smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C(=O)NC2C[NH+](C[C@H](C)O)C2)cc(OC)n1 ZINC001030612491 799350120 /nfs/dbraw/zinc/35/01/20/799350120.db2.gz PJZZJYSOJBRUFD-VIFPVBQESA-N 1 2 295.339 -0.106 20 10 CBCDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 ZINC001148586505 814950421 /nfs/dbraw/zinc/95/04/21/814950421.db2.gz QGQKUBBLZPPRRT-SECBINFHSA-N 1 2 282.296 -0.136 20 10 CBCDLO C[N@H+]1CCO[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 ZINC001148586505 814950422 /nfs/dbraw/zinc/95/04/22/814950422.db2.gz QGQKUBBLZPPRRT-SECBINFHSA-N 1 2 282.296 -0.136 20 10 CBCDLO O=C(C[N@H+]1CC[C@H](O)C1)NCC(=O)c1ccc(O)c(O)c1 ZINC001186054490 821161088 /nfs/dbraw/zinc/16/10/88/821161088.db2.gz FDUKSYBAXGWVTQ-JTQLQIEISA-N 1 2 294.307 -0.537 20 10 CBCDLO O=C(C[N@@H+]1CC[C@H](O)C1)NCC(=O)c1ccc(O)c(O)c1 ZINC001186054490 821161099 /nfs/dbraw/zinc/16/10/99/821161099.db2.gz FDUKSYBAXGWVTQ-JTQLQIEISA-N 1 2 294.307 -0.537 20 10 CBCDLO COC(=O)[C@@H]([NH3+])CC(=O)NCCc1cc(O)c(O)cc1O ZINC001220115763 824959015 /nfs/dbraw/zinc/95/90/15/824959015.db2.gz SIZHKYWPERNKPZ-QMMMGPOBSA-N 1 2 298.295 -0.648 20 10 CBCDLO NC(=O)[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCO1 ZINC001233486437 825424388 /nfs/dbraw/zinc/42/43/88/825424388.db2.gz NBXXGSDXMKERCS-NSHDSACASA-N 1 2 268.269 -0.511 20 10 CBCDLO NC(=O)[C@@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCO1 ZINC001233486437 825424393 /nfs/dbraw/zinc/42/43/93/825424393.db2.gz NBXXGSDXMKERCS-NSHDSACASA-N 1 2 268.269 -0.511 20 10 CBCDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@H](O)Cc1ccc(O)c(O)c1 ZINC001272972855 827855684 /nfs/dbraw/zinc/85/56/84/827855684.db2.gz ZLEWNOVKSAPHEG-UHIISALHSA-N 1 2 292.335 -0.084 20 10 CBCDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@H](O)Cc1ccc(O)c(O)c1 ZINC001272972855 827855696 /nfs/dbraw/zinc/85/56/96/827855696.db2.gz ZLEWNOVKSAPHEG-UHIISALHSA-N 1 2 292.335 -0.084 20 10 CBCDLO COc1c(O)c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000278393859 521873509 /nfs/dbraw/zinc/87/35/09/521873509.db2.gz NCKCBCXANFZULP-AOOOYVTPSA-N 1 2 284.268 -0.154 20 10 CBCDLO COc1c(O)c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000278393859 521873535 /nfs/dbraw/zinc/87/35/35/521873535.db2.gz NCKCBCXANFZULP-AOOOYVTPSA-N 1 2 284.268 -0.154 20 10 CBCDLO Cc1cccc(C[N@@H+]2CCN(CC(N)=O)C(=O)C2)c1O ZINC000839169901 583154652 /nfs/dbraw/zinc/15/46/52/583154652.db2.gz KTGCDNLCYUKKMO-UHFFFAOYSA-N 1 2 277.324 -0.170 20 10 CBCDLO Cc1cccc(C[N@H+]2CCN(CC(N)=O)C(=O)C2)c1O ZINC000839169901 583154653 /nfs/dbraw/zinc/15/46/53/583154653.db2.gz KTGCDNLCYUKKMO-UHFFFAOYSA-N 1 2 277.324 -0.170 20 10 CBCDLO CN(C)c1ccc(C[N@@H+]2CCN(CC(N)=O)C(=O)C2)cc1 ZINC000839168580 583154666 /nfs/dbraw/zinc/15/46/66/583154666.db2.gz DGLHCPHQAFGDOU-UHFFFAOYSA-N 1 2 290.367 -0.118 20 10 CBCDLO CN(C)c1ccc(C[N@H+]2CCN(CC(N)=O)C(=O)C2)cc1 ZINC000839168580 583154669 /nfs/dbraw/zinc/15/46/69/583154669.db2.gz DGLHCPHQAFGDOU-UHFFFAOYSA-N 1 2 290.367 -0.118 20 10 CBCDLO Cc1ccc(C[N@@H+]2CCN(CC(N)=O)C(=O)C2)c(O)c1 ZINC000877583414 584183333 /nfs/dbraw/zinc/18/33/33/584183333.db2.gz QPSKXJHGXGUHHC-UHFFFAOYSA-N 1 2 277.324 -0.170 20 10 CBCDLO Cc1ccc(C[N@H+]2CCN(CC(N)=O)C(=O)C2)c(O)c1 ZINC000877583414 584183335 /nfs/dbraw/zinc/18/33/35/584183335.db2.gz QPSKXJHGXGUHHC-UHFFFAOYSA-N 1 2 277.324 -0.170 20 10 CBCDLO COc1cccc(O)c1C[NH+]1CC2(C1)NC(=O)NC2=O ZINC000897907390 584727072 /nfs/dbraw/zinc/72/70/72/584727072.db2.gz ZRMQTDITFKESED-UHFFFAOYSA-N 1 2 277.280 -0.205 20 10 CBCDLO COc1cc(C(=O)NC2C[NH+](C[C@@H](C)O)C2)cc(OC)n1 ZINC001030612490 799350237 /nfs/dbraw/zinc/35/02/37/799350237.db2.gz PJZZJYSOJBRUFD-SECBINFHSA-N 1 2 295.339 -0.106 20 10 CBCDLO C[NH+]1CC(NC(=O)CN2C(=O)CSC2=S)C1 ZINC001144848146 814778434 /nfs/dbraw/zinc/77/84/34/814778434.db2.gz DGCZLOLOYKERDS-UHFFFAOYSA-N 1 2 259.356 -0.723 20 10 CBCDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 ZINC001148586506 814951489 /nfs/dbraw/zinc/95/14/89/814951489.db2.gz QGQKUBBLZPPRRT-VIFPVBQESA-N 1 2 282.296 -0.136 20 10 CBCDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 ZINC001148586506 814951492 /nfs/dbraw/zinc/95/14/92/814951492.db2.gz QGQKUBBLZPPRRT-VIFPVBQESA-N 1 2 282.296 -0.136 20 10 CBCDLO C[N@@H+]1CCO[C@@H](COc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226469833 825279679 /nfs/dbraw/zinc/27/96/79/825279679.db2.gz YFVKUQOQFVFBHV-ZCFIWIBFSA-N 1 2 287.268 -0.076 20 10 CBCDLO C[N@H+]1CCO[C@@H](COc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226469833 825279684 /nfs/dbraw/zinc/27/96/84/825279684.db2.gz YFVKUQOQFVFBHV-ZCFIWIBFSA-N 1 2 287.268 -0.076 20 10 CBCDLO Oc1cc(C[N@H+]2CCOC[C@@H](O)C2)cc(O)c1O ZINC001233010817 825422288 /nfs/dbraw/zinc/42/22/88/825422288.db2.gz UYGWERHWVZAWGE-VIFPVBQESA-N 1 2 255.270 -0.004 20 10 CBCDLO Oc1cc(C[N@@H+]2CCOC[C@@H](O)C2)cc(O)c1O ZINC001233010817 825422290 /nfs/dbraw/zinc/42/22/90/825422290.db2.gz UYGWERHWVZAWGE-VIFPVBQESA-N 1 2 255.270 -0.004 20 10 CBCDLO NC(=O)[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCO1 ZINC001233486436 825423423 /nfs/dbraw/zinc/42/34/23/825423423.db2.gz NBXXGSDXMKERCS-LLVKDONJSA-N 1 2 268.269 -0.511 20 10 CBCDLO NC(=O)[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCO1 ZINC001233486436 825423425 /nfs/dbraw/zinc/42/34/25/825423425.db2.gz NBXXGSDXMKERCS-LLVKDONJSA-N 1 2 268.269 -0.511 20 10 CBCDLO C[C@H](C(=O)NCc1c(O)cccc1F)N1CC[NH2+]CC1=O ZINC001341010797 889533290 /nfs/dbraw/zinc/53/32/90/889533290.db2.gz BXRNGMWGXBVXHH-SECBINFHSA-N 1 2 295.314 -0.032 20 10 CBCDLO O=C1NC(=S)NC(=O)C1=CNNc1[nH+]cncc1Cl ZINC000780142101 582363775 /nfs/dbraw/zinc/36/37/75/582363775.db2.gz CKFSSMFPWYVXBL-UHFFFAOYSA-N 1 2 298.715 -0.539 20 10 CBCDLO O=C(N[C@H](CO)C[NH+]1CCOCC1)c1cccc(O)c1O ZINC000820015939 582547763 /nfs/dbraw/zinc/54/77/63/582547763.db2.gz OKHOEUXVAKNGRW-JTQLQIEISA-N 1 2 296.323 -0.479 20 10 CBCDLO COc1cccc(C[N@@H+]2CCN(CC(N)=O)C(=O)C2)c1O ZINC000839169849 583154746 /nfs/dbraw/zinc/15/47/46/583154746.db2.gz JWMUZCVUHHLYLV-UHFFFAOYSA-N 1 2 293.323 -0.470 20 10 CBCDLO COc1cccc(C[N@H+]2CCN(CC(N)=O)C(=O)C2)c1O ZINC000839169849 583154749 /nfs/dbraw/zinc/15/47/49/583154749.db2.gz JWMUZCVUHHLYLV-UHFFFAOYSA-N 1 2 293.323 -0.470 20 10 CBCDLO NC(=O)[C@H]1C[N@H+](Cc2cc(O)ccc2O)CCO1 ZINC001141161412 814647762 /nfs/dbraw/zinc/64/77/62/814647762.db2.gz RJULBDRUTRMIEH-LLVKDONJSA-N 1 2 252.270 -0.216 20 10 CBCDLO NC(=O)[C@H]1C[N@@H+](Cc2cc(O)ccc2O)CCO1 ZINC001141161412 814647767 /nfs/dbraw/zinc/64/77/67/814647767.db2.gz RJULBDRUTRMIEH-LLVKDONJSA-N 1 2 252.270 -0.216 20 10 CBCDLO COC(=O)[C@H](O)C[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001252441854 825860721 /nfs/dbraw/zinc/86/07/21/825860721.db2.gz NILKBGVUCPYALB-LLVKDONJSA-N 1 2 269.253 -0.596 20 10 CBCDLO CNS(=O)(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000190302411 352179598 /nfs/dbraw/zinc/17/95/98/352179598.db2.gz ILVYZPITHAABRB-UHFFFAOYSA-N 1 2 289.313 -0.061 20 10 CBCDLO O=C1NC[C@H]2C[N@H+](Cc3cc(F)ccc3O)CCN2C1=O ZINC000180256109 220222458 /nfs/dbraw/zinc/22/24/58/220222458.db2.gz IYKMIZQDBZFLCK-NSHDSACASA-N 1 2 293.298 -0.326 20 10 CBCDLO O=C1NC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)CCN2C1=O ZINC000180256109 