smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](CC[NH3+])C[C@@H]1CCCCO1 20439830 537785278 /nfs/dbraw/zinc/78/52/78/537785278.db2.gz NQUGMNAKKGJMNQ-VIFPVBQESA-N 2 2 172.272 0.446 10 0 ACAELP C[N@H+](CC[NH3+])C[C@@H]1CCCCO1 20439830 537785271 /nfs/dbraw/zinc/78/52/71/537785271.db2.gz NQUGMNAKKGJMNQ-VIFPVBQESA-N 2 2 172.272 0.446 10 0 ACAELP C[N@H+](CC[NH3+])C[C@H]1CCCCO1 20439834 537785295 /nfs/dbraw/zinc/78/52/95/537785295.db2.gz NQUGMNAKKGJMNQ-SECBINFHSA-N 2 2 172.272 0.446 10 0 ACAELP C[N@@H+](CC[NH3+])C[C@H]1CCCCO1 20439834 537785306 /nfs/dbraw/zinc/78/53/06/537785306.db2.gz NQUGMNAKKGJMNQ-SECBINFHSA-N 2 2 172.272 0.446 10 0 ACAELP COC(C)(C)C[N@H+](C)CC[NH3+] 22968838 537788916 /nfs/dbraw/zinc/78/89/16/537788916.db2.gz ADIDXFUVDQDKIL-UHFFFAOYSA-N 2 2 160.261 0.302 10 0 ACAELP COC(C)(C)C[N@@H+](C)CC[NH3+] 22968838 537788921 /nfs/dbraw/zinc/78/89/21/537788921.db2.gz ADIDXFUVDQDKIL-UHFFFAOYSA-N 2 2 160.261 0.302 10 0 ACAELP Cc1[nH+]cc(C2=C[C@@H](O)C[NH2+]C2)n1C 675076878 537792063 /nfs/dbraw/zinc/79/20/63/537792063.db2.gz GRZNZFXOCIIABJ-SECBINFHSA-N 2 2 193.250 0.076 10 0 ACAELP Cc1[nH+]cc(C2=C[C@@H]([NH3+])C[NH2+]C2)n1C 675076999 537792344 /nfs/dbraw/zinc/79/23/44/537792344.db2.gz IHURIBGXOOLRKK-SECBINFHSA-N 3 2 192.266 0.042 10 0 ACAELP [NH3+][C@@H]1C=C(Cc2cccnc2)C[NH2+]C1 675078148 537800455 /nfs/dbraw/zinc/80/04/55/537800455.db2.gz WIVRCTJSKVWYNG-LLVKDONJSA-N 2 2 189.262 0.481 10 0 ACAELP Cc1[nH+]c(C2=C[C@H](O)C[NH2+]C2)cn1C 675077027 537793059 /nfs/dbraw/zinc/79/30/59/537793059.db2.gz IOZIOFRCXPELNL-VIFPVBQESA-N 2 2 193.250 0.076 10 0 ACAELP Cc1[nH+]cc(C2=C[C@H]([NH3+])C[NH2+]C2)n1C 675077001 537793348 /nfs/dbraw/zinc/79/33/48/537793348.db2.gz IHURIBGXOOLRKK-VIFPVBQESA-N 3 2 192.266 0.042 10 0 ACAELP Cc1[nH+]cc(C2=C[C@H](O)C[NH2+]C2)n1C 675076881 537793805 /nfs/dbraw/zinc/79/38/05/537793805.db2.gz GRZNZFXOCIIABJ-VIFPVBQESA-N 2 2 193.250 0.076 10 0 ACAELP CCn1nccc1C1=C[C@H]([NH3+])C[NH2+]C1 675076674 537794027 /nfs/dbraw/zinc/79/40/27/537794027.db2.gz FTVHYRKVNOUIKL-VIFPVBQESA-N 2 2 192.266 0.217 10 0 ACAELP Cc1[nH+]c(C2=C[C@@H](O)C[NH2+]C2)cn1C 675077025 537794041 /nfs/dbraw/zinc/79/40/41/537794041.db2.gz IOZIOFRCXPELNL-SECBINFHSA-N 2 2 193.250 0.076 10 0 ACAELP [NH3+][C@@H]1C=C(c2cccnc2)C[NH2+]C1 675076298 537794517 /nfs/dbraw/zinc/79/45/17/537794517.db2.gz APVREWFALASBSF-SNVBAGLBSA-N 2 2 175.235 0.396 10 0 ACAELP CCn1nccc1C1=C[C@@H]([NH3+])C[NH2+]C1 675076673 537795013 /nfs/dbraw/zinc/79/50/13/537795013.db2.gz FTVHYRKVNOUIKL-SECBINFHSA-N 2 2 192.266 0.217 10 0 ACAELP Cc1coc(C2=C[C@H]([NH3+])C[NH2+]C2)c1 675077644 537800749 /nfs/dbraw/zinc/80/07/49/537800749.db2.gz GRQLXBDXFZGBTQ-VIFPVBQESA-N 2 2 178.235 0.902 10 0 ACAELP [NH3+][C@H]1C=C(c2cccnc2)C[NH2+]C1 675076297 537795833 /nfs/dbraw/zinc/79/58/33/537795833.db2.gz APVREWFALASBSF-JTQLQIEISA-N 2 2 175.235 0.396 10 0 ACAELP [NH3+][C@H]1C=C(c2ccoc2)C[NH2+]C1 675077717 537796307 /nfs/dbraw/zinc/79/63/07/537796307.db2.gz HOCBTNTYHXWYIM-VIFPVBQESA-N 2 2 164.208 0.594 10 0 ACAELP [NH3+][C@H]1C=C(Cc2ccncc2)C[NH2+]C1 675077774 537796457 /nfs/dbraw/zinc/79/64/57/537796457.db2.gz IKEWUOYHILLCSE-NSHDSACASA-N 2 2 189.262 0.481 10 0 ACAELP [NH3+][C@@H]1C=C(c2ccns2)C[NH2+]C1 675077659 537796914 /nfs/dbraw/zinc/79/69/14/537796914.db2.gz GYXJPQUQTUIWSE-SSDOTTSWSA-N 2 2 181.264 0.457 10 0 ACAELP [NH3+][C@@H]1C=C(c2cscn2)C[NH2+]C1 675077979 537796894 /nfs/dbraw/zinc/79/68/94/537796894.db2.gz LRDSNUQJOKLNKQ-SSDOTTSWSA-N 2 2 181.264 0.457 10 0 ACAELP Cc1ncsc1C1=C[C@@H]([NH3+])C[NH2+]C1 675077975 537796932 /nfs/dbraw/zinc/79/69/32/537796932.db2.gz LMKLGOGIUNKMRO-MRVPVSSYSA-N 2 2 195.291 0.765 10 0 ACAELP [NH3+][C@H]1C=C(c2cncs2)C[NH2+]C1 675077404 537797048 /nfs/dbraw/zinc/79/70/48/537797048.db2.gz DOXJIKDUUDGSLV-ZETCQYMHSA-N 2 2 181.264 0.457 10 0 ACAELP [NH3+][C@H]1C=C(c2ccc[nH]2)C[NH2+]C1 675077472 537797374 /nfs/dbraw/zinc/79/73/74/537797374.db2.gz FJSJCVPHGIZEQU-QMMMGPOBSA-N 2 2 163.224 0.329 10 0 ACAELP [NH3+][C@H]1C=C(Cc2cccnc2)C[NH2+]C1 675078149 537797464 /nfs/dbraw/zinc/79/74/64/537797464.db2.gz WIVRCTJSKVWYNG-NSHDSACASA-N 2 2 189.262 0.481 10 0 ACAELP Cc1ccc(C2=C[C@H]([NH3+])C[NH2+]C2)cn1 675077794 537797501 /nfs/dbraw/zinc/79/75/01/537797501.db2.gz RHHFJBFLDMMOEH-NSHDSACASA-N 2 2 189.262 0.704 10 0 ACAELP [NH3+][C@H]1C=C(Cc2ccns2)C[NH2+]C1 675077602 537797567 /nfs/dbraw/zinc/79/75/67/537797567.db2.gz GKVPPGKXFBGRMP-QMMMGPOBSA-N 2 2 195.291 0.543 10 0 ACAELP [NH3+][C@H]1C=C(c2cscn2)C[NH2+]C1 675077980 537797687 /nfs/dbraw/zinc/79/76/87/537797687.db2.gz LRDSNUQJOKLNKQ-ZETCQYMHSA-N 2 2 181.264 0.457 10 0 ACAELP [NH3+][C@@H]1C=C(c2ccoc2)C[NH2+]C1 675077714 537797722 /nfs/dbraw/zinc/79/77/22/537797722.db2.gz HOCBTNTYHXWYIM-SECBINFHSA-N 2 2 164.208 0.594 10 0 ACAELP Cc1cocc1C1=C[C@@H]([NH3+])C[NH2+]C1 675077745 537797873 /nfs/dbraw/zinc/79/78/73/537797873.db2.gz HVFFIAZRQRFOIU-SECBINFHSA-N 2 2 178.235 0.902 10 0 ACAELP [NH3+][C@H]1C=C(c2nccs2)C[NH2+]C1 675077846 537797922 /nfs/dbraw/zinc/79/79/22/537797922.db2.gz JEUKKOYDQKUEHT-ZETCQYMHSA-N 2 2 181.264 0.457 10 0 ACAELP [NH3+][C@@H]1C=C(c2nccs2)C[NH2+]C1 675077842 537798183 /nfs/dbraw/zinc/79/81/83/537798183.db2.gz JEUKKOYDQKUEHT-SSDOTTSWSA-N 2 2 181.264 0.457 10 0 ACAELP [NH3+][C@@H]1C=C(c2cnsc2)C[NH2+]C1 675077706 537798226 /nfs/dbraw/zinc/79/82/26/537798226.db2.gz HNEBEOFJGLSPGL-MRVPVSSYSA-N 2 2 181.264 0.457 10 0 ACAELP Cc1cc(C2=C[C@H]([NH3+])C[NH2+]C2)sn1 675077997 537798290 /nfs/dbraw/zinc/79/82/90/537798290.db2.gz LVPZZCCXUKTPCI-QMMMGPOBSA-N 2 2 195.291 0.765 10 0 ACAELP CC(C)OCC1=C[C@@H]([NH3+])C[NH2+]C1 675077232 537798438 /nfs/dbraw/zinc/79/84/38/537798438.db2.gz BHBNATNKLQQFDE-SECBINFHSA-N 2 2 170.256 0.268 10 0 ACAELP Cc1cocc1C1=C[C@H]([NH3+])C[NH2+]C1 675077747 537798618 /nfs/dbraw/zinc/79/86/18/537798618.db2.gz HVFFIAZRQRFOIU-VIFPVBQESA-N 2 2 178.235 0.902 10 0 ACAELP CCn1cnc(C2=C[C@@H]([NH3+])C[NH2+]C2)c1 675077855 537798830 /nfs/dbraw/zinc/79/88/30/537798830.db2.gz JHJKPUDIAJWLGP-SECBINFHSA-N 2 2 192.266 0.217 10 0 ACAELP [NH3+][C@@H]1C=C(c2ccncc2F)C[NH2+]C1 675077748 537798899 /nfs/dbraw/zinc/79/88/99/537798899.db2.gz HXFYWBFGNPWBOO-MRVPVSSYSA-N 2 2 193.225 0.535 10 0 ACAELP Cc1nc(C2=C[C@@H]([NH3+])C[NH2+]C2)cn1C 675077579 537798961 /nfs/dbraw/zinc/79/89/61/537798961.db2.gz GESXIOFREHDAGM-SECBINFHSA-N 2 2 192.266 0.042 10 0 ACAELP [NH3+][C@H]1C=C(c2ccncc2F)C[NH2+]C1 675077749 537799062 /nfs/dbraw/zinc/79/90/62/537799062.db2.gz HXFYWBFGNPWBOO-QMMMGPOBSA-N 2 2 193.225 0.535 10 0 ACAELP CC(C)OCC1=C[C@H]([NH3+])C[NH2+]C1 675077233 537799183 /nfs/dbraw/zinc/79/91/83/537799183.db2.gz BHBNATNKLQQFDE-VIFPVBQESA-N 2 2 170.256 0.268 10 0 ACAELP [NH3+][C@@H]1C=C(c2ccc[nH]2)C[NH2+]C1 675077470 537799233 /nfs/dbraw/zinc/79/92/33/537799233.db2.gz FJSJCVPHGIZEQU-MRVPVSSYSA-N 2 2 163.224 0.329 10 0 ACAELP CCn1cnc(C2=C[C@H]([NH3+])C[NH2+]C2)c1 675077856 537799301 /nfs/dbraw/zinc/79/93/01/537799301.db2.gz JHJKPUDIAJWLGP-VIFPVBQESA-N 2 2 192.266 0.217 10 0 ACAELP Cc1csc(C2=C[C@@H]([NH3+])C[NH2+]C2)n1 675077306 537799361 /nfs/dbraw/zinc/79/93/61/537799361.db2.gz CFFLAQKWFLWNFH-MRVPVSSYSA-N 2 2 195.291 0.765 10 0 ACAELP [NH3+][C@H]1C=C(c2ccns2)C[NH2+]C1 675077666 537799428 /nfs/dbraw/zinc/79/94/28/537799428.db2.gz GYXJPQUQTUIWSE-ZETCQYMHSA-N 2 2 181.264 0.457 10 0 ACAELP [NH3+][C@@H]1C=C(Cc2ccns2)C[NH2+]C1 675077600 537799563 /nfs/dbraw/zinc/79/95/63/537799563.db2.gz GKVPPGKXFBGRMP-MRVPVSSYSA-N 2 2 195.291 0.543 10 0 ACAELP Cc1csc(C2=C[C@H]([NH3+])C[NH2+]C2)n1 675077310 537799703 /nfs/dbraw/zinc/79/97/03/537799703.db2.gz CFFLAQKWFLWNFH-QMMMGPOBSA-N 2 2 195.291 0.765 10 0 ACAELP [NH3+][C@@H]1C=C(c2cncs2)C[NH2+]C1 675077403 537799940 /nfs/dbraw/zinc/79/99/40/537799940.db2.gz DOXJIKDUUDGSLV-SSDOTTSWSA-N 2 2 181.264 0.457 10 0 ACAELP Cc1nc(C2=C[C@H]([NH3+])C[NH2+]C2)cn1C 675077581 537800056 /nfs/dbraw/zinc/80/00/56/537800056.db2.gz GESXIOFREHDAGM-VIFPVBQESA-N 2 2 192.266 0.042 10 0 ACAELP [NH3+][C@H]1C=C(Cc2cncs2)C[NH2+]C1 675077422 537800138 /nfs/dbraw/zinc/80/01/38/537800138.db2.gz DYWOBESYITYPEY-QMMMGPOBSA-N 2 2 195.291 0.543 10 0 ACAELP Cc1cncc(C2=C[C@@H]([NH3+])C[NH2+]C2)c1 675077948 537800148 /nfs/dbraw/zinc/80/01/48/537800148.db2.gz KKRSCMWLXBGCCG-LLVKDONJSA-N 2 2 189.262 0.704 10 0 ACAELP [NH3+][C@H]1C=C(c2cnsc2)C[NH2+]C1 675077707 537800213 /nfs/dbraw/zinc/80/02/13/537800213.db2.gz HNEBEOFJGLSPGL-QMMMGPOBSA-N 2 2 181.264 0.457 10 0 ACAELP [NH3+][C@@H]1C=C(Cc2cncs2)C[NH2+]C1 675077420 537800337 /nfs/dbraw/zinc/80/03/37/537800337.db2.gz DYWOBESYITYPEY-MRVPVSSYSA-N 2 2 195.291 0.543 10 0 ACAELP Cc1ccc(C2=C[C@@H]([NH3+])C[NH2+]C2)cn1 675077793 537800373 /nfs/dbraw/zinc/80/03/73/537800373.db2.gz RHHFJBFLDMMOEH-LLVKDONJSA-N 2 2 189.262 0.704 10 0 ACAELP Cc1coc(C2=C[C@@H]([NH3+])C[NH2+]C2)c1 675077641 537800498 /nfs/dbraw/zinc/80/04/98/537800498.db2.gz GRQLXBDXFZGBTQ-SECBINFHSA-N 2 2 178.235 