/40/67/296504067.db2.gz GQRGQGYZDIBGHB-UHFFFAOYSA-N 0 3 279.340 1.407 40 5 CDBBHN CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)N ZINC000079420923 358213127 /nfs/dbraw/zinc/21/31/27/358213127.db2.gz RCFZGVUKHADZOL-VIFPVBQESA-N 0 3 251.286 1.291 40 5 CDBBHN CC(C)[C@H](N)C(=O)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000037810933 373400092 /nfs/dbraw/zinc/40/00/92/373400092.db2.gz SMRVEJMVFUVZOC-LBPRGKRZSA-N 0 3 265.313 1.537 40 5 CDBBHN COC(=O)[C@@H]1CN(C)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000217669758 375699369 /nfs/dbraw/zinc/69/93/69/375699369.db2.gz IWSRWSNGUTXQKM-VXGBXAGGSA-N 0 3 264.281 1.413 40 5 CDBBHN N=C(Nc1ncccc1[N+](=O)[O-])N1CCC[C@H](CO)C1 ZINC000253574332 412996452 /nfs/dbraw/zinc/99/64/52/412996452.db2.gz SLVIIRJEMSMGFM-VIFPVBQESA-N 0 3 279.300 1.041 40 5 CDBBHN O=[N+]([O-])c1cnc(N2CCC[C@H]2CN2CCCCC2)nc1 ZINC000160454458 275040812 /nfs/dbraw/zinc/04/08/12/275040812.db2.gz UOVVKOQAEOXAEC-LBPRGKRZSA-N 0 3 291.355 1.840 40 5 CDBBHN Nc1ccc(CO[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000005580523 170115757 /nfs/dbraw/zinc/11/57/57/170115757.db2.gz KTWJSOPCHUCXRY-CQSZACIVSA-N 0 3 295.339 1.498 40 5 CDBBHN Cc1c(C(=O)NC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000047829181 357165253 /nfs/dbraw/zinc/16/52/53/357165253.db2.gz WZZCAFAITKDSPQ-UHFFFAOYSA-N 0 3 277.324 1.727 40 5 CDBBHN CN1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000038957335 174160415 /nfs/dbraw/zinc/16/04/15/174160415.db2.gz DSXOAUWLUWNYKL-QPJJXVBHSA-N 0 3 289.335 1.818 40 5 CDBBHN CN1CCC(Nc2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC000094261279 277031829 /nfs/dbraw/zinc/03/18/29/277031829.db2.gz PPVNHWWMKVFHCQ-UHFFFAOYSA-N 0 3 251.290 1.078 40 5 CDBBHN CC([N+](=O)[O-])[C@]1(O)C(=O)c2cccc3cccc1c23 ZINC000001723085 370835335 /nfs/dbraw/zinc/83/53/35/370835335.db2.gz MVCYOXRLSBOWQE-RMLUDKJBSA-N 0 3 257.245 1.889 40 5 CDBBHN COC[C@H](CN(C)C)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006437111 170201521 /nfs/dbraw/zinc/20/15/21/170201521.db2.gz WPTOCXBUQNGTGD-LBPRGKRZSA-N 0 3 282.296 1.328 40 5 CDBBHN CC(C)[C@@H]([NH3+])c1nnc(COc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000095534775 256745440 /nfs/dbraw/zinc/74/54/40/256745440.db2.gz FLYVGLRWAQREQR-GFCCVEGCSA-N 0 3 291.311 1.948 40 5 CDBBHN CC(C)[C@@H]([NH3+])c1nc(COc2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000095534775 256745443 /nfs/dbraw/zinc/74/54/43/256745443.db2.gz FLYVGLRWAQREQR-GFCCVEGCSA-N 0 3 291.311 1.948 40 5 CDBBHN CC([C@H](c1ccccc1)N1CCOCC1)[N+](=O)[O-] ZINC000039379293 290210368 /nfs/dbraw/zinc/21/03/68/290210368.db2.gz DZORMAWKUNFJHG-DGCLKSJQSA-N 0 3 250.298 1.725 40 5 CDBBHN CN1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000047829188 357165579 /nfs/dbraw/zinc/16/55/79/357165579.db2.gz GDDHCXOZZBGGKK-UHFFFAOYSA-N 0 3 277.324 1.348 40 5 CDBBHN CC([C@H](c1ccccc1)N1CCOCC1)[N+](=O)[O-] ZINC000039379292 287128204 /nfs/dbraw/zinc/12/82/04/287128204.db2.gz DZORMAWKUNFJHG-WCQYABFASA-N 0 3 250.298 1.725 40 5 CDBBHN COC(=O)[C@H]1CN(C)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000252515355 391909256 /nfs/dbraw/zinc/90/92/56/391909256.db2.gz IWSRWSNGUTXQKM-RYUDHWBXSA-N 0 3 264.281 1.413 40 5 CDBBHN O=C1CCC([N+](=O)[O-])[C@H](c2ccc3c(c2)CCO3)N1 ZINC000013992149 358820914 /nfs/dbraw/zinc/82/09/14/358820914.db2.gz OTVKACUPKNTJMQ-MFKMUULPSA-N 0 3 262.265 1.218 40 5 CDBBHN COc1cc(N2CCN[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000091356017 274096482 /nfs/dbraw/zinc/09/64/82/274096482.db2.gz DJKFKHDMPIGVCK-VIFPVBQESA-N 0 3 251.286 1.402 40 5 CDBBHN CN1CCC(O)(CNc2ccccc2[N+](=O)[O-])CC1 ZINC000077230891 177236753 /nfs/dbraw/zinc/23/67/53/177236753.db2.gz ZLYJANPFEMLHBS-UHFFFAOYSA-N 0 3 265.313 1.463 40 5 CDBBHN CN(C)CCNC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000013632535 357214775 /nfs/dbraw/zinc/21/47/75/357214775.db2.gz MXHXBVWDXZYREF-UHFFFAOYSA-N 0 3 297.380 1.506 40 5 CDBBHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H](O)C2)cc1 ZINC000001717741 370788730 /nfs/dbraw/zinc/78/87/30/370788730.db2.gz OQPRWCQYEWZSPX-CYBMUJFWSA-N 0 3 250.298 1.594 40 5 CDBBHN CCC(=O)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 ZINC000020154194 392736936 /nfs/dbraw/zinc/73/69/36/392736936.db2.gz CGYFIIHQIRIJME-UHFFFAOYSA-N 0 3 278.312 1.353 40 5 CDBBHN O=C1CCC([N+](=O)[O-])[C@H](c2ccc3c(c2)CCO3)N1 ZINC000013992152 358820863 /nfs/dbraw/zinc/82/08/63/358820863.db2.gz OTVKACUPKNTJMQ-GWCFXTLKSA-N 0 3 262.265 1.218 40 5 CDBBHN COC[C@@H](CN(C)C)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001577304 369351873 /nfs/dbraw/zinc/35/18/73/369351873.db2.gz WPTOCXBUQNGTGD-GFCCVEGCSA-N 0 3 282.296 1.328 40 5 CDBBHN CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](N)C(C)C ZINC000079421016 374405267 /nfs/dbraw/zinc/40/52/67/374405267.db2.gz HOBBLWIDLWOIOA-ZDUSSCGKSA-N 0 3 279.340 1.927 40 5 CDBBHN COc1cc(N2CCN[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000091356015 274096694 /nfs/dbraw/zinc/09/66/94/274096694.db2.gz DJKFKHDMPIGVCK-SECBINFHSA-N 0 3 251.286 1.402 40 5 CDBBHN COc1cc(N2CCNC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000091356013 277826349 /nfs/dbraw/zinc/82/63/49/277826349.db2.gz KDXPBEPJFGKOLA-VIFPVBQESA-N 0 3 251.286 1.402 40 5 CDBBHN O=C1CCC([N+](=O)[O-])[C@@H](c2c[nH]c3ccccc32)N1 ZINC000001767153 296325977 /nfs/dbraw/zinc/32/59/77/296325977.db2.gz DXLCPMHCXGLSGL-DGCLKSJQSA-N 0 3 259.265 1.764 40 5 CDBBHN N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCC[C@H](CO)C1 ZINC000253576046 334439184 /nfs/dbraw/zinc/43/91/84/334439184.db2.gz