220222460 /nfs/dbraw/zinc/22/24/60/220222460.db2.gz IYKMIZQDBZFLCK-NSHDSACASA-N 1 2 293.298 -0.326 20 10 CBCDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cccc(O)c1O ZINC000193143906 220233994 /nfs/dbraw/zinc/23/39/94/220233994.db2.gz YZCLSYCFGXMULT-JTQLQIEISA-N 1 2 277.324 -0.173 20 10 CBCDLO C[C@@H](C(=O)NCCc1ccc(N)cc1)N1CC[NH2+]CC1=O ZINC000876528538 584131598 /nfs/dbraw/zinc/13/15/98/584131598.db2.gz YDLSLOPEAHCXHW-NSHDSACASA-N 1 2 290.367 -0.252 20 10 CBCDLO CN(C(=O)CN1CC[NH2+]CC1=O)c1ccc(N)cc1 ZINC000877079441 584164977 /nfs/dbraw/zinc/16/49/77/584164977.db2.gz YTDWRZFRCOUWKF-UHFFFAOYSA-N 1 2 262.313 -0.337 20 10 CBCDLO O=C(C[N@H+]1CC[C@@H](O)C1)NCC(=O)c1ccc(O)c(O)c1 ZINC001186054491 821161576 /nfs/dbraw/zinc/16/15/76/821161576.db2.gz FDUKSYBAXGWVTQ-SNVBAGLBSA-N 1 2 294.307 -0.537 20 10 CBCDLO O=C(C[N@@H+]1CC[C@@H](O)C1)NCC(=O)c1ccc(O)c(O)c1 ZINC001186054491 821161577 /nfs/dbraw/zinc/16/15/77/821161577.db2.gz FDUKSYBAXGWVTQ-SNVBAGLBSA-N 1 2 294.307 -0.537 20 10 CBCDLO Cc1cc(C)c(CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)c(O)c1 ZINC001220825830 825107443 /nfs/dbraw/zinc/10/74/43/825107443.db2.gz UBOFJANNOZKWFE-JTQLQIEISA-N 1 2 290.327 -0.292 20 10 CBCDLO NC(=O)[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000050926853 351504949 /nfs/dbraw/zinc/50/49/49/351504949.db2.gz LOPMTZCAQRBXMB-GFCCVEGCSA-N 1 2 280.280 -0.193 20 10 CBCDLO NC(=O)[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000050926853 351504951 /nfs/dbraw/zinc/50/49/51/351504951.db2.gz LOPMTZCAQRBXMB-GFCCVEGCSA-N 1 2 280.280 -0.193 20 10 CBCDLO O=C1NC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCN2C1=O ZINC000180256089 296379911 /nfs/dbraw/zinc/37/99/11/296379911.db2.gz IYKMIZQDBZFLCK-LLVKDONJSA-N 1 2 293.298 -0.326 20 10 CBCDLO O=C1NC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CCN2C1=O ZINC000180256089 296379913 /nfs/dbraw/zinc/37/99/13/296379913.db2.gz IYKMIZQDBZFLCK-LLVKDONJSA-N 1 2 293.298 -0.326 20 10 CBCDLO NC(=O)[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CCO1 ZINC001141161413 814648264 /nfs/dbraw/zinc/64/82/64/814648264.db2.gz RJULBDRUTRMIEH-NSHDSACASA-N 1 2 252.270 -0.216 20 10 CBCDLO NC(=O)[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)CCO1 ZINC001141161413 814648270 /nfs/dbraw/zinc/64/82/70/814648270.db2.gz RJULBDRUTRMIEH-NSHDSACASA-N 1 2 252.270 -0.216 20 10 CBCDLO COC(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)C[NH2+]1 ZINC001219968096 824924480 /nfs/dbraw/zinc/92/44/80/824924480.db2.gz VTCPROSODDPDOE-NEPJUHHUSA-N 1 2 277.324 -0.169 20 10 CBCDLO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(O)c(O)c3O)C[C@@H](C1)O2 ZINC001270067457 827544452 /nfs/dbraw/zinc/54/44/52/827544452.db2.gz JVNJVELFUXQURH-DTORHVGOSA-N 1 2 294.307 -0.042 20 10 CBCDLO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(O)c(O)c3O)C[C@@H](C1)O2 ZINC001270067457 827544460 /nfs/dbraw/zinc/54/44/60/827544460.db2.gz JVNJVELFUXQURH-DTORHVGOSA-N 1 2 294.307 -0.042 20 10 CBCDLO C[N@@H+]1CCC12CN(C(=O)[C@@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001272971698 827855311 /nfs/dbraw/zinc/85/53/11/827855311.db2.gz KLMYBUHDWLCFOP-ZDUSSCGKSA-N 1 2 292.335 -0.082 20 10 CBCDLO C[N@H+]1CCC12CN(C(=O)[C@@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001272971698 827855319 /nfs/dbraw/zinc/85/53/19/827855319.db2.gz KLMYBUHDWLCFOP-ZDUSSCGKSA-N 1 2 292.335 -0.082 20 10 CBCDLO CN1CC2(C[NH+](Cc3cc(O)c(O)c(O)c3)C2)OCC1=O ZINC001274836632 828033659 /nfs/dbraw/zinc/03/36/59/828033659.db2.gz MIHYHUSMXVMAHQ-UHFFFAOYSA-N 1 2 294.307 -0.154 20 10 CBCDLO O=C(c1cccc(O)c1O)N1CC[NH+](CCO)CC1 