0.902 10 0 ACAELP Cc1cncc(C2=C[C@H]([NH3+])C[NH2+]C2)c1 675077949 537800524 /nfs/dbraw/zinc/80/05/24/537800524.db2.gz KKRSCMWLXBGCCG-NSHDSACASA-N 2 2 189.262 0.704 10 0 ACAELP [NH3+][C@@H]1C=C(Cc2ccncc2)C[NH2+]C1 675077773 537800555 /nfs/dbraw/zinc/80/05/55/537800555.db2.gz IKEWUOYHILLCSE-LLVKDONJSA-N 2 2 189.262 0.481 10 0 ACAELP Cc1cc(C2=C[C@@H]([NH3+])C[NH2+]C2)sn1 675077996 537800811 /nfs/dbraw/zinc/80/08/11/537800811.db2.gz LVPZZCCXUKTPCI-MRVPVSSYSA-N 2 2 195.291 0.765 10 0 ACAELP Cc1ncsc1C1=C[C@H]([NH3+])C[NH2+]C1 675077976 537800923 /nfs/dbraw/zinc/80/09/23/537800923.db2.gz LMKLGOGIUNKMRO-QMMMGPOBSA-N 2 2 195.291 0.765 10 0 ACAELP Cc1cnn(C)c1C1=C[C@@H]([NH3+])C[NH2+]C1 675078410 537801421 /nfs/dbraw/zinc/80/14/21/537801421.db2.gz YDIXTVYZWFZGDI-SECBINFHSA-N 2 2 192.266 0.042 10 0 ACAELP [NH3+][C@H]1C=C(Cc2cscn2)C[NH2+]C1 675078334 537801632 /nfs/dbraw/zinc/80/16/32/537801632.db2.gz OTCNOKATYYNMOH-QMMMGPOBSA-N 2 2 195.291 0.543 10 0 ACAELP [NH3+][C@@H]1C=C(Cc2cscn2)C[NH2+]C1 675078283 537801710 /nfs/dbraw/zinc/80/17/10/537801710.db2.gz OTCNOKATYYNMOH-MRVPVSSYSA-N 2 2 195.291 0.543 10 0 ACAELP Cc1nn(C)cc1C1=C[C@H]([NH3+])C[NH2+]C1 675078339 537802051 /nfs/dbraw/zinc/80/20/51/537802051.db2.gz OUESPIWBXPGVIT-VIFPVBQESA-N 2 2 192.266 0.042 10 0 ACAELP Cc1cnn(C)c1C1=C[C@H]([NH3+])C[NH2+]C1 675078412 537802108 /nfs/dbraw/zinc/80/21/08/537802108.db2.gz YDIXTVYZWFZGDI-VIFPVBQESA-N 2 2 192.266 0.042 10 0 ACAELP Cc1ccncc1C1=C[C@H]([NH3+])C[NH2+]C1 675078368 537802203 /nfs/dbraw/zinc/80/22/03/537802203.db2.gz PBLADBFBMDEPOF-JTQLQIEISA-N 2 2 189.262 0.704 10 0 ACAELP Cc1nn(C)cc1C1=C[C@@H]([NH3+])C[NH2+]C1 675078335 537802327 /nfs/dbraw/zinc/80/23/27/537802327.db2.gz OUESPIWBXPGVIT-SECBINFHSA-N 2 2 192.266 0.042 10 0 ACAELP Cc1ccncc1C1=C[C@@H]([NH3+])C[NH2+]C1 675078369 537802397 /nfs/dbraw/zinc/80/23/97/537802397.db2.gz PBLADBFBMDEPOF-SNVBAGLBSA-N 2 2 189.262 0.704 10 0 ACAELP Cc1cc(C2=C[C@@H]([NH3+])C[NH2+]C2)co1 675079394 537803529 /nfs/dbraw/zinc/80/35/29/537803529.db2.gz YFWBGMHCDRJRAU-SNVBAGLBSA-N 2 2 178.235 0.902 10 0 ACAELP CCC[NH2+][C@H]1CC[N@H+](CCOC)C1 37242045 537810588 /nfs/dbraw/zinc/81/05/88/537810588.db2.gz YEIYPCUOTWEVRQ-JTQLQIEISA-N 2 2 186.299 0.707 10 0 ACAELP CCC[NH2+][C@H]1CC[N@@H+](CCOC)C1 37242045 537810596 /nfs/dbraw/zinc/81/05/96/537810596.db2.gz YEIYPCUOTWEVRQ-JTQLQIEISA-N 2 2 186.299 0.707 10 0 ACAELP CCC[NH2+][C@@H]1CC[N@H+](CCOC)C1 37242043 537812244 /nfs/dbraw/zinc/81/22/44/537812244.db2.gz YEIYPCUOTWEVRQ-SNVBAGLBSA-N 2 2 186.299 0.707 10 0 ACAELP CCC[NH2+][C@@H]1CC[N@@H+](CCOC)C1 37242043 537812248 /nfs/dbraw/zinc/81/22/48/537812248.db2.gz YEIYPCUOTWEVRQ-SNVBAGLBSA-N 2 2 186.299 0.707 10 0 ACAELP COC1C[NH+](C2[C@H](C)C[NH2+]C[C@H]2C)C1 685950817 537830822 /nfs/dbraw/zinc/83/08/22/537830822.db2.gz DNKCZRJLMYEQNR-RKDXNWHRSA-N 2 2 198.310 0.561 10 0 ACAELP C[C@H]1C[NH2+]C[C@@H](C)[C@@H]1[NH+]1CCOCC1 685951470 537830971 /nfs/dbraw/zinc/83/09/71/537830971.db2.gz VGWFOYIEGUPFAI-URLYPYJESA-N 2 2 198.310 0.563 10 0 ACAELP C[C@@H]1C[NH2+]C[C@@H](C)C1[NH+]1CCOCC1 685951468 537831806 /nfs/dbraw/zinc/83/18/06/537831806.db2.gz VGWFOYIEGUPFAI-NXEZZACHSA-N 2 2 198.310 0.563 10 0 ACAELP COC1C[NH+](C2[C@@H](C)C[NH2+]C[C@@H]2C)C1 685950808 537832050 /nfs/dbraw/zinc/83/20/50/537832050.db2.gz DNKCZRJLMYEQNR-IUCAKERBSA-N 2 2 198.310 0.561 10 0 ACAELP C[C@H]1C[NH2+]C[C@H](C)C1[NH+]1CCOCC1 685951472 537832116 /nfs/dbraw/zinc/83/21/16/537832116.db2.gz VGWFOYIEGUPFAI-UWVGGRQHSA-N 2 2 198.310 0.563 10 0 ACAELP COC1C[NH+]([C@@H]2[C@@H](C)C[NH2+]C[C@H]2C)C1 685950816 537832591 /nfs/dbraw/zinc/83/25/91/537832591.db2.gz DNKCZRJLMYEQNR-JZYVYDRUSA-N 2 2 198.310 0.561 10 0 ACAELP CN1CC[C@@H]([NH3+])[C@@]12C[NH+]1CCC2CC1 685952641 537834753 /nfs/dbraw/zinc/83/47/53/537834753.db2.gz BHQNMNSVWMBJGD-MNOVXSKESA-N 2 2 195.310 0.114 10 0 ACAELP C[N@@H+]1CC[C@@H]([NH3+])[C@@]12CN1CCC2CC1 685952641 537834762 /nfs/dbraw/zinc/83/47/62/537834762.db2.gz BHQNMNSVWMBJGD-MNOVXSKESA-N 2 2 195.310 0.114 10 0 ACAELP C[N@H+]1CC[C@@H]([NH3+])[C@@]12CN1CCC2CC1 685952641 537834765 /nfs/dbraw/zinc/83/47/65/537834765.db2.gz BHQNMNSVWMBJGD-MNOVXSKESA-N 2 2 195.310 0.114 10 0 ACAELP C[N@@H+]1CC[C@H]([NH3+])[C@]12CN1CCC2CC1 685952646 537835353 /nfs/dbraw/zinc/83/53/53/537835353.db2.gz BHQNMNSVWMBJGD-WDEREUQCSA-N 2 2 195.310 0.114 10 0 ACAELP CN1CC[C@H]([NH3+])[C@]12C[NH+]1CCC2CC1 685952646 537835346 /nfs/dbraw/zinc/83/53/46/537835346.db2.gz BHQNMNSVWMBJGD-WDEREUQCSA-N 2 2 195.310 0.114 10 0 ACAELP C[N@H+]1CC[C@H]([NH3+])[C@]12CN1CCC2CC1 685952646 537835362 /nfs/dbraw/zinc/83/53/62/537835362.db2.gz BHQNMNSVWMBJGD-WDEREUQCSA-N 2 2 195.310 0.114 10 0 ACAELP CN1CC[C@H]([NH3+])[C@@]12C[NH+]1CCC2CC1 685952644 537835431 /nfs/dbraw/zinc/83/54/31/537835431.db2.gz BHQNMNSVWMBJGD-QWRGUYRKSA-N 2 2 195.310 0.114 10 0 ACAELP C[N@@H+]1CC[C@H]([NH3+])[C@@]12CN1CCC2CC1 685952644 537835439 /nfs/dbraw/zinc/83/54/39/537835439.db2.gz BHQNMNSVWMBJGD-QWRGUYRKSA-N 2 2 195.310 0.114 10 0 ACAELP C[N@H+]1CC[C@H]([NH3+])[C@@]12CN1CCC2CC1 685952644 537835444 /nfs/dbraw/zinc/83/54/44/537835444.db2.gz BHQNMNSVWMBJGD-QWRGUYRKSA-N 2 2 195.310 0.114 10 0 ACAELP CN1CC[C@@H]([NH3+])[C@]12C[NH+]1CCC2CC1 685952639 537836300 /nfs/dbraw/zinc/83/63/00/537836300.db2.gz BHQNMNSVWMBJGD-GHMZBOCLSA-N 2 2 195.310 0.114 10 0 ACAELP C[N@@H+]1CC[C@@H]([NH3+])[C@]12CN1CCC2CC1 685952639 537836307 /nfs/dbraw/zinc/83/63/07/537836307.db2.gz BHQNMNSVWMBJGD-GHMZBOCLSA-N 2 2 195.310 0.114 10 0 ACAELP C[N@H+]1CC[C@@H]([NH3+])[C@]12CN1CCC2CC1 685952639 537836311 /nfs/dbraw/zinc/83/63/11/537836311.db2.gz BHQNMNSVWMBJGD-GHMZBOCLSA-N 2 2 195.310 0.114 10 0 ACAELP C[N@@H+]1CC[C@H]([NH3+])C12CCC(=O)CC2 685953479 537839114 /nfs/dbraw/zinc/83/91/14/537839114.db2.gz HMINBIWQNNBOSI-VIFPVBQESA-N 2 2 182.267 0.531 10 0 ACAELP C[N@H+]1CC[C@H]([NH3+])C12CCC(=O)CC2 685953479 537839124 /nfs/dbraw/zinc/83/91/24/537839124.db2.gz HMINBIWQNNBOSI-VIFPVBQESA-N 2 2 182.267 0.531 10 0 ACAELP CC[N@@H+]1CC[C@H]([NH3+])C12CC[NH2+]CC2 685953832 537839423 /nfs/dbraw/zinc/83/94/23/537839423.db2.gz IVMJKFYTKILUCM-VIFPVBQESA-N 3 2 183.299 0.162 10 0 ACAELP CC[N@H+]1CC[C@H]([NH3+])C12CC[NH2+]CC2 685953832 537839436 /nfs/dbraw/zinc/83/94/36/537839436.db2.gz IVMJKFYTKILUCM-VIFPVBQESA-N 3 2 183.299 0.162 10 0 ACAELP C[N@@H+]1CC[C@@H]([NH3+])C12CCC(=O)CC2 685953478 537840230 /nfs/dbraw/zinc/84/02/30/537840230.db2.gz HMINBIWQNNBOSI-SECBINFHSA-N 2 2 182.267 0.531 10 0 ACAELP C[N@H+]1CC[C@@H]([NH3+])C12CCC(=O)CC2 685953478 537840234 /nfs/dbraw/zinc/84/02/34/537840234.db2.gz HMINBIWQNNBOSI-SECBINFHSA-N 2 2 182.267 0.531 10 0 ACAELP CC(C)[N@@H+]1CC[C@@H]([NH3+])C12CC[NH2+]CC2 685953821 537840648 /nfs/dbraw/zinc/84/06/48/537840648.db2.gz IUZGPVKGHCDTBC-SNVBAGLBSA-N 3 2 197.326 0.550 10 0 ACAELP CC(C)[N@H+]1CC[C@@H]([NH3+])C12CC[NH2+]CC2 685953821 537840655 /nfs/dbraw/zinc/84/06/55/537840655.db2.gz IUZGPVKGHCDTBC-SNVBAGLBSA-N 3 2 197.326 0.550 10 0 ACAELP CC(C)[N@@H+]1CC[C@H]([NH3+])C12CC[NH2+]CC2 685953587 537841847 /nfs/dbraw/zinc/84/18/47/537841847.db2.gz IUZGPVKGHCDTBC-JTQLQIEISA-N 3 2 197.326 0.550 10 0 ACAELP CC(C)[N@H+]1CC[C@H]([NH3+])C12CC[NH2+]CC2 685953587 537841853 /nfs/dbraw/zinc/84/18/53/537841853.db2.gz IUZGPVKGHCDTBC-JTQLQIEISA-N 3 2 197.326 0.550 10 0 ACAELP CC[N@@H+]1CC[C@@H]([NH3+])C12CC[NH2+]CC2 685953826 537842479 /nfs/dbraw/zinc/84/24/79/537842479.db2.gz IVMJKFYTKILUCM-SECBINFHSA-N 3 2 183.299 0.162 10 0 ACAELP CC[N@H+]1CC[C@@H]([NH3+])C12CC[NH2+]CC2 685953826 537842483 /nfs/dbraw/zinc/84/24/83/537842483.db2.gz IVMJKFYTKILUCM-SECBINFHSA-N 3 2 183.299 0.162 10 0 ACAELP CC[N@@H+]1CC[C@H]([NH3+])C12CC[NH+](C)CC2 685954581 537847854 /nfs/dbraw/zinc/84/78/54/537847854.db2.gz OHOVEOBFWSFNNT-JTQLQIEISA-N 3 2 197.326 0.504 10 0 ACAELP CC[N@H+]1CC[C@H]([NH3+])C12CC[NH+](C)CC2 685954581 537847860 /nfs/dbraw/zinc/84/78/60/537847860.db2.gz OHOVEOBFWSFNNT-JTQLQIEISA-N 3 2 197.326 0.504 10 0 ACAELP C[N@H+](CC[NH3+])CCOc1ccccc1 43458052 537848985 /nfs/dbraw/zinc/84/89/85/537848985.db2.gz BTMAUBWOHPTJQB-UHFFFAOYSA-N 2 2 194.278 0.956 10 0 ACAELP C[N@@H+](CC[NH3+])CCOc1ccccc1 43458052 537848991 /nfs/dbraw/zinc/84/89/91/537848991.db2.gz BTMAUBWOHPTJQB-UHFFFAOYSA-N 2 2 194.278 0.956 10 0 ACAELP CC[N@@H+]1CC[C@@H]([NH3+])C12CC[NH+](C)CC2 685954582 537849461 /nfs/dbraw/zinc/84/94/61/537849461.db2.gz OHOVEOBFWSFNNT-SNVBAGLBSA-N 3 2 197.326 0.504 10 0 ACAELP CC[N@H+]1CC[C@@H]([NH3+])C12CC[NH+](C)CC2 685954582 537849467 /nfs/dbraw/zinc/84/94/67/537849467.db2.gz OHOVEOBFWSFNNT-SNVBAGLBSA-N 3 2 197.326 0.504 10 0 ACAELP CC[N@@H+]1CC[C@@H]([NH3+])[C@]12CCOC2 685955371 537851045 /nfs/dbraw/zinc/85/10/45/537851045.db2.gz YMXMSKULMCFOIJ-RKDXNWHRSA-N 2 2 170.256 0.198 10 0 ACAELP CC[N@H+]1CC[C@@H]([NH3+])[C@]12CCOC2 685955371 537851049 /nfs/dbraw/zinc/85/10/49/537851049.db2.gz YMXMSKULMCFOIJ-RKDXNWHRSA-N 2 2 170.256 0.198 10 0 ACAELP