VITRRSJRKUMNET-VIFPVBQESA-N 0 3 279.300 1.041 40 5 CDBBHN COc1ccc(F)c([C@H]2NC(=O)CCC2[N+](=O)[O-])c1 ZINC000013992170 366505673 /nfs/dbraw/zinc/50/56/73/366505673.db2.gz NYRKYDQLOLYPTG-CMPLNLGQSA-N 0 3 268.244 1.431 40 5 CDBBHN CC([C@@H](c1ccccc1)N1CCOCC1)[N+](=O)[O-] ZINC000039379290 296215048 /nfs/dbraw/zinc/21/50/48/296215048.db2.gz DZORMAWKUNFJHG-AAEUAGOBSA-N 0 3 250.298 1.725 40 5 CDBBHN O=C1CCC([N+](=O)[O-])[C@@H](c2c[nH]c3ccccc32)N1 ZINC000001767149 363033029 /nfs/dbraw/zinc/03/30/29/363033029.db2.gz DXLCPMHCXGLSGL-WCQYABFASA-N 0 3 259.265 1.764 40 5 CDBBHN Cc1c(CC(=O)N2CCCN(C)CC2)cccc1[N+](=O)[O-] ZINC000159183045 237146898 /nfs/dbraw/zinc/14/68/98/237146898.db2.gz OVEIWVFRRSWNIF-UHFFFAOYSA-N 0 3 291.351 1.610 40 5 CDBBHN CC(C)[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668459 369783335 /nfs/dbraw/zinc/78/33/35/369783335.db2.gz KRDOWGYUBNAGFF-NSHDSACASA-N 0 3 251.286 1.194 40 5 CDBBHN O=C1CCC([N+](=O)[O-])[C@H](c2c[nH]c3ccccc32)N1 ZINC000001767147 296330573 /nfs/dbraw/zinc/33/05/73/296330573.db2.gz DXLCPMHCXGLSGL-AAEUAGOBSA-N 0 3 259.265 1.764 40 5 CDBBHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C)C1 ZINC000216908408 375506563 /nfs/dbraw/zinc/50/65/63/375506563.db2.gz GFIHNPHYBKEKBI-JTQLQIEISA-N 0 3 293.323 1.884 40 5 CDBBHN CN1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000174357797 379461136 /nfs/dbraw/zinc/46/11/36/379461136.db2.gz SCRFJYDJLDSBFD-UHFFFAOYSA-N 0 3 263.297 1.875 40 5 CDBBHN CN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000005509024 170105939 /nfs/dbraw/zinc/10/59/39/170105939.db2.gz AZIJIMXKDWHKKO-UHFFFAOYSA-N 0 3 271.704 1.540 40 5 CDBBHN CN1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000216782570 375476333 /nfs/dbraw/zinc/47/63/33/375476333.db2.gz YCDQPHNNYBJLEN-SNVBAGLBSA-N 0 3 263.297 1.875 40 5 CDBBHN COC(=O)[C@H]1CN(C)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000252516214 391909228 /nfs/dbraw/zinc/90/92/28/391909228.db2.gz QNTOCBMKRBNBKQ-RYUDHWBXSA-N 0 3 264.281 1.413 40 5 CDBBHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CN ZINC000079420854 374405021 /nfs/dbraw/zinc/40/50/21/374405021.db2.gz GSBIEVIHEOJTPM-UHFFFAOYSA-N 0 3 251.286 1.291 40 5 CDBBHN COc1cc(N2CCNC[C@H]2C)ccc1[N+](=O)[O-] ZINC000091356011 277826358 /nfs/dbraw/zinc/82/63/58/277826358.db2.gz KDXPBEPJFGKOLA-SECBINFHSA-N 0 3 251.286 1.402 40 5 CDBBHN Cc1cc(NC(=O)N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000153853034 188108234 /nfs/dbraw/zinc/10/82/34/188108234.db2.gz XDUPLHFMXYFRLT-UHFFFAOYSA-N 0 3 280.328 1.929 40 5 CDBBHN CN1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000216782620 375476521 /nfs/dbraw/zinc/47/65/21/375476521.db2.gz YCDQPHNNYBJLEN-JTQLQIEISA-N 0 3 263.297 1.875 40 5 CDBBHN O=[N+]([O-])c1cccc(CNCCN2CCOCC2)c1 