ZINC000126266116 220210237 /nfs/dbraw/zinc/21/02/37/220210237.db2.gz FEPPIAONYRWNSB-UHFFFAOYSA-N 1 2 266.297 -0.152 20 10 CBCDLO COc1c(O)c(C[NH+]2C[C@@H](O)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000278393862 521876432 /nfs/dbraw/zinc/87/64/32/521876432.db2.gz NCKCBCXANFZULP-NXEZZACHSA-N 1 2 284.268 -0.154 20 10 CBCDLO NC(=O)[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000768443666 582334041 /nfs/dbraw/zinc/33/40/41/582334041.db2.gz INKYRSIHRHCNQH-WCQYABFASA-N 1 2 294.307 -0.496 20 10 CBCDLO NC(=O)[C@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000768443666 582334042 /nfs/dbraw/zinc/33/40/42/582334042.db2.gz INKYRSIHRHCNQH-WCQYABFASA-N 1 2 294.307 -0.496 20 10 CBCDLO Cn1cc[nH+]c1CCNC(=O)CN1C(=O)CSC1=S ZINC001144852784 814778533 /nfs/dbraw/zinc/77/85/33/814778533.db2.gz JAYZFZGGBPCDHR-UHFFFAOYSA-N 1 2 298.393 -0.061 20 10 CBCDLO O=C(NCC[NH+]1CC2(COC2)C1)c1cc(O)c(O)c(O)c1 ZINC001148589924 814952960 /nfs/dbraw/zinc/95/29/60/814952960.db2.gz QVGSOOLSSZJKGC-UHFFFAOYSA-N 1 2 294.307 -0.135 20 10 CBCDLO COC(=O)[C@@]1([NH3+])CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC001161139156 815720670 /nfs/dbraw/zinc/72/06/70/815720670.db2.gz MDQDJZWCBWWCJR-CQSZACIVSA-N 1 2 277.324 -0.086 20 10 CBCDLO O=C(CNC(=O)[C@@H]1COCC[NH2+]1)c1ccc(O)c(O)c1 ZINC001220490099 825049153 /nfs/dbraw/zinc/04/91/53/825049153.db2.gz SSACSTWQSXGGJN-VIFPVBQESA-N 1 2 280.280 -0.615 20 10 CBCDLO C[C@@H](C(=O)NCc1ccc(N)cc1)N1CC[NH2+]CC1=O ZINC001341924424 889683808 /nfs/dbraw/zinc/68/38/08/889683808.db2.gz SVFQMTRYPIVWGX-JTQLQIEISA-N 1 2 276.340 -0.295 20 10 CBCDLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC001349474743 890821445 /nfs/dbraw/zinc/82/14/45/890821445.db2.gz WRTCGHNSZPNUAE-ZDUSSCGKSA-N 1 2 290.367 -0.123 20 10 CBCDLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC001349474743 890821460 /nfs/dbraw/zinc/82/14/60/890821460.db2.gz WRTCGHNSZPNUAE-ZDUSSCGKSA-N 1 2 290.367 -0.123 20 10 CBCDLO CCc1cccc(C[NH+]2CC(O)(C(N)=O)C2)c1O ZINC001474690933 915898455 /nfs/dbraw/zinc/89/84/55/915898455.db2.gz IIWAIIQHZWAZMI-UHFFFAOYSA-N 1 2 250.298 -0.013 20 10 CBCDLO CN(C)c1[nH+]cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)n1C ZINC000840713189 583167037 /nfs/dbraw/zinc/16/70/37/583167037.db2.gz QQZGIIOVELRBCO-UHFFFAOYSA-N 1 2 291.311 -0.080 20 10 CBCDLO COc1ccc(O)c(C[NH+]2CC3(C2)NC(=O)NC3=O)c1 ZINC000897905926 584726993 /nfs/dbraw/zinc/72/69/93/584726993.db2.gz NQSFEKYYJMNTSH-UHFFFAOYSA-N 1 2 277.280 -0.205 20 10 CBCDLO COC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1O ZINC001219923383 824916951 /nfs/dbraw/zinc/91/69/51/824916951.db2.gz KOBJOFRZYQXKEX-VIFPVBQESA-N 1 2 252.270 -0.101 20 10 CBCDLO O=C1COC[C@H]2C[N@H+](Cc3cc(O)c(O)cc3O)CCN12 ZINC001233486147 825424094 /nfs/dbraw/zinc/42/40/94/825424094.db2.gz ABJHKVFAAYTZRY-SNVBAGLBSA-N 1 2 294.307 -0.154 20 10 CBCDLO O=C1COC[C@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)CCN12 ZINC001233486147 825424098 /nfs/dbraw/zinc/42/40/98/825424098.db2.gz ABJHKVFAAYTZRY-SNVBAGLBSA-N 1 2 294.307 -0.154 20 10 CBCDLO COc1c(O)c(C[NH+]2C[C@H](O)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000278393865 521876614 /nfs/dbraw/zinc/87/66/14/521876614.db2.gz NCKCBCXANFZULP-UWVGGRQHSA-N 1 2 284.268 -0.154 20 10 CBCDLO Cc1cccc(O)c1C[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000877583395 584183353 /nfs/dbraw/zinc/18/33/53/584183353.db2.gz QCXWJBYVRHNUDP-UHFFFAOYSA-N 1 2 277.324 -0.170 20 10 CBCDLO Cc1cccc(O)c1C[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000877583395 584183356 /nfs/dbraw/zinc/18/33/56/584183356.db2.gz