CC[N@@H+]1CC[C@@H]([NH3+])[C@@]12CCOC2 685955368 537851115 /nfs/dbraw/zinc/85/11/15/537851115.db2.gz YMXMSKULMCFOIJ-BDAKNGLRSA-N 2 2 170.256 0.198 10 0 ACAELP CC[N@H+]1CC[C@@H]([NH3+])[C@@]12CCOC2 685955368 537851121 /nfs/dbraw/zinc/85/11/21/537851121.db2.gz YMXMSKULMCFOIJ-BDAKNGLRSA-N 2 2 170.256 0.198 10 0 ACAELP CCC[N@@H+]1CC[C@@H]([NH3+])C12CC[NH2+]CC2 685955352 537852422 /nfs/dbraw/zinc/85/24/22/537852422.db2.gz YAHLVQHLNSBADG-SNVBAGLBSA-N 3 2 197.326 0.552 10 0 ACAELP CCC[N@H+]1CC[C@@H]([NH3+])C12CC[NH2+]CC2 685955352 537852432 /nfs/dbraw/zinc/85/24/32/537852432.db2.gz YAHLVQHLNSBADG-SNVBAGLBSA-N 3 2 197.326 0.552 10 0 ACAELP CC[N@@H+]1CC[C@H]([NH3+])[C@@]12CCOC2 685955370 537852647 /nfs/dbraw/zinc/85/26/47/537852647.db2.gz YMXMSKULMCFOIJ-IUCAKERBSA-N 2 2 170.256 0.198 10 0 ACAELP CC[N@H+]1CC[C@H]([NH3+])[C@@]12CCOC2 685955370 537852653 /nfs/dbraw/zinc/85/26/53/537852653.db2.gz YMXMSKULMCFOIJ-IUCAKERBSA-N 2 2 170.256 0.198 10 0 ACAELP CCC[N@@H+]1CC[C@H]([NH3+])C12CC[NH2+]CC2 685955351 537852800 /nfs/dbraw/zinc/85/28/00/537852800.db2.gz YAHLVQHLNSBADG-JTQLQIEISA-N 3 2 197.326 0.552 10 0 ACAELP CCC[N@H+]1CC[C@H]([NH3+])C12CC[NH2+]CC2 685955351 537852806 /nfs/dbraw/zinc/85/28/06/537852806.db2.gz YAHLVQHLNSBADG-JTQLQIEISA-N 3 2 197.326 0.552 10 0 ACAELP CC[N@@H+]1CC[C@H]([NH3+])[C@]12CCOC2 685955369 537853054 /nfs/dbraw/zinc/85/30/54/537853054.db2.gz YMXMSKULMCFOIJ-DTWKUNHWSA-N 2 2 170.256 0.198 10 0 ACAELP CC[N@H+]1CC[C@H]([NH3+])[C@]12CCOC2 685955369 537853061 /nfs/dbraw/zinc/85/30/61/537853061.db2.gz YMXMSKULMCFOIJ-DTWKUNHWSA-N 2 2 170.256 0.198 10 0 ACAELP C[NH2+]CC(F)(F)Cn1cc[nH+]c1 685957201 537854458 /nfs/dbraw/zinc/85/44/58/537854458.db2.gz UTMPURZZDMFPCC-UHFFFAOYSA-N 2 2 175.182 0.738 10 0 ACAELP [NH3+]CC(F)(F)C[N@@H+]1CC[C@H]2C[C@H]2C1 685956363 537854550 /nfs/dbraw/zinc/85/45/50/537854550.db2.gz CNNXXJUYZHAMPV-YUMQZZPRSA-N 2 2 190.237 0.922 10 0 ACAELP [NH3+]CC(F)(F)C[N@H+]1CC[C@H]2C[C@H]2C1 685956363 537854563 /nfs/dbraw/zinc/85/45/63/537854563.db2.gz CNNXXJUYZHAMPV-YUMQZZPRSA-N 2 2 190.237 0.922 10 0 ACAELP [NH3+]CC(F)(F)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 685956360 537855883 /nfs/dbraw/zinc/85/58/83/537855883.db2.gz CNNXXJUYZHAMPV-HTQZYQBOSA-N 2 2 190.237 0.922 10 0 ACAELP [NH3+]CC(F)(F)C[N@H+]1CC[C@@H]2C[C@@H]2C1 685956360 537855893 /nfs/dbraw/zinc/85/58/93/537855893.db2.gz CNNXXJUYZHAMPV-HTQZYQBOSA-N 2 2 190.237 0.922 10 0 ACAELP C[N@@H+]1CCc2onc(C[NH3+])c2C1 82402495 537880634 /nfs/dbraw/zinc/88/06/34/537880634.db2.gz DODIHWXTBUBPCS-UHFFFAOYSA-N 2 2 167.212 0.121 10 0 ACAELP C[N@H+]1CCc2onc(C[NH3+])c2C1 82402495 537880648 /nfs/dbraw/zinc/88/06/48/537880648.db2.gz DODIHWXTBUBPCS-UHFFFAOYSA-N 2 2 167.212 0.121 10 0 ACAELP COC(=O)[C@H]([NH3+])Cn1cc(C)[nH+]c1C 715070730 537883552 /nfs/dbraw/zinc/88/35/52/537883552.db2.gz MDKXNYPJHIYZGQ-MRVPVSSYSA-N 2 2 197.238 0.000 10 0 ACAELP COC(=O)[C@@H]([NH3+])Cn1cc(C)[nH+]c1C 715070732 537885435 /nfs/dbraw/zinc/88/54/35/537885435.db2.gz MDKXNYPJHIYZGQ-QMMMGPOBSA-N 2 2 197.238 0.000 10 0 ACAELP C[C@H](C[C@@](C)([NH3+])C(N)=O)n1cc[nH+]c1 82800156 537888940 /nfs/dbraw/zinc/88/89/40/537888940.db2.gz FFHHKIANJBFQSI-VXNVDRBHSA-N 2 2 196.254 0.037 10 0 ACAELP C[C@H](C[C@](C)([NH3+])C(N)=O)n1cc[nH+]c1 82800152 537889438 /nfs/dbraw/zinc/88/94/38/537889438.db2.gz FFHHKIANJBFQSI-APPZFPTMSA-N 2 2 196.254 0.037 10 0 ACAELP C[C@@H](C[C@@](C)([NH3+])C(N)=O)n1cc[nH+]c1 82800155 537890753 /nfs/dbraw/zinc/89/07/53/537890753.db2.gz FFHHKIANJBFQSI-IONNQARKSA-N 2 2 196.254 0.037 10 0 ACAELP [NH3+]CC[C@H](O)c1c[nH+]c2n1CCC2 82874091 537895594 /nfs/dbraw/zinc/89/55/94/537895594.db2.gz FXRDTUWVKXTWQB-QMMMGPOBSA-N 2 2 181.239 0.212 10 0 ACAELP CC[N@@H+]1CCC(=O)[C@]2(C[NH2+]C[C@@H]2C)C1 725245416 537897643 /nfs/dbraw/zinc/89/76/43/537897643.db2.gz HYZUQLQZTQTALP-GXSJLCMTSA-N 2 2 196.294 0.507 10 0 ACAELP C[C@@H](C[C@](C)([NH3+])C(N)=O)n1cc[nH+]c1 82800151 537891696 /nfs/dbraw/zinc/89/16/96/537891696.db2.gz FFHHKIANJBFQSI-CBAPKCEASA-N 2 2 196.254 0.037 10 0 ACAELP [NH3+]CC[C@@H](O)c1c[nH+]c2n1CCC2 82874090 537894021 /nfs/dbraw/zinc/89/40/21/537894021.db2.gz FXRDTUWVKXTWQB-MRVPVSSYSA-N 2 2 181.239 0.212 10 0 ACAELP C[C@@H]1C[NH2+]C[C@@]12C[N@H+](C)CCC2=O 725246436 537895212 /nfs/dbraw/zinc/89/52/12/537895212.db2.gz VXHYOZFCJLHKEU-PSASIEDQSA-N 2 2 182.267 0.117 10 0 ACAELP C[C@@H]1C[NH2+]C[C@@]12C[N@@H+](C)CCC2=O 725246436 537895219 /nfs/dbraw/zinc/89/52/19/537895219.db2.gz VXHYOZFCJLHKEU-PSASIEDQSA-N 2 2 182.267 0.117 10 0 ACAELP CC[N@@H+]1CCC(=O)[C@@]2(C[NH2+]C[C@H]2C)C1 725245420 537895548 /nfs/dbraw/zinc/89/55/48/537895548.db2.gz HYZUQLQZTQTALP-KOLCDFICSA-N 2 2 196.294 0.507 10 0 ACAELP CC[N@H+]1CCC(=O)[C@@]2(C[NH2+]C[C@H]2C)C1 725245420 537895552 /nfs/dbraw/zinc/89/55/52/537895552.db2.gz HYZUQLQZTQTALP-KOLCDFICSA-N 2 2 196.294 0.507 10 0 ACAELP CC[N@@H+]1CCC(=O)[C@]2(C[NH2+]C[C@H]2C)C1 725245422 537896853 /nfs/dbraw/zinc/89/68/53/537896853.db2.gz HYZUQLQZTQTALP-MWLCHTKSSA-N 2 2 196.294 0.507 10 0 ACAELP CC[N@H+]1CCC(=O)[C@]2(C[NH2+]C[C@H]2C)C1 725245422 537896861 /nfs/dbraw/zinc/89/68/61/537896861.db2.gz HYZUQLQZTQTALP-MWLCHTKSSA-N 2 2 196.294 0.507 10 0 ACAELP C[C@H]1C[NH2+]C[C@]12C[N@H+](C)CCC2=O 725246441 537897287 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CUFZSOJHGSJVHD-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP CCCC[NH2+][C@H]1C[NH2+]CC[C@H]1O 675058506 538449645 /nfs/dbraw/zinc/44/96/45/538449645.db2.gz JNJNNWYFWFEWIH-DTWKUNHWSA-N 2 2 172.272 0.099 10 0 ACAELP Cc1ncsc1[C@@H]1C[NH2+]C[C@H]1[NH3+] 675062319 538449844 /nfs/dbraw/zinc/44/98/44/538449844.db2.gz BSZDXIZBCDCHSA-RNFRBKRXSA-N 2 2 183.280 0.466 10 0 ACAELP Cc1ncsc1[C@H]1C[NH2+]C[C@@H]1[NH3+] 675062312 538449954 /nfs/dbraw/zinc/44/99/54/538449954.db2.gz BSZDXIZBCDCHSA-BQBZGAKWSA-N 2 2 183.280 0.466 10 0 ACAELP Cc1ncsc1[C@@H]1C[NH2+]C[C@@H]1[NH3+] 675062321 538449994 /nfs/dbraw/zinc/44/99/94/538449994.db2.gz BSZDXIZBCDCHSA-RQJHMYQMSA-N 2 2 183.280 0.466 10 0 ACAELP Cc1ncsc1[C@H]1C[NH2+]C[C@H]1[NH3+] 675062318 538450042 /nfs/dbraw/zinc/45/00/42/538450042.db2.gz BSZDXIZBCDCHSA-NKWVEPMBSA-N 2 2 183.280 0.466 10 0 ACAELP [NH3+][C@@H]1C[NH2+]C[C@H]1c1cncs1 675062728 538450328 /nfs/dbraw/zinc/45/03/28/538450328.db2.gz NBYULXWAAROUCK-PHDIDXHHSA-N 2 2 169.253 0.157 10 0 ACAELP 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ORKGUTCLIPUOBW-VHSXEESVSA-N 2 2 184.283 0.195 10 0 ACAELP Cc1noc(C)c1[C@H]1C[NH2+]C[C@H]1[NH3+] 211434203 541316205 /nfs/dbraw/zinc/31/62/05/541316205.db2.gz GPQBHOBCOPKVOB-JGVFFNPUSA-N 2 2 181.239 0.306 10 0 ACAELP Cc1noc(C)c1[C@@H]1C[NH2+]C[C@H]1[NH3+] 211434131 541316238 /nfs/dbraw/zinc/31/62/38/541316238.db2.gz GPQBHOBCOPKVOB-HTQZYQBOSA-N 2 2 181.239 0.306 10 0 ACAELP Cc1noc(C)c1[C@@H]1C[NH2+]C[C@@H]1[NH3+] 211433971 541316290 /nfs/dbraw/zinc/31/62/90/541316290.db2.gz GPQBHOBCOPKVOB-SFYZADRCSA-N 2 2 181.239 0.306 10 0 ACAELP Cc1noc(C)c1[C@H]1C[NH2+]C[C@@H]1[NH3+] 211434050 541316309 /nfs/dbraw/zinc/31/63/09/541316309.db2.gz GPQBHOBCOPKVOB-YUMQZZPRSA-N 2 2 181.239 0.306 10 0 ACAELP [NH3+]Cc1nc(C[NH+]2CCC2)cs1 307022503 541330479 /nfs/dbraw/zinc/33/04/79/541330479.db2.gz CYGJSMZVCVNDSB-UHFFFAOYSA-N 2 2 183.280 0.808 10 0 ACAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@@H](C)O 388359131 541342226 /nfs/dbraw/zinc/34/22/26/541342226.db2.gz RXDVSHWABGDBIG-IVZWLZJFSA-N 2 2 186.299 0.297 10 0 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C[C@@H](O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 388359135 541342451 /nfs/dbraw/zinc/34/24/51/541342451.db2.gz RXDVSHWABGDBIG-OPRDCNLKSA-N 2 2 186.299 0.297 10 0 ACAELP C[NH+](C)Cc1nc([C@@H]2CC[NH2+]C2)no1 669380905 541348834 /nfs/dbraw/zinc/34/88/34/541348834.db2.gz RUGCRAFQUUNZNA-SSDOTTSWSA-N 2 2 196.254 0.208 10 0 ACAELP C[NH+](C)Cc1nc([C@H]2CC[NH2+]C2)no1 669380906 541349904 /nfs/dbraw/zinc/34/99/04/541349904.db2.gz RUGCRAFQUUNZNA-ZETCQYMHSA-N 2 2 196.254 0.208 10 0 ACAELP CC1CC[NH+]([C@@H]2C[NH2+]CC[C@H]2O)CC1 675060240 541351180 /nfs/dbraw/zinc/35/11/80/541351180.db2.gz CKHJOIBENHPIAZ-GHMZBOCLSA-N 2 2 198.310 0.441 10 0 ACAELP CC1CC[NH+]([C@@H]2C[NH2+]CC[C@@H]2O)CC1 675060241 541351411 /nfs/dbraw/zinc/35/14/11/541351411.db2.gz CKHJOIBENHPIAZ-MNOVXSKESA-N 2 2 198.310 0.441 10 0 ACAELP CC1CC[NH+]([C@H]2C[NH2+]CC[C@H]2O)CC1 675060244 541351458 /nfs/dbraw/zinc/35/14/58/541351458.db2.gz CKHJOIBENHPIAZ-WDEREUQCSA-N 2 2 198.310 0.441 10 0 ACAELP O[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCCCC1 675060480 541351720 /nfs/dbraw/zinc/35/17/20/541351720.db2.gz HWFYHCOSXCZOBZ-GHMZBOCLSA-N 2 2 198.310 0.632 10 0 ACAELP CCC(CC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1O 675060728 541351996 /nfs/dbraw/zinc/35/19/96/541351996.db2.gz NGLJMSMRNCYRQA-ZJUUUORDSA-N 2 2 186.299 0.487 10 0 ACAELP CCC(CC)[NH2+][C@@H]1C[NH2+]CC[C@H]1O 675060726 541352147 /nfs/dbraw/zinc/35/21/47/541352147.db2.gz