ZINC000016399848 230371566 /nfs/dbraw/zinc/37/15/66/230371566.db2.gz YDHYFHGSWVBLTJ-UHFFFAOYSA-N 0 3 265.313 1.017 40 5 CDBBHN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCCNCC1 ZINC000035099104 275011211 /nfs/dbraw/zinc/01/12/11/275011211.db2.gz AOHBKJMNWNIZLB-UHFFFAOYSA-N 0 3 283.715 1.684 40 5 CDBBHN CCN(CCO)CCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001718689 370786633 /nfs/dbraw/zinc/78/66/33/370786633.db2.gz VDBGYHFTBJIYIR-UHFFFAOYSA-N 0 3 266.297 1.482 40 5 CDBBHN O=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2[N+](=O)[O-] ZINC000035682713 374041748 /nfs/dbraw/zinc/04/17/48/374041748.db2.gz BDKYRKLKQLSJOI-SNVBAGLBSA-N 0 3 279.296 1.306 40 5 CDBBHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)N ZINC000079420950 374405223 /nfs/dbraw/zinc/40/52/23/374405223.db2.gz BNQPIZYSSXVRFY-JTQLQIEISA-N 0 3 265.313 1.679 40 5 CDBBHN NC[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)N=C2C=CC=CN21 ZINC000095889594 393154321 /nfs/dbraw/zinc/15/43/21/393154321.db2.gz INXFFMUJPKGIFB-GXTWGEPZSA-N 0 3 270.292 1.761 40 5 CDBBHN CC(C)[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943179 375710698 /nfs/dbraw/zinc/71/06/98/375710698.db2.gz DYSWVMBOSSQWJC-NSHDSACASA-N 0 3 251.286 1.194 40 5 CDBBHN CC(C)[C@H]([NH3+])c1nnc(COc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000095534774 390612154 /nfs/dbraw/zinc/61/21/54/390612154.db2.gz FLYVGLRWAQREQR-LBPRGKRZSA-N 0 3 291.311 1.948 40 5 CDBBHN CC(C)[C@H]([NH3+])c1nc(COc2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000095534774 390612159 /nfs/dbraw/zinc/61/21/59/390612159.db2.gz FLYVGLRWAQREQR-LBPRGKRZSA-N 0 3 291.311 1.948 40 5 CDBBHN CC(C)[C@H](N)c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000095534772 185008544 /nfs/dbraw/zinc/00/85/44/185008544.db2.gz HFMPIUWPCCFICY-LBPRGKRZSA-N 0 3 275.312 1.960 40 5 CDBBHN CC(C)[C@H](N)c1nnc(Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000095534772 185008546 /nfs/dbraw/zinc/00/85/46/185008546.db2.gz HFMPIUWPCCFICY-LBPRGKRZSA-N 0 3 275.312 1.960 40 5 CDBBHN O=C1CCC([N+](=O)[O-])[C@H](c2c[nH]c3ccccc32)N1 ZINC000001767151 296326379 /nfs/dbraw/zinc/32/63/79/296326379.db2.gz DXLCPMHCXGLSGL-YPMHNXCESA-N 0 3 259.265 1.764 40 5 CDBBHN O=[N+]([O-])c1ccc(CNCCN2CCOCC2)cc1 ZINC000016401565 285114494 /nfs/dbraw/zinc/11/44/94/285114494.db2.gz SJSINZCRZJDBOQ-UHFFFAOYSA-N 0 3 265.313 1.017 40 5 CDBBHN C[C@H](N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000079420972 374405650 /nfs/dbraw/zinc/40/56/50/374405650.db2.gz YLFFAFXWQSIQDR-VIFPVBQESA-N 0 3 263.297 1.433 40 5 CDBBHN COC(=O)[C@H]1CN(C)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000217669856 375699483 /nfs/dbraw/zinc/69/94/83/375699483.db2.gz IWSRWSNGUTXQKM-NEPJUHHUSA-N 0 3 264.281 1.413 40 5 CDBBHN