QCXWJBYVRHNUDP-UHFFFAOYSA-N 1 2 277.324 -0.170 20 10 CBCDLO O=C(CN1C(=O)CSC1=S)NCCn1cc[nH+]c1 ZINC001144840992 814778322 /nfs/dbraw/zinc/77/83/22/814778322.db2.gz MMPOXGKVPXCOBY-UHFFFAOYSA-N 1 2 284.366 -0.140 20 10 CBCDLO COC(=O)[C@]1([NH3+])CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC001161139155 815720915 /nfs/dbraw/zinc/72/09/15/815720915.db2.gz MDQDJZWCBWWCJR-AWEZNQCLSA-N 1 2 277.324 -0.086 20 10 CBCDLO COC(=O)[C@@H](O)C[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001252441855 825861847 /nfs/dbraw/zinc/86/18/47/825861847.db2.gz NILKBGVUCPYALB-NSHDSACASA-N 1 2 269.253 -0.596 20 10 CBCDLO C[C@H](C(=O)NCc1ccc(N)cc1)N1CC[NH2+]CC1=O ZINC001341924425 889684393 /nfs/dbraw/zinc/68/43/93/889684393.db2.gz SVFQMTRYPIVWGX-SNVBAGLBSA-N 1 2 276.340 -0.295 20 10 CBCDLO NC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000768443636 582334017 /nfs/dbraw/zinc/33/40/17/582334017.db2.gz INKYRSIHRHCNQH-AAEUAGOBSA-N 1 2 294.307 -0.496 20 10 CBCDLO NC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000768443636 582334018 /nfs/dbraw/zinc/33/40/18/582334018.db2.gz INKYRSIHRHCNQH-AAEUAGOBSA-N 1 2 294.307 -0.496 20 10 CBCDLO CN(C)c1ccc(CNC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000237082361 656115834 /nfs/dbraw/zinc/11/58/34/656115834.db2.gz ZDMYQLQTBDEPTP-UHFFFAOYSA-N 1 2 290.367 -0.199 20 10 CBCDLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCc2cccc(O)c2C1 ZINC001160872682 815682542 /nfs/dbraw/zinc/68/25/42/815682542.db2.gz PDOZCDSIZPBQCL-JTQLQIEISA-N 1 2 288.311 -0.640 20 10 CBCDLO COc1cc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c(O)cc1O ZINC001231638322 825411245 /nfs/dbraw/zinc/41/12/45/825411245.db2.gz XRKMTXXVYMWTAR-LBPRGKRZSA-N 1 2 282.296 -0.208 20 10 CBCDLO COc1cc(C[N@H+]2CCO[C@H](C(N)=O)C2)c(O)cc1O ZINC001231638322 825411251 /nfs/dbraw/zinc/41/12/51/825411251.db2.gz XRKMTXXVYMWTAR-LBPRGKRZSA-N 1 2 282.296 -0.208 20 10 CBCDLO COc1cc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c(O)cc1O ZINC001231638315 825411839 /nfs/dbraw/zinc/41/18/39/825411839.db2.gz XRKMTXXVYMWTAR-GFCCVEGCSA-N 1 2 282.296 -0.208 20 10 CBCDLO COc1cc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c(O)cc1O ZINC001231638315 825411841 /nfs/dbraw/zinc/41/18/41/825411841.db2.gz XRKMTXXVYMWTAR-GFCCVEGCSA-N 1 2 282.296 -0.208 20 10 CBCDLO Oc1cc(C[N@H+]2CCOC[C@H](O)C2)cc(O)c1O ZINC001233010816 825421820 /nfs/dbraw/zinc/42/18/20/825421820.db2.gz UYGWERHWVZAWGE-SECBINFHSA-N 1 2 255.270 -0.004 20 10 CBCDLO Oc1cc(C[N@@H+]2CCOC[C@H](O)C2)cc(O)c1O ZINC001233010816 825421825 /nfs/dbraw/zinc/42/18/25/825421825.db2.gz UYGWERHWVZAWGE-SECBINFHSA-N 1 2 255.270 -0.004 20 10 CBCDLO NC(=O)N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233485155 825423198 /nfs/dbraw/zinc/42/31/98/825423198.db2.gz KZJNACGPVCHFAH-UHFFFAOYSA-N 1 2 267.285 0.000 20 10 CBCDLO COC(=O)[C@@H]1C[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CN1 ZINC001246293609 825660524 /nfs/dbraw/zinc/66/05/24/825660524.db2.gz TYEZAUVSNAUHNH-UWVGGRQHSA-N 1 2 294.307 -0.226 20 10 CBCDLO C[N@H+]1C[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H](C1)O2 ZINC001270070093 827545788 /nfs/dbraw/zinc/54/57/88/827545788.db2.gz VECDJTTVEMASAS-AOOOYVTPSA-N 1 2 294.307 -0.042 20 10 CBCDLO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H](C1)O2 ZINC001270070093 827545795 /nfs/dbraw/zinc/54/57/95/827545795.db2.gz VECDJTTVEMASAS-AOOOYVTPSA-N 1 2 294.307 -0.042 20 10 CBCDLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC001349474742 890819856 /nfs/dbraw/zinc/81/98/56/890819856.db2.gz WRTCGHNSZPNUAE-CYBMUJFWSA-N 