NGLJMSMRNCYRQA-NXEZZACHSA-N 2 2 186.299 0.487 10 0 ACAELP O[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCCCC1 675060482 541352186 /nfs/dbraw/zinc/35/21/86/541352186.db2.gz HWFYHCOSXCZOBZ-WDEREUQCSA-N 2 2 198.310 0.632 10 0 ACAELP CC(C)(C)[NH2+][C@H]1C[NH2+]CC[C@H]1O 675061006 541352205 /nfs/dbraw/zinc/35/22/05/541352205.db2.gz VFMVCVHSKJLQDA-JGVFFNPUSA-N 2 2 172.272 0.097 10 0 ACAELP O[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCCCC1 675060481 541352270 /nfs/dbraw/zinc/35/22/70/541352270.db2.gz HWFYHCOSXCZOBZ-MNOVXSKESA-N 2 2 198.310 0.632 10 0 ACAELP CCC(CC)[NH2+][C@H]1C[NH2+]CC[C@H]1O 675060727 541352293 /nfs/dbraw/zinc/35/22/93/541352293.db2.gz NGLJMSMRNCYRQA-VHSXEESVSA-N 2 2 186.299 0.487 10 0 ACAELP CC(C)(C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1O 675061007 541352452 /nfs/dbraw/zinc/35/24/52/541352452.db2.gz VFMVCVHSKJLQDA-SFYZADRCSA-N 2 2 172.272 0.097 10 0 ACAELP CC(C)(C)[NH2+][C@@H]1C[NH2+]CC[C@H]1O 675061005 541352468 /nfs/dbraw/zinc/35/24/68/541352468.db2.gz VFMVCVHSKJLQDA-HTQZYQBOSA-N 2 2 172.272 0.097 10 0 ACAELP Cc1cc(C2=C[C@H]([NH3+])C[NH2+]C2)co1 675079391 541353200 /nfs/dbraw/zinc/35/32/00/541353200.db2.gz YFWBGMHCDRJRAU-JTQLQIEISA-N 2 2 178.235 0.902 10 0 ACAELP CC[NH2+][C@]1(CCO)CCC[N@H+](C)C1 134367272 571716455 /nfs/dbraw/zinc/71/64/55/571716455.db2.gz VEFPZPOBXANRCR-JTQLQIEISA-N 2 2 186.299 0.443 10 0 ACAELP O[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)C1CC1 70883119 571736368 /nfs/dbraw/zinc/73/63/68/571736368.db2.gz MBCMHRSEYFVNDR-ZJUUUORDSA-N 2 2 184.283 0.099 10 0 ACAELP C[C@H](CC[NH3+])[NH2+]Cc1cnsn1 220483161 571736379 /nfs/dbraw/zinc/73/63/79/571736379.db2.gz 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197.326 0.504 10 0 ACAELP Cc1[nH]c([C@@H]2C[NH2+]CCC2=O)c(C)[nH+]1 74247939 573290688 /nfs/dbraw/zinc/29/06/88/573290688.db2.gz LWWRBGMUNYMHRG-MRVPVSSYSA-N 2 2 193.250 0.673 10 0 ACAELP C[NH+](C)C[C@H](CO)[NH2+]CC1CCC1 716689389 573290898 /nfs/dbraw/zinc/29/08/98/573290898.db2.gz IXKBZOSUVRFUFY-SNVBAGLBSA-N 2 2 186.299 0.299 10 0 ACAELP Cc1ccc(CN(C)C[C@H]([NH3+])C[NH3+])o1 259072053 573294163 /nfs/dbraw/zinc/29/41/63/573294163.db2.gz QSHTVIFJZLXHRZ-SECBINFHSA-N 2 2 197.282 0.306 10 0 ACAELP Cc1cc(-n2cc[nH+]c2C)nc(N)[nH+]1 74275917 573294302 /nfs/dbraw/zinc/29/43/02/573294302.db2.gz VNEVTQGHTKOAAA-UHFFFAOYSA-N 2 2 189.222 0.861 10 0 ACAELP [NH3+][C@]1(CC[NH+]2CCCC2)CC[NH2+]C1 221332909 573298172 /nfs/dbraw/zinc/29/81/72/573298172.db2.gz DFCGILUNHAEWIS-JTQLQIEISA-N 3 2 183.299 0.163 10 0 ACAELP C[C@@]1(CC[NH+]2CCOCC2)CCC[NH2+]1 258253128 573308148 /nfs/dbraw/zinc/30/81/48/573308148.db2.gz QTOOSUULFCUNEZ-NSHDSACASA-N 2 2 198.310 0.851 10 0 ACAELP C[C@@H]1CC[NH2+]CC[N@@H+]1C[C@@H]1CCOC1 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258020331 573406234 /nfs/dbraw/zinc/40/62/34/573406234.db2.gz NKRXTSNHKQCNCK-SSDOTTSWSA-N 2 2 198.270 0.454 10 0 ACAELP Cc1[nH]ncc1C[NH2+][C@H]1CC[C@@H]([NH3+])C1 86399455 573407916 /nfs/dbraw/zinc/40/79/16/573407916.db2.gz FSHSUCGPUQVSOX-ZJUUUORDSA-N 2 2 194.282 0.688 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@H+](C)C(C)(C)CO 133488673 573410065 /nfs/dbraw/zinc/41/00/65/573410065.db2.gz BYYCBVDFGOLYOW-LURJTMIESA-N 2 2 173.260 0.014 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@@H+](C)C(C)(C)CO 133488673 573410071 /nfs/dbraw/zinc/41/00/71/573410071.db2.gz BYYCBVDFGOLYOW-LURJTMIESA-N 2 2 173.260 0.014 10 0 ACAELP C[NH2+][C@H]1CC[N@H+](C)[C@@H]1C 107217373 573410098 /nfs/dbraw/zinc/41/00/98/573410098.db2.gz IJVBLKHRVGYSNN-RQJHMYQMSA-N 2 2 128.219 0.298 10 0 ACAELP C[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C 107217373 573410103 /nfs/dbraw/zinc/41/01/03/573410103.db2.gz IJVBLKHRVGYSNN-RQJHMYQMSA-N 2 2 128.219 0.298 10 0 ACAELP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c[nH]cn2)C1 86404719 573410186 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FKQLRFNSPSQWMH-SSDOTTSWSA-N 2 2 160.236 0.768 10 0 ACAELP COc1cccc2c1[C@H](C[NH3+])[NH2+]CC2 257816852 573454515 /nfs/dbraw/zinc/45/45/15/573454515.db2.gz DQEMNLFWPVFGJT-VIFPVBQESA-N 2 2 192.262 0.841 10 0 ACAELP OC[C@@H]1CCC[C@@H]1[N@@H+]1CCC[NH2+]CC1 215216041 573454573 /nfs/dbraw/zinc/45/45/73/573454573.db2.gz BTHJIYUBNVQBKO-QWRGUYRKSA-N 2 2 198.310 0.443 10 0 ACAELP OC[C@@H]1CCC[C@@H]1[N@H+]1CCC[NH2+]CC1 215216041 573454575 /nfs/dbraw/zinc/45/45/75/573454575.db2.gz BTHJIYUBNVQBKO-QWRGUYRKSA-N 2 2 198.310 0.443 10 0 ACAELP CC(C)([NH3+])[C@H]([NH3+])c1cccnc1 259454889 573454632 /nfs/dbraw/zinc/45/46/32/573454632.db2.gz QOZACIJUYKEPOJ-MRVPVSSYSA-N 2 2 165.240 0.819 10 0 ACAELP CC[NH2+][C@]1(CCO)CCC[N@@H+](C)C1 134367272 571716460 /nfs/dbraw/zinc/71/64/60/571716460.db2.gz VEFPZPOBXANRCR-JTQLQIEISA-N 2 2 186.299 0.443 10 0 ACAELP C[NH2+][C@H]1CCC[N@H+](CCC2(O)CC2)C1 214119454 571716901 /nfs/dbraw/zinc/71/69/01/571716901.db2.gz VKAHYAWBWIKOIM-JTQLQIEISA-N 2 2 198.310 0.585 10 0 ACAELP C[NH2+][C@H]1CCC[N@@H+](CCC2(O)CC2)C1 214119454 571716902 /nfs/dbraw/zinc/71/69/02/571716902.db2.gz VKAHYAWBWIKOIM-JTQLQIEISA-N 2 2 198.310 0.585 10 0 ACAELP C[C@@H]1C[C@H]1[C@H]([NH3+])Cc1[nH+]ccn1C 86486126 573455369 /nfs/dbraw/zinc/45/53/69/573455369.db2.gz GOBUNCBSHRUVGA-IWSPIJDZSA-N 2 2 179.267 0.946 10 0 ACAELP C[C@H](C[NH3+])[NH2+][C@@H](CO)c1ccccc1 235459846 571916725 /nfs/dbraw/zinc/91/67/25/571916725.db2.gz IZMMBLZOYSPFTH-KOLCDFICSA-N 2 2 194.278 0.657 10 0 ACAELP Cn1cc[nH+]c1C[C@@H]([NH3+])[C@@H]1CCCO1 86486097 573456927 /nfs/dbraw/zinc/45/69/27/573456927.db2.gz GPSORKCVLCUACC-BDAKNGLRSA-N 2 2 195.266 0.469 10 0 ACAELP Cn1cc(C[NH2+]C2CCC2)[nH+]c1N 258361966 573457084 /nfs/dbraw/zinc/45/70/84/573457084.db2.gz ZHYHKIKPPUMFTL-UHFFFAOYSA-N 2 2 180.255 0.644 10 0 ACAELP C[C@H](C(N)=[NH2+])[NH+]1CCC(CF)CC1 689424463 571909283 /nfs/dbraw/zinc/90/92/83/571909283.db2.gz SNXUTRJTGIWUOX-SSDOTTSWSA-N 2 2 187.262 0.992 10 0 ACAELP C[N@@H+]1CC[C@@H](C[NH3+])C(F)(F)C1 107266953 573459354 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DGSXZASTLNXIKK-UHFFFAOYSA-N 2 2 196.294 0.793 10 0 ACAELP C1C[C@@H]([NH2+]CCOC2CC2)C[NH2+]1 714951372 573465120 /nfs/dbraw/zinc/46/51/20/573465120.db2.gz SMALWCPBRBEJLL-MRVPVSSYSA-N 2 2 170.256 0.117 10 0 ACAELP O=C1CCC[N@H+](C2CC[NH2+]CC2)CC1 257816006 573465121 /nfs/dbraw/zinc/46/51/21/573465121.db2.gz DGSXZASTLNXIKK-UHFFFAOYSA-N 2 2 196.294 0.793 10 0 ACAELP C/C(=C/c1c[nH+]cn1C)C[NH3+] 211800797 573465161 /nfs/dbraw/zinc/46/51/61/573465161.db2.gz RZJQMKSMVPREPZ-CLTKARDFSA-N 2 2 151.213 0.782 10 0 ACAELP CC[C@@H]([NH3+])[C@@H](CCO)c1cn(C)c[nH+]1 308592743 573465204 /nfs/dbraw/zinc/46/52/04/573465204.db2.gz WOEIVMGNWAAGAT-RKDXNWHRSA-N 2 2 197.282 0.623 10 0 ACAELP C[C@@H](C[NH+](C)C)[NH2+]CC(C)(C)CO 130085462 573465216 /nfs/dbraw/zinc/46/52/16/573465216.db2.gz PDJBXBULKRBTAL-VIFPVBQESA-N 2 2 188.315 0.545 10 0 ACAELP CCC1(O)C[NH+](C[C@H]2CC[N@H+](C)C2)C1 687763438 571972183 /nfs/dbraw/zinc/97/21/83/571972183.db2.gz MXQGVUGYXOBWDW-JTQLQIEISA-N 2 2 198.310 0.395 10 0 ACAELP CCC1(O)C[NH+](C[C@H]2CC[N@@H+](C)C2)C1 687763438 571972185 /nfs/dbraw/zinc/97/21/85/571972185.db2.gz MXQGVUGYXOBWDW-JTQLQIEISA-N 2 2 198.310 0.395 10 0 ACAELP CCC1(O)C[NH+](C[C@@H]2CC[N@H+](C)C2)C1 687763439 571972573 /nfs/dbraw/zinc/97/25/73/571972573.db2.gz MXQGVUGYXOBWDW-SNVBAGLBSA-N 2 2 198.310 0.395 10 0 ACAELP CCC1(O)C[NH+](C[C@@H]2CC[N@@H+](C)C2)C1 687763439 571972576 /nfs/dbraw/zinc/97/25/76/571972576.db2.gz MXQGVUGYXOBWDW-SNVBAGLBSA-N 2 2 198.310 0.395 10 0 ACAELP CO[C@H]1CC[C@@H]([NH2+]CC[NH+](C)C)C1 234832316 571973067 /nfs/dbraw/zinc/97/30/67/571973067.db2.gz REYVIGNOJTVUJV-ZJUUUORDSA-N 2 2 186.299 0.705 10 0 ACAELP C[N@H+](CC1CCC1)[C@H](C[NH3+])CO 130097833 573467074 /nfs/dbraw/zinc/46/70/74/573467074.db2.gz AZHBWFKWXNEPFT-SECBINFHSA-N 2 2 172.272 0.038 10 0 ACAELP C[N@@H+](CC1CCC1)[C@H](C[NH3+])CO 130097833 573467079 /nfs/dbraw/zinc/46/70/79/573467079.db2.gz AZHBWFKWXNEPFT-SECBINFHSA-N 2 2 172.272 0.038 10 0 ACAELP CC[NH2+]C[C@H]([NH3+])c1cc[nH]c1 259465583 573471802 /nfs/dbraw/zinc/47/18/02/573471802.db2.gz RHYLRPCBUUBGQS-QMMMGPOBSA-N 2 2 153.229 0.624 10 0 ACAELP CC[N@H+](CC[NH3+])C[C@@H]1CCOCO1 300832892 571978006 /nfs/dbraw/zinc/97/80/06/571978006.db2.gz OZLUATDENXKWKW-VIFPVBQESA-N 2 2 188.271 0.030 10 0 ACAELP CC[N@@H+](CC[NH3+])C[C@@H]1CCOCO1 300832892 571978008 /nfs/dbraw/zinc/97/80/08/571978008.db2.gz OZLUATDENXKWKW-VIFPVBQESA-N 2 2 188.271 0.030 10 0 ACAELP C[C@@H]1CCC[C@]1(C[NH3+])[NH+]1CCOCC1 83392137 573477738 /nfs/dbraw/zinc/47/77/38/573477738.db2.gz CGMWCAOCMLEPFG-GHMZBOCLSA-N 2 2 198.310 0.836 10 0 ACAELP C[C@@H]1CC[C@@H]([NH3+])[NH2+]1 39118026 571997508 /nfs/dbraw/zinc/99/75/08/571997508.db2.gz NSVLMYNMIXEUIX-UHNVWZDZSA-N 2 2 100.165 0.043 10 0 ACAELP C[C@@H]1CC[C@@H]([N@@H+](C)[C@H](C)C[NH3+])CO1 401911275 572000298 /nfs/dbraw/zinc/00/02/98/572000298.db2.gz