COc1ccc(F)c([C@@H]2NC(=O)CCC2[N+](=O)[O-])c1 ZINC000013992167 358821145 /nfs/dbraw/zinc/82/11/45/358821145.db2.gz NYRKYDQLOLYPTG-JQWIXIFHSA-N 0 3 268.244 1.431 40 5 CDBBHN O=C1CCC([N+](=O)[O-])[C@@H](c2ccc3c(c2)CCO3)N1 ZINC000013992144 358820789 /nfs/dbraw/zinc/82/07/89/358820789.db2.gz OTVKACUPKNTJMQ-ZWNOBZJWSA-N 0 3 262.265 1.218 40 5 CDBBHN CCCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCNCC1 ZINC000070461619 374662077 /nfs/dbraw/zinc/66/20/77/374662077.db2.gz WWGSNUPSNSBSFZ-UHFFFAOYSA-N 0 3 293.323 1.571 40 5 CDBBHN CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCNCC1 ZINC000070461618 374662483 /nfs/dbraw/zinc/66/24/83/374662483.db2.gz AORARMKOMAPVOA-UHFFFAOYSA-N 0 3 279.296 1.181 40 5 CDBBHN CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](N)C(C)C ZINC000079421020 177487982 /nfs/dbraw/zinc/48/79/82/177487982.db2.gz GCXSEUSAJIXIDP-ZDUSSCGKSA-N 0 3 279.340 1.927 40 5 CDBBHN O=[N+]([O-])c1cccc(CNCCCN2CCOCC2)c1 ZINC000008728609 170350169 /nfs/dbraw/zinc/35/01/69/170350169.db2.gz NOFNZRAHRXIFJB-UHFFFAOYSA-N 0 3 279.340 1.407 40 5 CDBBHN N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCC[C@@H](CO)C1 ZINC000225238090 373761745 /nfs/dbraw/zinc/76/17/45/373761745.db2.gz VITRRSJRKUMNET-SECBINFHSA-N 0 3 279.300 1.041 40 5 CDBBHN CN1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000101986284 358867050 /nfs/dbraw/zinc/86/70/50/358867050.db2.gz DKAHWYVKZRDCQL-AATRIKPKSA-N 0 3 289.335 1.818 40 5 CDBBHN CN(C)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000003069576 375527836 /nfs/dbraw/zinc/52/78/36/375527836.db2.gz MAKANEYAGOZLAG-VOTSOKGWSA-N 0 3 263.297 1.286 40 5 CDBBHN COc1cc(CCN(C)C)c([N+](=O)[O-])cc1OC ZINC000001563575 355940168 /nfs/dbraw/zinc/94/01/68/355940168.db2.gz AGJIISHBPPNMSE-UHFFFAOYSA-N 0 3 254.286 1.716 40 5 CDBBHN O=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2[N+](=O)[O-] ZINC000035682714 374041384 /nfs/dbraw/zinc/04/13/84/374041384.db2.gz BDKYRKLKQLSJOI-JTQLQIEISA-N 0 3 279.296 1.306 40 5 CDBBHN N=C(Nc1ncccc1[N+](=O)[O-])N1CCC[C@@H](CO)C1 ZINC000225244907 359564665 /nfs/dbraw/zinc/56/46/65/359564665.db2.gz SLVIIRJEMSMGFM-SECBINFHSA-N 0 3 279.300 1.041 40 5 CDBBHN CC(C)[C@@H](N)c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000095534773 185007798 /nfs/dbraw/zinc/00/77/98/185007798.db2.gz HFMPIUWPCCFICY-GFCCVEGCSA-N 0 3 275.312 1.960 40 5 CDBBHN CC(C)[C@@H](N)c1nnc(Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000095534773 185007800 /nfs/dbraw/zinc/00/78/00/185007800.db2.gz HFMPIUWPCCFICY-GFCCVEGCSA-N 0 3 275.312 1.960 40 5 CDBBHN CC([C@@H](c1ccccc1)N1CCOCC1)[N+](=O)[O-] ZINC000039379291 377492320 /nfs/dbraw/zinc/49/23/20/377492320.db2.gz DZORMAWKUNFJHG-YPMHNXCESA-N 0 3 250.298 1.725 40 5 CDBBHN 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