1 2 290.367 -0.123 20 10 CBCDLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC001349474742 890819871 /nfs/dbraw/zinc/81/98/71/890819871.db2.gz WRTCGHNSZPNUAE-CYBMUJFWSA-N 1 2 290.367 -0.123 20 10 CBCDLO COc1ccc(CNC(=O)CN2CC[NH2+]CC2=O)c(O)c1 ZINC000832178207 583015816 /nfs/dbraw/zinc/01/58/16/583015816.db2.gz OKWJNVLGBUANFM-UHFFFAOYSA-N 1 2 293.323 -0.551 20 10 CBCDLO CNC(=O)C[NH+](CC(=O)NC)Cc1cccc(OC)c1O ZINC000877837501 584186532 /nfs/dbraw/zinc/18/65/32/584186532.db2.gz DSHAUUUWFOGODM-UHFFFAOYSA-N 1 2 295.339 -0.305 20 10 CBCDLO C[C@H](C(=O)NCc1ccccc1O)N1CC[NH2+]CC1=O ZINC000705708960 656186720 /nfs/dbraw/zinc/18/67/20/656186720.db2.gz AMUJIQOAXCMXTH-SNVBAGLBSA-N 1 2 277.324 -0.171 20 10 CBCDLO C[N@@H+]1CCN(C(=O)c2cccc(O)c2O)[C@H](CO)C1 ZINC000699526978 790705135 /nfs/dbraw/zinc/70/51/35/790705135.db2.gz FICHXKQPRJPFGG-VIFPVBQESA-N 1 2 266.297 -0.154 20 10 CBCDLO C[N@H+]1CCN(C(=O)c2cccc(O)c2O)[C@H](CO)C1 ZINC000699526978 790705144 /nfs/dbraw/zinc/70/51/44/790705144.db2.gz FICHXKQPRJPFGG-VIFPVBQESA-N 1 2 266.297 -0.154 20 10 CBCDLO C[N@@H+]1CCO[C@H](COc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226469832 825278376 /nfs/dbraw/zinc/27/83/76/825278376.db2.gz YFVKUQOQFVFBHV-LURJTMIESA-N 1 2 287.268 -0.076 20 10 CBCDLO C[N@H+]1CCO[C@H](COc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226469832 825278384 /nfs/dbraw/zinc/27/83/84/825278384.db2.gz YFVKUQOQFVFBHV-LURJTMIESA-N 1 2 287.268 -0.076 20 10 CBCDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H](O)Cc1ccc(O)c(O)c1 ZINC001272972856 827854883 /nfs/dbraw/zinc/85/48/83/827854883.db2.gz ZLEWNOVKSAPHEG-WDMOLILDSA-N 1 2 292.335 -0.084 20 10 CBCDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H](O)Cc1ccc(O)c(O)c1 ZINC001272972856 827854895 /nfs/dbraw/zinc/85/48/95/827854895.db2.gz ZLEWNOVKSAPHEG-WDMOLILDSA-N 1 2 292.335 -0.084 20 10 CBCDLO CN1C(=O)COCC12C[NH+](Cc1cc(O)c(O)cc1O)C2 ZINC001273843758 827932009 /nfs/dbraw/zinc/93/20/09/827932009.db2.gz VNNYZYSKMMMBHX-UHFFFAOYSA-N 1 2 294.307 -0.154 20 10 CBCDLO O=C1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCN1 ZINC000768437821 582334021 /nfs/dbraw/zinc/33/40/21/582334021.db2.gz JQTQLVHABVLTRL-NSHDSACASA-N 1 2 264.281 -0.250 20 10 CBCDLO O=C1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCN1 ZINC000768437821 582334022 /nfs/dbraw/zinc/33/40/22/582334022.db2.gz JQTQLVHABVLTRL-NSHDSACASA-N 1 2 264.281 -0.250 20 10 CBCDLO NC(=O)CN1CC[N@H+](Cc2ccccc2O)CC1=O ZINC000839171089 583154705 /nfs/dbraw/zinc/15/47/05/583154705.db2.gz YNAGYBQUKMCZIQ-UHFFFAOYSA-N 1 2 263.297 -0.478 20 10 CBCDLO NC(=O)CN1CC[N@@H+](Cc2ccccc2O)CC1=O ZINC000839171089 583154706 /nfs/dbraw/zinc/15/47/06/583154706.db2.gz YNAGYBQUKMCZIQ-UHFFFAOYSA-N 1 2 263.297 -0.478 20 10 CBCDLO COc1ccc(O)c(C[N@@H+]2CCN(CC(N)=O)C(=O)C2)c1 ZINC000839169841 583154770 /nfs/dbraw/zinc/15/47/70/583154770.db2.gz JVOJZWGVJXMXCK-UHFFFAOYSA-N 1 2 293.323 -0.470 20 10 CBCDLO COc1ccc(O)c(C[N@H+]2CCN(CC(N)=O)C(=O)C2)c1 ZINC000839169841 583154772 /nfs/dbraw/zinc/15/47/72/583154772.db2.gz JVOJZWGVJXMXCK-UHFFFAOYSA-N 1 2 293.323 -0.470 20 10 CBCDLO Cn1c[nH+]c(CCNC(=O)CN2C(=O)CSC2=S)c1 ZINC001144847488 814778422 /nfs/dbraw/zinc/77/84/22/814778422.db2.gz RKQPLKUILBCZEN-UHFFFAOYSA-N 1 2 298.393 -0.061 20 10 CBCDLO O=C1CN(C2C[NH+](Cc3cc(O)ccc3O)C2)CCN1 ZINC001141160409 814647809 /nfs/dbraw/zinc/64/78/09/814647809.db2.gz XPRFCRYMGYMFMS-UHFFFAOYSA-N 1 2 277.324 -0.286 20 10 CBCDLO NC(=O)CN1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486561 825423270 /nfs/dbraw/zinc/42/32/70/825423270.db2.gz RRBCCOMEQKZNBK-UHFFFAOYSA-N 1 2 