LHJSDIVLSWQUCI-OPRDCNLKSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]1CC[C@@H]([N@H+](C)[C@H](C)C[NH3+])CO1 401911275 572000299 /nfs/dbraw/zinc/00/02/99/572000299.db2.gz LHJSDIVLSWQUCI-OPRDCNLKSA-N 2 2 186.299 0.833 10 0 ACAELP Cc1n[nH]cc1C[NH2+]C[C@H]1CCC[NH2+]1 235810687 572000667 /nfs/dbraw/zinc/00/06/67/572000667.db2.gz KOPORCGMIKZKJL-SNVBAGLBSA-N 2 2 194.282 0.560 10 0 ACAELP Cc1ccc(C[NH2+]CC[NH3+])cn1 34187832 572001076 /nfs/dbraw/zinc/00/10/76/572001076.db2.gz NMNXSUAOCFKKFO-UHFFFAOYSA-N 2 2 165.240 0.438 10 0 ACAELP Cc1cnn(C)c1C[NH2+][C@H](C)C[NH3+] 394120049 572002521 /nfs/dbraw/zinc/00/25/21/572002521.db2.gz VXUGQAGBTQJGLM-MRVPVSSYSA-N 2 2 182.271 0.165 10 0 ACAELP CC[N@@H+]1CCC[C@@H](C[NH2+]C2COC2)C1 308594680 573481615 /nfs/dbraw/zinc/48/16/15/573481615.db2.gz LYXCAFAKZVNADQ-JTQLQIEISA-N 2 2 198.310 0.707 10 0 ACAELP CC[N@H+]1CCC[C@@H](C[NH2+]C2COC2)C1 308594680 573481620 /nfs/dbraw/zinc/48/16/20/573481620.db2.gz LYXCAFAKZVNADQ-JTQLQIEISA-N 2 2 198.310 0.707 10 0 ACAELP CC(C)C[N@@H+]1CCN2CC[NH2+]C[C@@H]2C1 219634527 572008536 /nfs/dbraw/zinc/00/85/36/572008536.db2.gz REMPPLJFVMWUSQ-LLVKDONJSA-N 2 2 197.326 0.232 10 0 ACAELP 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198.310 0.992 10 0 ACAELP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCC1=O 82542552 572055732 /nfs/dbraw/zinc/05/57/32/572055732.db2.gz PVSFFBKGFIVHFP-JTQLQIEISA-N 2 2 198.310 0.992 10 0 ACAELP CCCN(CC[NH3+])c1cc[nH+]c(C)n1 82592068 572055744 /nfs/dbraw/zinc/05/57/44/572055744.db2.gz LVTDVAHSIHHQKJ-UHFFFAOYSA-N 2 2 194.282 0.960 10 0 ACAELP CC[NH2+]C[C@H]1CCCC[N@@H+]1CCO 82646155 572078343 /nfs/dbraw/zinc/07/83/43/572078343.db2.gz GVYDIPSBPMOUTF-SNVBAGLBSA-N 2 2 186.299 0.443 10 0 ACAELP CC[NH2+]C[C@H]1CCCC[N@H+]1CCO 82646155 572078344 /nfs/dbraw/zinc/07/83/44/572078344.db2.gz GVYDIPSBPMOUTF-SNVBAGLBSA-N 2 2 186.299 0.443 10 0 ACAELP C[NH2+]C[C@@H]1CC[C@H]2N=[NH+]N[C@@H]2C1 107307071 573493758 /nfs/dbraw/zinc/49/37/58/573493758.db2.gz XZNMHVFLMSAXRD-BWZBUEFSSA-N 2 2 168.244 0.714 10 0 ACAELP CC[NH+]1CCC([C@H]([NH3+])C[NH+](C)C)CC1 258042655 573493829 /nfs/dbraw/zinc/49/38/29/573493829.db2.gz HDELNVYEOYYTCI-LLVKDONJSA-N 3 2 199.342 0.607 10 0 ACAELP C[C@@H]([NH3+])[C@]1(F)CCC[N@H+](C)C1 258499281 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130271066 573507294 /nfs/dbraw/zinc/50/72/94/573507294.db2.gz APMQNCFDDJZRIY-GHMZBOCLSA-N 2 2 199.342 0.620 10 0 ACAELP C[C@H](C[NH+](C)C)N[C@@H]1CCC[N@@H+](C)C1 130271066 573507302 /nfs/dbraw/zinc/50/73/02/573507302.db2.gz APMQNCFDDJZRIY-GHMZBOCLSA-N 2 2 199.342 0.620 10 0 ACAELP C[N@@H+]1CC[C@H]([C@@H]([NH3+])[C@@H]2CCCC[NH2+]2)C1 259483299 573512179 /nfs/dbraw/zinc/51/21/79/573512179.db2.gz SLWZKBJNJDWZCU-GARJFASQSA-N 3 2 197.326 0.408 10 0 ACAELP C[N@H+]1CC[C@H]([C@@H]([NH3+])[C@@H]2CCCC[NH2+]2)C1 259483299 573512187 /nfs/dbraw/zinc/51/21/87/573512187.db2.gz SLWZKBJNJDWZCU-GARJFASQSA-N 3 2 197.326 0.408 10 0 ACAELP C1CO[C@@H](C[NH2+]CCC2CC2)C[NH2+]1 83895465 572438129 /nfs/dbraw/zinc/43/81/29/572438129.db2.gz GHVAQDPQCRTXEB-JTQLQIEISA-N 2 2 184.283 0.365 10 0 ACAELP [NH3+][C@H]1CC[N@@H+]([C@H]2CCCC(=O)C2)C1 86601133 573512224 /nfs/dbraw/zinc/51/22/24/573512224.db2.gz LOBRGIQTYIMRLG-IUCAKERBSA-N 2 2 182.267 0.531 10 0 ACAELP [NH3+][C@H]1CC[N@H+]([C@H]2CCCC(=O)C2)C1 86601133 573512228 /nfs/dbraw/zinc/51/22/28/573512228.db2.gz LOBRGIQTYIMRLG-IUCAKERBSA-N 2 2 182.267 0.531 10 0 ACAELP CC(C)[C@@H](C[NH3+])N[C@@H]1CCC[N@H+](C)C1 258725113 573512316 /nfs/dbraw/zinc/51/23/16/573512316.db2.gz DSWRWGIEODFWOU-GHMZBOCLSA-N 2 2 199.342 0.654 10 0 ACAELP CC(C)[C@@H](C[NH3+])N[C@@H]1CCC[N@@H+](C)C1 258725113 573512325 /nfs/dbraw/zinc/51/23/25/573512325.db2.gz DSWRWGIEODFWOU-GHMZBOCLSA-N 2 2 199.342 0.654 10 0 ACAELP CCn1c[nH+]c(C[C@@H](C)[NH3+])c1 107325967 573512392 /nfs/dbraw/zinc/51/23/92/573512392.db2.gz OANWNELEHPOBFY-SSDOTTSWSA-N 2 2 153.229 0.793 10 0 ACAELP C[NH2+]CC[N@H+](C)[C@H]1CCCC(=O)C1 86601413 573512401 /nfs/dbraw/zinc/51/24/01/573512401.db2.gz XSZDUVVOACYXQL-VIFPVBQESA-N 2 2 184.283 0.649 10 0 ACAELP C[NH2+]CC[N@@H+](C)[C@H]1CCCC(=O)C1 86601413 573512415 /nfs/dbraw/zinc/51/24/15/573512415.db2.gz XSZDUVVOACYXQL-VIFPVBQESA-N 2 2 184.283 0.649 10 0 ACAELP C[N@@H+]1CC[C@H]([C@H]([NH3+])[C@@H]2CCCC[NH2+]2)C1 259483294 573512480 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CCC[NH2+]CC1CC[NH+](CC[NH3+])CC1 258781689 573559555 /nfs/dbraw/zinc/55/95/55/573559555.db2.gz ZSYKGUDEAUPOOG-UHFFFAOYSA-N 3 2 199.342 0.657 10 0 ACAELP [NH3+][C@H]1CCC[C@H]1[NH+]1CC2(CC2)C1 86678351 573559603 /nfs/dbraw/zinc/55/96/03/573559603.db2.gz HRUVUJTUDCFJMT-DTWKUNHWSA-N 2 2 166.268 0.962 10 0 ACAELP CC[C@H]([NH3+])C[NH+]1CC(C)C1 86678950 573559628 /nfs/dbraw/zinc/55/96/28/573559628.db2.gz DQZNPYGFRNTADG-QMMMGPOBSA-N 2 2 142.246 0.675 10 0 ACAELP CC[C@@H]([NH3+])C[NH+]1CC2(CC2)C1 86678990 573559663 /nfs/dbraw/zinc/55/96/63/573559663.db2.gz XMMHRJOSEVEBJW-MRVPVSSYSA-N 2 2 154.257 0.820 10 0 ACAELP CC[C@@H](C[NH3+])[NH+]1CC2(CC2)C1 86679668 573559700 /nfs/dbraw/zinc/55/97/00/573559700.db2.gz ADLHKGBHRDFJOZ-QMMMGPOBSA-N 2 2 154.257 0.820 10 0 ACAELP CC(C)C1C[NH+](C[C@@H](C)[NH3+])C1 86678835 573559785 /nfs/dbraw/zinc/55/97/85/573559785.db2.gz WOGRGIZVUSGYCD-MRVPVSSYSA-N 2 2 156.273 0.921 10 0 ACAELP OCC1(C[NH2+]CC[NH+]2CCCC2)CC1 236489483 572787108 /nfs/dbraw/zinc/78/71/08/572787108.db2.gz NKHMEOLSIUFPDC-UHFFFAOYSA-N 2 2 198.310 0.444 10 0 ACAELP C[NH2+]CC[C@H](C)[NH+]1CC(OC)C1 307932136 572787167 /nfs/dbraw/zinc/78/71/67/572787167.db2.gz ACRXKXFYEDLMJY-QMMMGPOBSA-N 2 2 172.272 0.315 10 0 ACAELP C[C@@H](O)[C@H]([NH3+])C[NH+]1CC2(CCCC2)C1 86679416 573561198 /nfs/dbraw/zinc/56/11/98/573561198.db2.gz HGPYCAWWORDEDE-NXEZZACHSA-N 2 2 198.310 0.571 10 0 ACAELP CCC1C[NH+]([C@H](C)C[NH3+])C1 86678881 573561209 /nfs/dbraw/zinc/56/12/09/573561209.db2.gz ALUAPIKLQKXOQS-SSDOTTSWSA-N 2 2 142.246 0.675 10 0 ACAELP C[N@@H+]1CC[C@@H](c2cc[nH+]c(NN)n2)C1 259509418 573561336 /nfs/dbraw/zinc/56/13/36/573561336.db2.gz MEPLKNCWOFHDPI-SSDOTTSWSA-N 2 2 193.254 0.181 10 0 ACAELP C[N@H+]1CC[C@@H](c2cc[nH+]c(NN)n2)C1 259509418 573561345 /nfs/dbraw/zinc/56/13/45/573561345.db2.gz MEPLKNCWOFHDPI-SSDOTTSWSA-N 2 2 193.254 0.181 10 0 ACAELP C[NH2+][C@H](Cc1cnn(C)c1)C[NH+](C)C 85798760 572817711 /nfs/dbraw/zinc/81/77/11/572817711.db2.gz ZWUJYKAROCYVCS-SNVBAGLBSA-N 2 2 196.298 0.112 10 0 ACAELP C[C@@H](C[NH3+])[NH+]1CC2(CC2)C1 86678922 573561657 /nfs/dbraw/zinc/56/16/57/573561657.db2.gz ZTPZETKXKNFCQK-ZETCQYMHSA-N 2 2 140.230 0.429 10 0 ACAELP C[C@H]1CC[N@H+](C)C[C@]2(C[NH2+]CCO2)C1 75124750 572827887 /nfs/dbraw/zinc/82/78/87/572827887.db2.gz MDVGPPPOFBLBCC-WDEREUQCSA-N 2 2 198.310 0.707 10 0 ACAELP C[C@H]1CC[N@@H+](C)C[C@]2(C[NH2+]CCO2)C1 75124750 572827889 /nfs/dbraw/zinc/82/78/89/572827889.db2.gz MDVGPPPOFBLBCC-WDEREUQCSA-N 2 2 198.310 0.707 10 0 ACAELP C[C@@H](C[NH3+])n1c[nH+]c2c1C[S@](=O)C2 75125110 572827898 /nfs/dbraw/zinc/82/78/98/572827898.db2.gz MCASKFGGJQBWJK-IYQDAUBNSA-N 2 2 199.279 0.165 10 0 ACAELP CC[C@H]([NH3+])C[NH+]1CC2(CCOCC2)C1 86678937 573561770 /nfs/dbraw/zinc/56/17/70/573561770.db2.gz OPLCZEDJBGORAA-JTQLQIEISA-N 2 2 198.310 0.836 10 0 ACAELP C[C@H](O)[C@H]([NH3+])C[NH+]1CC(C)(C)C1 86679506 573562808 /nfs/dbraw/zinc/56/28/08/573562808.db2.gz OPRBOWYHGNGSOU-JGVFFNPUSA-N 2 2 172.272 0.036 10 0 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/nfs/dbraw/zinc/84/48/22/572844822.db2.gz DLPZEIPOUIILHB-IUCAKERBSA-N 2 2 172.272 0.315 10 0 ACAELP COCC[N@@H+](C)[C@@H]1C[NH2+][C@@H](C)C1 307954743 572844825 /nfs/dbraw/zinc/84/48/25/572844825.db2.gz DLPZEIPOUIILHB-IUCAKERBSA-N 2 2 172.272 0.315 10 0 ACAELP CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C1 259112594 573562994 /nfs/dbraw/zinc/56/29/94/573562994.db2.gz XUEJSJRDFKWBPN-VHSXEESVSA-N 2 2 186.299 0.299 10 0 ACAELP COCC[N@H+](C)[C@H]1C[NH2+][C@H](C)C1 307954744 572844935 /nfs/dbraw/zinc/84/49/35/572844935.db2.gz DLPZEIPOUIILHB-RKDXNWHRSA-N 2 2 172.272 0.315 10 0 ACAELP COCC[N@@H+](C)[C@H]1C[NH2+][C@H](C)C1 307954744 572844938 /nfs/dbraw/zinc/84/49/38/572844938.db2.gz DLPZEIPOUIILHB-RKDXNWHRSA-N 2 2 172.272 0.315 10 0 ACAELP CC(C)(C[NH3+])[NH+]1CC2(CCOCC2)C1 86678090 573563607 /nfs/dbraw/zinc/56/36/07/573563607.db2.gz WHAFYGOUOYTOHI-UHFFFAOYSA-N 2 2 198.310 0.836 10 0 ACAELP CC[C@H](CNCc1[nH]cc[nH+]1)[NH+](C)C 308621892 573563677 /nfs/dbraw/zinc/56/36/77/573563677.db2.gz UGIWTZXEPRVQBF-SECBINFHSA-N 2 2 196.298 0.840 10 0 ACAELP CC[C@@H](C[NH3+])[NH+]1CC2(CCOCC2)C1 86679618 573563714 /nfs/dbraw/zinc/56/37/14/573563714.db2.gz XISYKAVCCWHJJW-JTQLQIEISA-N 2 2 198.310 0.836 10 0 ACAELP CCOCC[N@H+](C)C[C@@H](C)[NH2+]C 87976913 572845117 /nfs/dbraw/zinc/84/51/17/572845117.db2.gz UENQXSCEAIGCDS-SECBINFHSA-N 2 2 174.288 0.563 10 0 ACAELP CC(C)(C[NH3+])[NH+]1CC2(CC2)C1 86678114 573563798 /nfs/dbraw/zinc/56/37/98/573563798.db2.gz MGYKHHFDAQDYMZ-UHFFFAOYSA-N 