281.312 -0.594 20 10 CBCDLO CN1CC2(C[NH+](Cc3c(O)cc(O)cc3O)C2)OCC1=O ZINC001273671663 827916915 /nfs/dbraw/zinc/91/69/15/827916915.db2.gz NPXUJJYCADYYIS-UHFFFAOYSA-N 1 2 294.307 -0.154 20 10 CBCDLO NC(=O)[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000768443664 582334004 /nfs/dbraw/zinc/33/40/04/582334004.db2.gz INKYRSIHRHCNQH-DGCLKSJQSA-N 1 2 294.307 -0.496 20 10 CBCDLO NC(=O)[C@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000768443664 582334005 /nfs/dbraw/zinc/33/40/05/582334005.db2.gz INKYRSIHRHCNQH-DGCLKSJQSA-N 1 2 294.307 -0.496 20 10 CBCDLO O=C(CO)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000793593753 582398013 /nfs/dbraw/zinc/39/80/13/582398013.db2.gz PZCVFDYKFRRUGT-UHFFFAOYSA-N 1 2 294.307 -0.243 20 10 CBCDLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)c1cccc(O)c1O ZINC000820015942 582547783 /nfs/dbraw/zinc/54/77/83/582547783.db2.gz OKHOEUXVAKNGRW-SNVBAGLBSA-N 1 2 296.323 -0.479 20 10 CBCDLO C[C@H](C(=O)NCCc1ccc(N)cc1)N1CC[NH2+]CC1=O ZINC000876528534 584131554 /nfs/dbraw/zinc/13/15/54/584131554.db2.gz YDLSLOPEAHCXHW-LLVKDONJSA-N 1 2 290.367 -0.252 20 10 CBCDLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCc1ccccc1O ZINC001219923141 824915594 /nfs/dbraw/zinc/91/55/94/824915594.db2.gz DAWHFUUFPQKSRT-QMMMGPOBSA-N 1 2 262.273 -0.909 20 10 CBCDLO Nc1ccc(CNC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC001515333145 922233566 /nfs/dbraw/zinc/23/35/66/922233566.db2.gz NUABJSOUSQIUPM-UHFFFAOYSA-N 1 2 262.313 -0.683 20 10 CBCDLO O=C1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCN1 ZINC000768437820 582333991 /nfs/dbraw/zinc/33/39/91/582333991.db2.gz JQTQLVHABVLTRL-LLVKDONJSA-N 1 2 264.281 -0.250 20 10 CBCDLO O=C1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCN1 ZINC000768437820 582333992 /nfs/dbraw/zinc/33/39/92/582333992.db2.gz JQTQLVHABVLTRL-LLVKDONJSA-N 1 2 264.281 -0.250 20 10 CBCDLO NC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000768443668 582333995 /nfs/dbraw/zinc/33/39/95/582333995.db2.gz INKYRSIHRHCNQH-YPMHNXCESA-N 1 2 294.307 -0.496 20 10 CBCDLO NC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000768443668 582333996 /nfs/dbraw/zinc/33/39/96/582333996.db2.gz INKYRSIHRHCNQH-YPMHNXCESA-N 1 2 294.307 -0.496 20 10 CBCDLO COC(=O)[C@@H]1C[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CN1 ZINC001246293624 825660498 /nfs/dbraw/zinc/66/04/98/825660498.db2.gz TYEZAUVSNAUHNH-ZJUUUORDSA-N 1 2 294.307 -0.226 20 10 CBCDLO NC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000050926851 351504556 /nfs/dbraw/zinc/50/45/56/351504556.db2.gz LOPMTZCAQRBXMB-LBPRGKRZSA-N 1 2 280.280 -0.193 20 10 CBCDLO NC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000050926851 351504567 /nfs/dbraw/zinc/50/45/67/351504567.db2.gz LOPMTZCAQRBXMB-LBPRGKRZSA-N 1 2 280.280 -0.193 20 10 CBCDLO COc1cccc(C[NH+]2CC3(C2)NC(=O)NC3=O)c1O ZINC000897906776 584727236 /nfs/dbraw/zinc/72/72/36/584727236.db2.gz AINKYUTXKXXLRW-UHFFFAOYSA-N 1 2 277.280 -0.205 20 10 CBCDLO CN(Cc1ccccc1O)C(=O)CN1CC[NH2+]CC1=O ZINC000152083506 656070675 /nfs/dbraw/zinc/07/06/75/656070675.db2.gz IGGYQHVGRNKZQC-UHFFFAOYSA-N 1 2 277.324 -0.218 20 10 CBCDLO Nc1ccc(CCNC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000238125254 656117767 /nfs/dbraw/zinc/11/77/67/656117767.db2.gz LNOZAXJOHYGCHI-UHFFFAOYSA-N 1 2 276.340 -0.641 20 10 CBCDLO COc1cc(C(=O)NC2C[NH+](CCCO)C2)cc(OC)n1 ZINC001030614398 799351147 /nfs/dbraw/zinc/35/11/47/799351147.db2.gz IMUZONYYHXHYMJ-UHFFFAOYSA-N 1 2 295.339 -0.105 20 10 CBCDLO COc1ccc(O)c(C[NH+]2CC(O)(C(N)=O)C2)c1 ZINC001183620542 821010010 /nfs/dbraw/zinc/01/00/10/821010010.db2.gz UNEDETLRNZGVSK-UHFFFAOYSA-N 1 2 252.270 -0.567 20 10 CBCDLO O=C1CN(C2C[NH+](Cc3cc(O)c(O)cc3O)C2)CCN1 ZINC001233485876 825423964 /nfs/dbraw/zinc/42/39/64/825423964.db2.gz OGOBDSASQMMERO-UHFFFAOYSA-N 1 2 293.323 -0.581 20 10 CBCDLO C[N@@H+]1CCC12CN(C(=O)[C@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001272971697 827855856 /nfs/dbraw/zinc/85/58/56/827855856.db2.gz KLMYBUHDWLCFOP-CYBMUJFWSA-N 1 2 292.335 -0.082 20 10 CBCDLO C[N@H+]1CCC12CN(C(=O)[C@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001272971697 827855867 /nfs/dbraw/zinc/85/58/67/827855867.db2.gz KLMYBUHDWLCFOP-CYBMUJFWSA-N 1 2 292.335 -0.082 20 10 CBCDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cccc(O)c1O ZINC000193143894 220233047 /nfs/dbraw/zinc/23/30/47/220233047.db2.gz YZCLSYCFGXMULT-SNVBAGLBSA-N 1 2 277.324 -0.173 20 10 CBCDLO O=C(CN1CC[NH2+]CC1=O)NCc1ccccc1O ZINC000705947585 656187606 /nfs/dbraw/zinc/18/76/06/656187606.db2.gz XZWLWXPSDHJJJM-UHFFFAOYSA-N 1 2 263.297 -0.560 20 10 CBCDLO C[N@@H+]1CCN(C(=O)c2cccc(O)c2O)[C@@H](CO)C1 ZINC000699526976 790706748 /nfs/dbraw/zinc/70/67/48/790706748.db2.gz FICHXKQPRJPFGG-SECBINFHSA-N 1 2 266.297 -0.154 20 10 CBCDLO C[N@H+]1CCN(C(=O)c2cccc(O)c2O)[C@@H](CO)C1 ZINC000699526976 790706752 /nfs/dbraw/zinc/70/67/52/790706752.db2.gz FICHXKQPRJPFGG-SECBINFHSA-N 1 2 266.297 -0.154 20 10 CBCDLO NC(=O)C1=NO[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@H]12 ZINC001276914079 828166618 /nfs/dbraw/zinc/16/66/18/828166618.db2.gz LYYXGUGLTVRQRX-GZMMTYOYSA-N 1 2 277.280 -0.230 20 10 CBCDLO NC(=O)C1=NO[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@H]12 ZINC001276914079 828166619 /nfs/dbraw/zinc/16/66/19/828166619.db2.gz LYYXGUGLTVRQRX-GZMMTYOYSA-N 1 2 277.280 -0.230 20 10 CBCDLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1cccc(O)c1O ZINC000279805046 527667328 /nfs/dbraw/zinc/66/73/28/527667328.db2.gz KLSFUTOKIYZGLW-UHFFFAOYSA-N 1 2 293.323 -0.351 20 10 CBCDLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1cccc(O)c1O ZINC000279805046 527667331 /nfs/dbraw/zinc/66/73/31/527667331.db2.gz KLSFUTOKIYZGLW-UHFFFAOYSA-N 1 2 293.323 -0.351 20 10 CBCDLO CNC(=O)C[NH+](CC(=O)NC)Cc1ccc(C)cc1O ZINC000877837900 584186677 /nfs/dbraw/zinc/18/66/77/584186677.db2.gz LGTUSSGPVDESPE-UHFFFAOYSA-N 1 2 279.340 -0.005 20 10 CBCDLO O=C1NC(=O)C2(C[NH+](Cc3cc(F)ccc3O)C2)N1 ZINC000897905672 584726961 /nfs/dbraw/zinc/72/69/61/584726961.db2.gz KVVDJKKMPGILOB-UHFFFAOYSA-N 1 2 265.244 -0.075 20 10 CBCDLO O=C1COC[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)CCN12 ZINC001233486146 825424620 /nfs/dbraw/zinc/42/46/20/825424620.db2.gz ABJHKVFAAYTZRY-JTQLQIEISA-N 1 2 294.307 -0.154 20 10 CBCDLO O=C1COC[C@@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)CCN12 ZINC001233486146 825424623 /nfs/dbraw/zinc/42/46/23/825424623.db2.gz ABJHKVFAAYTZRY-JTQLQIEISA-N 1 2 294.307 -0.154 20 10 CBCDLO C[C@@H](C(=O)NCc1c(O)cccc1F)N1CC[NH2+]CC1=O ZINC001341010798 889532930 /nfs/dbraw/zinc/53/29/30/889532930.db2.gz BXRNGMWGXBVXHH-VIFPVBQESA-N 1 2 295.314 -0.032 20 10 CBCDLO NC(=O)Cn1cc(C[N@@H+]2Cc3cccc(O)c3C2)nn1 ZINC000877702564 584184157 /nfs/dbraw/zinc/18/41/57/584184157.db2.gz BRQLAPTZYUPBDG-UHFFFAOYSA-N 1 2 273.296 -0.015 20 10 CBCDLO NC(=O)Cn1cc(C[N@H+]2Cc3cccc(O)c3C2)nn1 ZINC000877702564 584184159 /nfs/dbraw/zinc/18/41/59/584184159.db2.gz BRQLAPTZYUPBDG-UHFFFAOYSA-N 1 2 273.296 -0.015 20 10 CBCDLO C[C@@H](C(=O)NCc1ccccc1O)N1CC[NH2+]CC1=O ZINC000705708957 656187157 /nfs/dbraw/zinc/18/71/57/656187157.db2.gz AMUJIQOAXCMXTH-JTQLQIEISA-N 1 2 277.324 -0.171 20 10 CBCDLO