2 2 154.257 0.820 10 0 ACAELP Cc1nc(N2C[C@@H](C)[C@@H]([NH3+])C2)cc[nH+]1 235379879 572867412 /nfs/dbraw/zinc/86/74/12/572867412.db2.gz JPXCSNSDNWCWAE-APPZFPTMSA-N 2 2 192.266 0.568 10 0 ACAELP C[N@@H+]1CCC[C@]2(CC[C@@H](O)CC[NH2+]2)C1 257610465 572871485 /nfs/dbraw/zinc/87/14/85/572871485.db2.gz DAVZCCGOILXYIM-MNOVXSKESA-N 2 2 198.310 0.585 10 0 ACAELP C[N@H+]1CCC[C@]2(CC[C@@H](O)CC[NH2+]2)C1 257610465 572871486 /nfs/dbraw/zinc/87/14/86/572871486.db2.gz DAVZCCGOILXYIM-MNOVXSKESA-N 2 2 198.310 0.585 10 0 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C[NH2+][C@H](C)C[N@H+]1CC[C@](C)(OC)C1 308179425 572903659 /nfs/dbraw/zinc/90/36/59/572903659.db2.gz BZPVWYXNDKZPKW-ZJUUUORDSA-N 2 2 186.299 0.705 10 0 ACAELP C[C@@H](C[NH3+])CC(=O)NCc1c[nH+]c[nH]1 87988231 572903687 /nfs/dbraw/zinc/90/36/87/572903687.db2.gz WYFDIONRWZBETD-SSDOTTSWSA-N 2 2 196.254 0.011 10 0 ACAELP C[C@@H](C[NH3+])CC(=O)NCc1c[nH]c[nH+]1 87988231 572903689 /nfs/dbraw/zinc/90/36/89/572903689.db2.gz WYFDIONRWZBETD-SSDOTTSWSA-N 2 2 196.254 0.011 10 0 ACAELP C[NH+](C)CCC[N@H+](C)[C@@H]1CC[C@H]([NH3+])C1 86432885 572937830 /nfs/dbraw/zinc/93/78/30/572937830.db2.gz GIOLFWOUQTXQSG-WDEREUQCSA-N 3 2 199.342 0.750 10 0 ACAELP C[NH+](C)CCC[N@@H+](C)[C@@H]1CC[C@H]([NH3+])C1 86432885 572937833 /nfs/dbraw/zinc/93/78/33/572937833.db2.gz GIOLFWOUQTXQSG-WDEREUQCSA-N 3 2 199.342 0.750 10 0 ACAELP CC[C@](C)([NH3+])CC[NH+]1CCOCC1 308194781 572925937 /nfs/dbraw/zinc/92/59/37/572925937.db2.gz QERPCXWAAXEFCD-JTQLQIEISA-N 2 2 186.299 0.836 10 0 ACAELP OC/C=C\C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 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KAQOUNIXWGMAMA-UHFFFAOYSA-N 2 2 192.278 0.514 10 0 ACAELP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@@H]([NH3+])C1 86397756 572931072 /nfs/dbraw/zinc/93/10/72/572931072.db2.gz GNFXQKXLBSSZRL-NXEZZACHSA-N 3 2 199.342 0.796 10 0 ACAELP C[C@@H](C[NH2+]CCCF)[NH+](C)C 88024804 572931076 /nfs/dbraw/zinc/93/10/76/572931076.db2.gz XAWPJHVGBYQSGS-QMMMGPOBSA-N 2 2 162.252 0.886 10 0 ACAELP CCCC[N@H+](CCO)[C@@H]1CC[NH2+]C1 86431994 572937761 /nfs/dbraw/zinc/93/77/61/572937761.db2.gz QAUJROZYTFKQHX-SNVBAGLBSA-N 2 2 186.299 0.443 10 0 ACAELP CCCC[N@@H+](CCO)[C@@H]1CC[NH2+]C1 86431994 572937763 /nfs/dbraw/zinc/93/77/63/572937763.db2.gz QAUJROZYTFKQHX-SNVBAGLBSA-N 2 2 186.299 0.443 10 0 ACAELP CSCCn1cc[nH+]c1CC[NH3+] 130513285 573576694 /nfs/dbraw/zinc/57/66/94/573576694.db2.gz VDLXBVPXZZYDLQ-UHFFFAOYSA-N 2 2 185.296 0.747 10 0 ACAELP CC(C)[C@H]([NH3+])CC[NH+]1CCOCC1 58058264 572941392 /nfs/dbraw/zinc/94/13/92/572941392.db2.gz VGFAOICCABGMRS-SNVBAGLBSA-N 2 2 186.299 0.692 10 0 ACAELP Cc1c[nH+]cc(C[C@H]2C[NH2+]C[C@@H]2O)c1 714613950 572941397 /nfs/dbraw/zinc/94/13/97/572941397.db2.gz ZBHFLXFFOFZZNV-QWRGUYRKSA-N 2 2 192.262 0.513 10 0 ACAELP CCCOC[C@H]([NH3+])C[NH+](C)C 86527044 572947916 /nfs/dbraw/zinc/94/79/16/572947916.db2.gz MTFYSWMVNVOWMQ-MRVPVSSYSA-N 2 2 160.261 0.302 10 0 ACAELP C[NH2+][C@H]([NH3+])C1CCC1 259516703 573585713 /nfs/dbraw/zinc/58/57/13/573585713.db2.gz RXSRCIIHEXTOTI-LURJTMIESA-N 2 2 114.192 0.291 10 0 ACAELP C[NH2+]CC[N@H+](C)[C@@H]1CCC(=O)C1 86618565 572966778 /nfs/dbraw/zinc/96/67/78/572966778.db2.gz ONKXKRJHGSVBQT-MRVPVSSYSA-N 2 2 170.256 0.259 10 0 ACAELP C[NH2+]CC[N@@H+](C)[C@@H]1CCC(=O)C1 86618565 572966780 /nfs/dbraw/zinc/96/67/80/572966780.db2.gz ONKXKRJHGSVBQT-MRVPVSSYSA-N 2 2 170.256 0.259 10 0 ACAELP COCCN(C)c1cc[nH+]cc1C[NH3+] 88115211 572967813 /nfs/dbraw/zinc/96/78/13/572967813.db2.gz MACTVNPEMSERGU-UHFFFAOYSA-N 2 2 195.266 0.623 10 0 ACAELP C[NH+](C)CCOc1cc[nH+]cc1CO 88110484 572968098 /nfs/dbraw/zinc/96/80/98/572968098.db2.gz NNMDEXMUUWTJKK-UHFFFAOYSA-N 2 2 196.250 0.514 10 0 ACAELP CC(C)[NH2+]C[C@@H]1CC[C@@H](CO)[N@@H+]1C 238179438 572968563 /nfs/dbraw/zinc/96/85/63/572968563.db2.gz DIBCIHRONDOWSU-UWVGGRQHSA-N 2 2 186.299 0.440 10 0 ACAELP CC(C)[NH2+]C[C@@H]1CC[C@@H](CO)[N@H+]1C 238179438 572968564 /nfs/dbraw/zinc/96/85/64/572968564.db2.gz DIBCIHRONDOWSU-UWVGGRQHSA-N 2 2 186.299 0.440 10 0 ACAELP c1cc(CC[NH2+][C@@H]2CC[NH2+]C2)ccn1 86728346 572974373 /nfs/dbraw/zinc/97/43/73/572974373.db2.gz RJQDVKAKKKOSPF-LLVKDONJSA-N 2 2 191.278 0.576 10 0 ACAELP c1cncc(CC[NH2+][C@H]2CC[NH2+]C2)c1 86728336 572974407 /nfs/dbraw/zinc/97/44/07/572974407.db2.gz JWQCJYQEDFXDJI-NSHDSACASA-N 2 2 191.278 0.576 10 0 ACAELP C[C@H](C[NH2+]C1CCC([NH3+])CC1)[NH+](C)C 86729031 572974846 /nfs/dbraw/zinc/97/48/46/572974846.db2.gz MAAFEXYTVIOIAW-KPPDAEKUSA-N 3 2 199.342 0.796 10 0 ACAELP c1cc(CC[NH2+][C@H]2CC[NH2+]C2)ccn1 86728352 572974860 /nfs/dbraw/zinc/97/48/60/572974860.db2.gz RJQDVKAKKKOSPF-NSHDSACASA-N 2 2 191.278 0.576 10 0 ACAELP CCC[C@@H](COC)[NH2+][C@@H]1CC[NH2+]C1 86730349 572974897 /nfs/dbraw/zinc/97/48/97/572974897.db2.gz FZKOTPFKICVYDH-ZJUUUORDSA-N 2 2 186.299 0.753 10 0 ACAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[NH2+]C1 86727967 572974939 /nfs/dbraw/zinc/97/49/39/572974939.db2.gz CVHMKBRAPFKDSX-ZJUUUORDSA-N 3 2 194.282 0.223 10 0 ACAELP CCn1cc[nH+]c1C[C@H](O)C[NH2+]C 86755124 572977101 /nfs/dbraw/zinc/97/71/01/572977101.db2.gz YIDHFZVVZYWRSU-QMMMGPOBSA-N 2 2 183.255 0.026 10 0 ACAELP C[N@H+](CCC[C@@H](O)C[NH3+])CC(F)F 308217907 572998781 /nfs/dbraw/zinc/99/87/81/572998781.db2.gz AZSHNIOHSMUYHF-SSDOTTSWSA-N 2 2 196.241 0.283 10 0 ACAELP C[N@@H+](CCC[C@@H](O)C[NH3+])CC(F)F 308217907 572998790 /nfs/dbraw/zinc/99/87/90/572998790.db2.gz AZSHNIOHSMUYHF-SSDOTTSWSA-N 2 2 196.241 0.283 10 0 ACAELP COC[C@@H](C)C[N@@H+](C)[C@H](C)C(N)=[NH2+] 308404358 573587270 /nfs/dbraw/zinc/58/72/70/573587270.db2.gz KOYWTADCRHEAMA-JGVFFNPUSA-N 2 2 187.287 0.525 10 0 ACAELP C[NH2+]C[NH2+]CCc1ccccn1 258797341 573587170 /nfs/dbraw/zinc/58/71/70/573587170.db2.gz DCNLOPWLISDHFK-UHFFFAOYSA-N 2 2 165.240 0.391 10 0 ACAELP CC[NH2+]CCc1[nH]c[nH+]c1C 238242227 573000054 /nfs/dbraw/zinc/00/00/54/573000054.db2.gz WPOBVAPUNSNCJA-UHFFFAOYSA-N 2 2 153.229 0.870 10 0 ACAELP CC[NH2+]CCc1[nH+]c[nH]c1C 238242227 573000059 /nfs/dbraw/zinc/00/00/59/573000059.db2.gz WPOBVAPUNSNCJA-UHFFFAOYSA-N 2 2 153.229 0.870 10 0 ACAELP COC[C@@H](C)C[N@H+](C)[C@H](C)C(N)=[NH2+] 308404358 573587265 /nfs/dbraw/zinc/58/72/65/573587265.db2.gz KOYWTADCRHEAMA-JGVFFNPUSA-N 2 2 187.287 0.525 10 0 ACAELP C[N@@H+]1CCN[C@H](C[NH2+]CC(C)(C)C)C1 258799258 573588308 /nfs/dbraw/zinc/58/83/08/573588308.db2.gz AJLBHMIKEYGNRR-SNVBAGLBSA-N 2 2 199.342 0.526 10 0 ACAELP C[N@H+]1CCN[C@H](C[NH2+]CC(C)(C)C)C1 258799258 573588312 /nfs/dbraw/zinc/58/83/12/573588312.db2.gz AJLBHMIKEYGNRR-SNVBAGLBSA-N 2 2 199.342 0.526 10 0 ACAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@H]([NH3+])CO 259598947 573014318 /nfs/dbraw/zinc/01/43/18/573014318.db2.gz YANUFUABWFMBDX-MNOVXSKESA-N 2 2 194.278 0.575 10 0 ACAELP CC[NH+](CC)[C@@H]1COC[C@H]1[NH3+] 238257069 573014415 /nfs/dbraw/zinc/01/44/15/573014415.db2.gz ICVFZOXIJBGTNT-HTQZYQBOSA-N 2 2 158.245 0.054 10 0 ACAELP CC[C@H]([NH3+])n1cc[nH+]c1 104563097 573014576 /nfs/dbraw/zinc/01/45/76/573014576.db2.gz KCAAUXUSONNQIF-ZCFIWIBFSA-N 2 2 125.175 0.750 10 0 ACAELP COc1ccc([C@@]2(C[NH3+])CC[NH2+]2)cc1 258226347 573019919 /nfs/dbraw/zinc/01/99/19/573019919.db2.gz PAOVKJVSGPMPPN-NSHDSACASA-N 2 2 192.262 0.843 10 0 ACAELP C[NH2+][C@@H](c1ccncc1)C1([NH3+])CC1 259312008 573019930 /nfs/dbraw/zinc/01/99/30/573019930.db2.gz RANRNZSBIRIKBA-VIFPVBQESA-N 2 2 177.251 0.833 10 0 ACAELP COC1C[NH+](CC2(C[NH3+])CCC2)C1 308226534 573021612 /nfs/dbraw/zinc/02/16/12/573021612.db2.gz QXQRWZNPWKQRFX-UHFFFAOYSA-N 2 2 184.283 0.446 10 0 ACAELP CC(C)([NH3+])CC[NH2+]Cc1ncc[nH]1 308228471 573026902 /nfs/dbraw/zinc/02/69/02/573026902.db2.gz RUYJUTRZALYJTG-UHFFFAOYSA-N 2 2 182.271 0.627 10 0 ACAELP CO[C@H](C)C[C@@H]([NH3+])Cc1[nH+]ccn1C 128487040 573027313 /nfs/dbraw/zinc/02/73/13/573027313.db2.gz RWDYAAJTIJGDIN-RKDXNWHRSA-N 2 2 197.282 0.715 10 0 ACAELP CC(C)(C[NH3+])[NH2+]Cc1cccc(=O)[nH]1 308477658 573027500 /nfs/dbraw/zinc/02/75/00/573027500.db2.gz LQRXEELAUNHHCR-UHFFFAOYSA-N 2 2 195.266 0.614 10 0 ACAELP Nc1cc[nH+]cc1[C@@H]1COCC[NH2+]1 104574092 573027623 /nfs/dbraw/zinc/02/76/23/573027623.db2.gz DETMLWOQNCLKFE-VIFPVBQESA-N 2 2 179.223 0.325 10 0 ACAELP CO[C@@H](C)C[C@H]([NH3+])Cc1[nH+]ccn1C 128486373 573028598 /nfs/dbraw/zinc/02/85/98/573028598.db2.gz RWDYAAJTIJGDIN-IUCAKERBSA-N 2 2 197.282 0.715 10 0 ACAELP C[C@@H]1CC[NH2+]C[C@@H]1[N@@H+]1CCCOCC1 85439848 573028654 /nfs/dbraw/zinc/02/86/54/573028654.db2.gz VYDFYRAHWFHZRL-MNOVXSKESA-N 2 2 198.310 0.707 10 0 ACAELP C[C@@H]1CC[NH2+]C[C@@H]1[N@H+]1CCCOCC1 85439848 573028660 /nfs/dbraw/zinc/02/86/60/573028660.db2.gz VYDFYRAHWFHZRL-MNOVXSKESA-N 2 2 198.310 0.707 10 0 ACAELP [NH3+]C[C@@H]([NH3+])CNc1cccc(F)c1 259034294 573028950 /nfs/dbraw/zinc/02/89/50/573028950.db2.gz UCRWLRURVYKCKC-MRVPVSSYSA-N 2 2 183.230 0.524 10 0 ACAELP COC(=O)/C=C/C[NH2+][C@H]1CCC[NH2+]C1 258229825 573028952 /nfs/dbraw/zinc/02/89/52/573028952.db2.gz ZILKFPCACVGAJW-SGRBOOSSSA-N 2 2 198.266 0.057 10 0 ACAELP CCn1c(C[NH+](C)C)c[nH+]c1N 258231080 573029015 /nfs/dbraw/zinc/02/90/15/573029015.db2.gz PYVZRABDHJHWQJ-UHFFFAOYSA-N 2 2 168.244 0.547 10 0 ACAELP [NH3+]C[C@@H]([NH3+])c1ccc(F)c(CO)c1 104579574 573030210 /nfs/dbraw/zinc/03/02/10/573030210.db2.gz FYCJVIYNDWJZNQ-SECBINFHSA-N 2 2 184.214 0.277 10 0 ACAELP CC[N@@H+]([C@H]1CC[NH2+]C1)[C@@H]1CCOC1 82427159 573039388 /nfs/dbraw/zinc/03/93/88/573039388.db2.gz MGZTXTCJTHKDRI-VHSXEESVSA-N 2 2 184.283 0.459 10 0 ACAELP C[NH2+]C[C@H]([NH2+]C)c1cc[nH]c1 259521160 573593852 /nfs/dbraw/zinc/59/38/52/573593852.db2.gz SEVNPPMMMBEYTR-QMMMGPOBSA-N 2 2 153.229 0.495 10 0 ACAELP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC[NH+](C)C 49710820 573057775 /nfs/dbraw/zinc/05/77/75/573057775.db2.gz GUTZPHQALKTVSU-GHMZBOCLSA-N 3 2 199.342 0.750 10 0 ACAELP C[C@H]1C[N@H+](CC2([NH3+])CCC2)C[C@@H](C)O1 88051632 573057785 /nfs/dbraw/zinc/05/77/85/573057785.db2.gz DEGVARFXBAPCQO-AOOOYVTPSA-N 2 2 198.310 0.977 10 0 ACAELP C[C@H]1C[N@@H+](CC2([NH3+])CCC2)C[C@@H](C)O1 88051632 573057793 /nfs/dbraw/zinc/05/77/93/573057793.db2.gz DEGVARFXBAPCQO-AOOOYVTPSA-N 2 2 198.310 0.977 10 0 ACAELP [NH3+]C1(C[NH+]2CCSCC2)CCC1 88051692 573057928 /nfs/dbraw/zinc/05/79/28/573057928.db2.gz PJZBZHCLWCQOKD-UHFFFAOYSA-N 2 2 186.324 0.917 10 0 ACAELP [NH3+][C@@H]1Cc2[nH+]c3cc(O)ccc3n2C1 259523334 573595117 /nfs/dbraw/zinc/59/51/17/573595117.db2.gz ALIYRXAWFQPRHM-ZCFIWIBFSA-N 2 2 189.218 0.625 10 0 ACAELP CC[C@](C)(C[NH3+])[NH2+]Cc1cncn1C 308492592 573063021 /nfs/dbraw/zinc/06/30/21/573063021.db2.gz RMLRDTNLIYIIEG-SNVBAGLBSA-N 2 2 196.298 0.637 10 0 ACAELP CC[C@](C)(C[NH3+])NCc1c[nH+]cn1C 308492592 573063027 /nfs/dbraw/zinc/06/30/27/573063027.db2.gz RMLRDTNLIYIIEG-SNVBAGLBSA-N 2 2 196.298 0.637 10 0 ACAELP C/C=C(\C[NH3+])[NH+](C)C 211986351 573063028 /nfs/dbraw/zinc/06/30/28/573063028.db2.gz GZTKVTDHRXEKSL-GQCTYLIASA-N 2 2 114.192 0.411 10 0 ACAELP CC(=[NH2+])N1CC[N@H+](C)[C@@H](C)C1 82477373 573063223 /nfs/dbraw/zinc/06/32/23/573063223.db2.gz TYNNNRSKTJXTQI-ZETCQYMHSA-N 2 2 155.245 0.619 10 0 ACAELP CC(=[NH2+])N1CC[N@@H+](C)[C@@H](C)C1 82477373 573063224 /nfs/dbraw/zinc/06/32/24/573063224.db2.gz TYNNNRSKTJXTQI-ZETCQYMHSA-N 2 2 155.245 0.619 10 0 ACAELP C[C@H]1C[N@H+](CCC[NH+](C)C)CC[C@@H]1[NH3+] 49710801 573063430 /nfs/dbraw/zinc/06/34/30/573063430.db2.gz BWOALFDWHOQXHM-QWRGUYRKSA-N 3 2 199.342 0.607 10 0 ACAELP CC[C@@](C)(C[NH3+])[NH2+]Cc1cncn1C 308492591 573063432 /nfs/dbraw/zinc/06/34/32/573063432.db2.gz RMLRDTNLIYIIEG-JTQLQIEISA-N 2 2 196.298 0.637 10 0 ACAELP C[C@H]1C[N@@H+](CCC[NH+](C)C)CC[C@@H]1[NH3+] 49710801 573063436 /nfs/dbraw/zinc/06/34/36/573063436.db2.gz BWOALFDWHOQXHM-QWRGUYRKSA-N 3 2 199.342 0.607 10 0 ACAELP CC[C@@](C)(C[NH3+])NCc1c[nH+]cn1C 308492591 573063437 /nfs/dbraw/zinc/06/34/37/573063437.db2.gz RMLRDTNLIYIIEG-JTQLQIEISA-N 2 2 196.298 0.637 10 0 ACAELP CN(Cc1c[nH]c[nH+]1)[C@@H]1CCC[NH2+]C1 82499703 573081268 /nfs/dbraw/zinc/08/12/68/573081268.db2.gz SXNOXSNWHINCRS-SNVBAGLBSA-N 2 2 194.282 0.594 10 0 ACAELP C[C@H]1C[C@]([NH3+])(CCO)C[N@@H+]1C1CC1 215049444 573081281 /nfs/dbraw/zinc/08/12/81/573081281.db2.gz UDVQALZACGWNTB-WCBMZHEXSA-N 2 2 184.283 0.323 10 0 ACAELP C[C@H]1C[C@]([NH3+])(CCO)C[N@H+]1C1CC1 215049444 573081287 /nfs/dbraw/zinc/08/12/87/573081287.db2.gz UDVQALZACGWNTB-WCBMZHEXSA-N 2 2 184.283 0.323 10 0 ACAELP CC[N@@H+]1CCO[C@H](Cn2cc[nH+]c2)C1 82491898 573081306 /nfs/dbraw/zinc/08/13/06/573081306.db2.gz FNDWHVCNQKRTGY-JTQLQIEISA-N 2 2 195.266 0.604 10 0 ACAELP CC[N@H+]1CCO[C@H](Cn2cc[nH+]c2)C1 82491898 573081309 /nfs/dbraw/zinc/08/13/09/573081309.db2.gz FNDWHVCNQKRTGY-JTQLQIEISA-N 2 2 195.266 0.604 10 0 ACAELP Cc1ocnc1C[N@H+](C)CCC[NH3+] 128599788 573072136 /nfs/dbraw/zinc/07/21/36/573072136.db2.gz VYXAIBHAOOJHPE-UHFFFAOYSA-N 2 2 183.255 0.764 10 0 ACAELP 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215197675 573417405 /nfs/dbraw/zinc/41/74/05/573417405.db2.gz LCOHYCBBKKMWAF-VHSXEESVSA-N 2 2 186.299 0.297 10 0 ACAELP C[NH2+][C@@H]1C[N@H+](C(C)C)CC[C@H]1CO 215197675 573417409 /nfs/dbraw/zinc/41/74/09/573417409.db2.gz LCOHYCBBKKMWAF-VHSXEESVSA-N 2 2 186.299 0.297 10 0 ACAELP C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 107220014 573417466 /nfs/dbraw/zinc/41/74/66/573417466.db2.gz IXZWJNDOJJLVGI-SFYZADRCSA-N 2 2 154.257 0.831 10 0 ACAELP C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 107220014 573417471 /nfs/dbraw/zinc/41/74/71/573417471.db2.gz IXZWJNDOJJLVGI-SFYZADRCSA-N 2 2 154.257 0.831 10 0 ACAELP [NH3+]C[C@]1(c2ccccc2F)CC[NH2+]1 258337086 573417784 /nfs/dbraw/zinc/41/77/84/573417784.db2.gz VFFZJIGEMSOZLC-JTQLQIEISA-N 2 2 180.226 0.973 10 0 ACAELP C[C@@H](O)CC[NH2+]CC[NH+]1CCCC1 133613811 573417905 /nfs/dbraw/zinc/41/79/05/573417905.db2.gz MYWBWGANVJZSFG-SNVBAGLBSA-N 2 2 186.299 0.443 10 0 ACAELP CC(C)C[C@H]([NH3+])[C@@H]1COCC[NH2+]1 259444580 573418008 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573430251 /nfs/dbraw/zinc/43/02/51/573430251.db2.gz RQLVFCABDPIZKZ-UHFFFAOYSA-N 2 2 166.224 0.422 10 0 ACAELP C[C@@H](C[NH2+]C1CC1)[N@@H+](C)C[C@@H](C)O 714693371 573430310 /nfs/dbraw/zinc/43/03/10/573430310.db2.gz OXUZBEWGQZCBOL-DTWKUNHWSA-N 2 2 186.299 0.440 10 0 ACAELP C[C@@H](C[NH2+]C1CC1)[N@H+](C)C[C@@H](C)O 714693371 573430317 /nfs/dbraw/zinc/43/03/17/573430317.db2.gz OXUZBEWGQZCBOL-DTWKUNHWSA-N 2 2 186.299 0.440 10 0 ACAELP C[C@H]1OCC[C@@]1(C)[NH2+]CC[NH+](C)C 235597459 573441924 /nfs/dbraw/zinc/44/19/24/573441924.db2.gz QYEVNCVMFINVBV-NXEZZACHSA-N 2 2 186.299 0.705 10 0 ACAELP CCc1cc(NC/C=C\C[NH3+])nc[nH+]1 308389868 573442038 /nfs/dbraw/zinc/44/20/38/573442038.db2.gz IBSTUALNJHWRKF-ARJAWSKDSA-N 2 2 192.266 0.966 10 0 ACAELP C[NH2+]C[C@H](F)[C@@H]1CCC[N@@H+]1C 258655553 573442045 /nfs/dbraw/zinc/44/20/45/573442045.db2.gz ZWOJRBDWDVXKLE-YUMQZZPRSA-N 2 2 160.236 0.638 10 0 ACAELP C[NH2+]C[C@H](F)[C@@H]1CCC[N@H+]1C 258655553 573442051 /nfs/dbraw/zinc/44/20/51/573442051.db2.gz 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/nfs/dbraw/zinc/45/33/64/573453364.db2.gz MFAZWYJOKDYLLN-UHFFFAOYSA-N 2 2 184.283 0.590 10 0 ACAELP COc1cccc2c1[C@@H](C[NH3+])[NH2+]CC2 257816851 573453397 /nfs/dbraw/zinc/45/33/97/573453397.db2.gz DQEMNLFWPVFGJT-SECBINFHSA-N 2 2 192.262 0.841 10 0 ACAELP F[C@@H]1C[NH2+][C@@]2(CC[NH2+]C2)C1 107261757 573453454 /nfs/dbraw/zinc/45/34/54/573453454.db2.gz WIBXXOTXLMQAEL-BQBZGAKWSA-N 2 2 144.193 0.050 10 0 ACAELP CC[C@@H]1COCC[N@@H+]1C1(C[NH3+])CCC1 86474990 573453659 /nfs/dbraw/zinc/45/36/59/573453659.db2.gz GTBGNCFXDJGTHJ-SNVBAGLBSA-N 2 2 198.310 0.979 10 0 ACAELP CC[C@@H]1COCC[N@H+]1C1(C[NH3+])CCC1 86474990 573453664 /nfs/dbraw/zinc/45/36/64/573453664.db2.gz GTBGNCFXDJGTHJ-SNVBAGLBSA-N 2 2 198.310 0.979 10 0 ACAELP C[NH+](C)[C@H](CF)[C@H]1CCC[NH2+]C1 107256594 573453785 /nfs/dbraw/zinc/45/37/85/573453785.db2.gz QCKJCQJUHQHFFA-DTWKUNHWSA-N 2 2 174.263 0.886 10 0 ACAELP C[C@H]1C[N@@H+](C2(C[NH3+])CCC2)C[C@@H](C)O1 86474908 573453872 /nfs/dbraw/zinc/45/38/72/573453872.db2.gz NITBEPFVAUFDQT-AOOOYVTPSA-N 2 2 198.310 0.977 10 0 ACAELP C[C@H]1C[N@H+](C2(C[NH3+])CCC2)C[C@@H](C)O1 86474908 573453879 /nfs/dbraw/zinc/45/38/79/573453879.db2.gz NITBEPFVAUFDQT-AOOOYVTPSA-N 2 2 198.310 0.977 10 0 ACAELP Cn1cc[nH+]c1C[C@H]([NH3+])[C@H]1CCCO1 86486099 573458350 /nfs/dbraw/zinc/45/83/50/573458350.db2.gz GPSORKCVLCUACC-DTWKUNHWSA-N 2 2 195.266 0.469 10 0 ACAELP Cn1cc[nH+]c1C[C@@H]([NH3+])[C@H]1CCCO1 86486100 573458776 /nfs/dbraw/zinc/45/87/76/573458776.db2.gz GPSORKCVLCUACC-RKDXNWHRSA-N 2 2 195.266 0.469 10 0 ACAELP CC1(C)CO[C@H]([C@@H]2CCC[NH2+]2)[NH2+]1 258369984 573459780 /nfs/dbraw/zinc/45/97/80/573459780.db2.gz GTNICLPXSXXSDK-JGVFFNPUSA-N 2 2 170.256 0.463 10 0 ACAELP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CC2)C[N@@H+]1C 308592093 573459793 /nfs/dbraw/zinc/45/97/93/573459793.db2.gz WCJMTKYTYPDZJS-MIMYLULJSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CC2)C[N@H+]1C 308592093 573459797 /nfs/dbraw/zinc/45/97/97/573459797.db2.gz WCJMTKYTYPDZJS-MIMYLULJSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@@H]1C[NH2+][C@H]([C@H]2CCCC[NH2+]2)OC1 258369452 573460090 /nfs/dbraw/zinc/46/00/90/573460090.db2.gz GSDJXGMHKAQSII-BBBLOLIVSA-N 2 2 184.283 0.711 10 0 ACAELP C[C@@H]1C[NH2+][C@@H]([C@H]2CCCC[NH2+]2)OC1 258369483 573460216 /nfs/dbraw/zinc/46/02/16/573460216.db2.gz GSDJXGMHKAQSII-OPRDCNLKSA-N 2 2 184.283 0.711 10 0 ACAELP C[N@H+](CC(C)(C)C)[C@@H](C[NH3+])CO 130081815 573461213 /nfs/dbraw/zinc/46/12/13/573461213.db2.gz JXTQMQCKQNKDEA-QMMMGPOBSA-N 2 2 174.288 0.284 10 0 ACAELP C[N@@H+](CC(C)(C)C)[C@@H](C[NH3+])CO 130081815 573461220 /nfs/dbraw/zinc/46/12/20/573461220.db2.gz JXTQMQCKQNKDEA-QMMMGPOBSA-N 2 2 174.288 0.284 10 0 ACAELP C[N@H+](CC1CCC1)[C@@H](C[NH3+])CO 130097609 573467688 /nfs/dbraw/zinc/46/76/88/573467688.db2.gz AZHBWFKWXNEPFT-VIFPVBQESA-N 2 2 172.272 0.038 10 0 ACAELP C[N@@H+](CC1CCC1)[C@@H](C[NH3+])CO 130097609 573467696 /nfs/dbraw/zinc/46/76/96/573467696.db2.gz AZHBWFKWXNEPFT-VIFPVBQESA-N 2 2 172.272 0.038 10 0 ACAELP CC[C@@H](CO)C[NH2+]CC[NH+](C)C 258665119 573467750 /nfs/dbraw/zinc/46/77/50/573467750.db2.gz NYJOSHVQLVMRCQ-SECBINFHSA-N 2 2 174.288 0.156 10 0 ACAELP CC[C@H]([NH3+])[C@H](CCO)c1cn(C)c[nH+]1 308592742 573467198 /nfs/dbraw/zinc/46/71/98/573467198.db2.gz WOEIVMGNWAAGAT-IUCAKERBSA-N 2 2 197.282 0.623 10 0 ACAELP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@H+](C)C1 130112128 573467387 /nfs/dbraw/zinc/46/73/87/573467387.db2.gz HJUKGSFLDBKCMI-VHSXEESVSA-N 2 2 185.315 0.230 10 0 ACAELP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](C)C1 130112128 573467394 /nfs/dbraw/zinc/46/73/94/573467394.db2.gz HJUKGSFLDBKCMI-VHSXEESVSA-N 2 2 185.315 0.230 10 0 ACAELP C[N@H+](CC1CCCC1)[C@@H](C[NH3+])CO 130114293 573467440 /nfs/dbraw/zinc/46/74/40/573467440.db2.gz NACYSRHWKKVUID-JTQLQIEISA-N 2 2 186.299 0.428 10 0 ACAELP C[N@@H+](CC1CCCC1)[C@@H](C[NH3+])CO 130114293 573467446 /nfs/dbraw/zinc/46/74/46/573467446.db2.gz NACYSRHWKKVUID-JTQLQIEISA-N 2 2 186.299 0.428 10 0 ACAELP C[NH2+][C@@H](c1ccccc1)[C@H]([NH3+])CO 259463260 573472203 /nfs/dbraw/zinc/47/22/03/573472203.db2.gz PRZSEWNCTICASY-ZJUUUORDSA-N 2 2 180.251 0.267 10 0 ACAELP CC[NH+](CC)CC[NH2+]C[C@@H](C)CO 83385877 573472789 /nfs/dbraw/zinc/47/27/89/573472789.db2.gz SRSCGJMFWWHNEG-SNVBAGLBSA-N 2 2 188.315 0.546 10 0 ACAELP Cc1cc(C[C@@H]2C[NH2+]C[C@@H]2O)cc[nH+]1 714700036 573472792 /nfs/dbraw/zinc/47/27/92/573472792.db2.gz WUKYSYYRGGNWPB-MNOVXSKESA-N 2 2 192.262 0.513 10 0 ACAELP C[NH2+][C@H](C1CCC1)[C@@H]1C[NH2+]CCO1 259463205 573472822 /nfs/dbraw/zinc/47/28/22/573472822.db2.gz PRTQUSOSTIKKSR-VHSXEESVSA-N 2 2 184.283 0.363 10 0 ACAELP Nc1cc(CC2CC[NH2+]CC2)[nH+]cn1 107286442 573480729 /nfs/dbraw/zinc/48/07/29/573480729.db2.gz UWCINJIMNOHRFX-UHFFFAOYSA-N 2 2 192.266 0.601 10 0 ACAELP [NH3+]C[C@@H]1[NH2+]CCc2ccc(O)cc21 257818982 573484391 /nfs/dbraw/zinc/48/43/91/573484391.db2.gz FECPLDPZMJNPFF-JTQLQIEISA-N 2 2 178.235 0.538 10 0 ACAELP C[N@@H+]1C[C@@H]([NH3+])[C@H](CCF)C1 259106803 573483504 /nfs/dbraw/zinc/48/35/04/573483504.db2.gz FCUJCYKYODAXKT-RNFRBKRXSA-N 2 2 146.209 0.235 10 0 ACAELP C[N@H+]1C[C@@H]([NH3+])[C@H](CCF)C1 259106803 573483516 /nfs/dbraw/zinc/48/35/16/573483516.db2.gz FCUJCYKYODAXKT-RNFRBKRXSA-N 2 2 146.209 0.235 10 0 ACAELP C[NH2+][C@H](CC(C)C)[C@H]1C[NH2+]CCO1 259106772 573483741 /nfs/dbraw/zinc/48/37/41/573483741.db2.gz APHQHXBDMHTICL-NXEZZACHSA-N 2 2 186.299 0.609 10 0 ACAELP C[NH2+]C(C)(C)[C@@H]([NH3+])[C@H]1CCC[N@H+](C)C1 259108198 573496078 /nfs/dbraw/zinc/49/60/78/573496078.db2.gz BJDDXGUQIWRNOS-UWVGGRQHSA-N 3 2 199.342 0.654 10 0 ACAELP C[NH2+]C(C)(C)[C@@H]([NH3+])[C@H]1CCC[N@@H+](C)C1 259108198 573496082 /nfs/dbraw/zinc/49/60/82/573496082.db2.gz BJDDXGUQIWRNOS-UWVGGRQHSA-N 3 2 199.342 0.654 10 0 ACAELP CCCN1CC([NH2+]C2CC[NH2+]CC2)C1 393638365 573495330 /nfs/dbraw/zinc/49/53/30/573495330.db2.gz NQPVYKHYFWUPQS-UHFFFAOYSA-N 2 2 197.326 0.422 10 0 ACAELP [NH3+][C@@H](c1cccnc1)[C@H]1CCC[NH2+]1 259476178 573495355 /nfs/dbraw/zinc/49/53/55/573495355.db2.gz SCBMPSBJUYMGSN-ZJUUUORDSA-N 2 2 177.251 0.833 10 0 ACAELP C[C@@H](C[NH+](C)C)[NH2+]CC1CC[NH2+]CC1 130237210 573495567 /nfs/dbraw/zinc/49/55/67/573495567.db2.gz PDZDPJLQMXMFJD-JTQLQIEISA-N 3 2 199.342 0.526 10 0 ACAELP C[C@@H]1C[C@@H](C[NH2+]CC[NH+](C)C)CO1 162059010 573495625 /nfs/dbraw/zinc/49/56/25/573495625.db2.gz WYQOCHWLNYBYQL-ZJUUUORDSA-N 2 2 186.299 0.563 10 0 ACAELP C1COCC[C@@H]([N@@H+]2CCC[NH2+]CC2)C1 83426304 573495908 /nfs/dbraw/zinc/49/59/08/573495908.db2.gz XMWOOEWHWHDWNP-NSHDSACASA-N 2 2 198.310 0.851 10 0 ACAELP C1COCC[C@@H]([N@H+]2CCC[NH2+]CC2)C1 83426304 573495912 /nfs/dbraw/zinc/49/59/12/573495912.db2.gz XMWOOEWHWHDWNP-NSHDSACASA-N 2 2 198.310 0.851 10 0 ACAELP C[NH2+]C[C@H]1CCCn2cc[nH+]c21 107311131 573495951 /nfs/dbraw/zinc/49/59/51/573495951.db2.gz GPIATCFIQXQYIC-MRVPVSSYSA-N 2 2 165.240 0.980 10 0 ACAELP C[N@@H+]1CC[C@H]([C@H]([NH3+])[C@H]2CCC[NH2+]2)C1 259481200 573503650 /nfs/dbraw/zinc/50/36/50/573503650.db2.gz SKLNPHSDYVXOHZ-AEJSXWLSSA-N 3 2 183.299 0.017 10 0 ACAELP C[N@H+]1CC[C@H]([C@H]([NH3+])[C@H]2CCC[NH2+]2)C1 259481200 573503654 /nfs/dbraw/zinc/50/36/54/573503654.db2.gz SKLNPHSDYVXOHZ-AEJSXWLSSA-N 3 2 183.299 0.017 10 0 ACAELP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc[nH]1 258716656 573503696 /nfs/dbraw/zinc/50/36/96/573503696.db2.gz IOOIGFDHRMTZLA-MRVPVSSYSA-N 2 2 167.256 0.794 10 0 ACAELP C[NH2+][C@H]([C@H]1C[NH2+]CCO1)C(C)(C)C 259108794 573502894 /nfs/dbraw/zinc/50/28/94/573502894.db2.gz ASGSENYJAKDPLL-RKDXNWHRSA-N 2 2 186.299 0.609 10 0 ACAELP C[C@H]([NH2+][C@H](C)C[NH+](C)C)C(C)(C)O 130266408 573502896 /nfs/dbraw/zinc/50/28/96/573502896.db2.gz QJVWQEXQTQUCAQ-BDAKNGLRSA-N 2 2 188.315 0.686 10 0 ACAELP C[NH+](C)CC[NH2+][C@@H](CCO)C1CC1 308398523 573503162 /nfs/dbraw/zinc/50/31/62/573503162.db2.gz FWEUJOBHUFICSM-JTQLQIEISA-N 2 2 186.299 0.299 10 0 ACAELP C[C@H]([NH2+]C1CC([NH+](C)C)C1)C1C[NH2+]C1 686245658 573503177 /nfs/dbraw/zinc/50/31/77/573503177.db2.gz DWRHMNKOMGCSOC-PUSIOWJLSA-N 3 2 197.326 0.277 10 0 ACAELP CCC[C@@H]([NH2+]C)[C@@H]1C[NH2+]CCO1 259480073 573503232 /nfs/dbraw/zinc/50/32/32/573503232.db2.gz QPONTDUTCNBQHY-BDAKNGLRSA-N 2 2 172.272 0.363 10 0 ACAELP CCOCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 130257104 573503322 /nfs/dbraw/zinc/50/33/22/573503322.db2.gz QQEQDPLBBWKHPI-NXEZZACHSA-N 2 2 186.299 0.705 10 0 ACAELP CCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 130257104 573503328 /nfs/dbraw/zinc/50/33/28/573503328.db2.gz QQEQDPLBBWKHPI-NXEZZACHSA-N 2 2 186.299 0.705 10 0 ACAELP C[N@@H+]1CC[C@H]([C@H]([NH3+])[C@@H]2CCC[NH2+]2)C1 259481203 573503355 /nfs/dbraw/zinc/50/33/55/573503355.db2.gz SKLNPHSDYVXOHZ-GUBZILKMSA-N 3 2 183.299 0.017 10 0 ACAELP C[N@H+]1CC[C@H]([C@H]([NH3+])[C@@H]2CCC[NH2+]2)C1 259481203 573503361 /nfs/dbraw/zinc/50/33/61/573503361.db2.gz SKLNPHSDYVXOHZ-GUBZILKMSA-N 3 2 183.299 0.017 10 0 ACAELP C[NH2+]C[NH2+]CC(C)C 258711417 573503379 /nfs/dbraw/zinc/50/33/79/573503379.db2.gz SMNMWCXHKGUFAK-UHFFFAOYSA-N 2 2 116.208 0.409 10 0 ACAELP CCC[C@H]1C[N@H+](C)C[C@H]2C[NH2+]CCN12 258711894 573503444 /nfs/dbraw/zinc/50/34/44/573503444.db2.gz XBXCTCQVBQNFPN-WDEREUQCSA-N 2 2 197.326 0.374 10 0 ACAELP CCC[C@H]1C[N@@H+](C)C[C@H]2C[NH2+]CCN12 258711894 573503448 /nfs/dbraw/zinc/50/34/48/573503448.db2.gz XBXCTCQVBQNFPN-WDEREUQCSA-N 2 2 197.326 0.374 10 0 ACAELP C[C@@H]([NH2+]C1CC([NH+](C)C)C1)C1C[NH2+]C1 686245655 573504885 /nfs/dbraw/zinc/50/48/85/573504885.db2.gz DWRHMNKOMGCSOC-MFAVDMRSSA-N 3 2 197.326 0.277 10 0 ACAELP C[NH2+][C@@H]([C@@H]1C[NH2+]CCO1)C(C)(C)C 259108790 573504945 /nfs/dbraw/zinc/50/49/45/573504945.db2.gz ASGSENYJAKDPLL-IUCAKERBSA-N 2 2 186.299 0.609 10 0 ACAELP CCC[C@@H]([NH2+]C)[C@H]1C[NH2+]CCO1 259480079 573505033 /nfs/dbraw/zinc/50/50/33/573505033.db2.gz QPONTDUTCNBQHY-RKDXNWHRSA-N 2 2 172.272 0.363 10 0 ACAELP CN(C)[C@H]([NH3+])[C@@H]1CCC[N@H+](C)C1 259479792 573506802 /nfs/dbraw/zinc/50/68/02/573506802.db2.gz KQFQLYFUGUFHGM-BDAKNGLRSA-N 2 2 171.288 0.175 10 0 ACAELP CN(C)[C@H]([NH3+])[C@@H]1CCC[N@@H+](C)C1 259479792 573506809 /nfs/dbraw/zinc/50/68/09/573506809.db2.gz KQFQLYFUGUFHGM-BDAKNGLRSA-N 2 2 171.288 0.175 10 0 ACAELP CCC[C@@H]1C[N@H+](C)C[C@@H]2C[NH2+]CCN21 258711889 573506978 /nfs/dbraw/zinc/50/69/78/573506978.db2.gz XBXCTCQVBQNFPN-MNOVXSKESA-N 2 2 197.326 0.374 10 0 ACAELP CCC[C@@H]1C[N@@H+](C)C[C@@H]2C[NH2+]CCN21 258711889 573506989 /nfs/dbraw/zinc/50/69/89/573506989.db2.gz XBXCTCQVBQNFPN-MNOVXSKESA-N 2 2 197.326 0.374 10 0 ACAELP CCC[C@@H]1C[N@@H+](C)C[C@H]2C[NH2+]CCN12 258711886 573508404 /nfs/dbraw/zinc/50/84/04/573508404.db2.gz XBXCTCQVBQNFPN-GHMZBOCLSA-N 2 2 197.326 0.374 10 0 ACAELP C[C@H]([NH3+])C[N@H+](C)Cc1ccc[nH]1 258716658 573508468 /nfs/dbraw/zinc/50/84/68/573508468.db2.gz IOOIGFDHRMTZLA-QMMMGPOBSA-N 2 2 167.256 0.794 10 0 ACAELP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc[nH]1 258716658 573508473 /nfs/dbraw/zinc/50/84/73/573508473.db2.gz IOOIGFDHRMTZLA-QMMMGPOBSA-N 2 2 167.256 0.794 10 0 ACAELP COc1cccc([C@H]([NH3+])[C@H]([NH3+])CO)c1 259482450 573508527 /nfs/dbraw/zinc/50/85/27/573508527.db2.gz 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0.556 10 0 ACAELP C[NH2+]Cc1nc([C@@H]2CCC[N@H+]2C)no1 257871462 573767346 /nfs/dbraw/zinc/76/73/46/573767346.db2.gz AHAPRNNUQKZSKE-ZETCQYMHSA-N 2 2 196.254 0.556 10 0 ACAELP C[NH2+]C[N@H+](C)C1CCOCC1 258929355 573767543 /nfs/dbraw/zinc/76/75/43/573767543.db2.gz RLWPFTRAUMZSOX-UHFFFAOYSA-N 2 2 158.245 0.274 10 0 ACAELP C[NH2+]C[N@@H+](C)C1CCOCC1 258929355 573767550 /nfs/dbraw/zinc/76/75/50/573767550.db2.gz RLWPFTRAUMZSOX-UHFFFAOYSA-N 2 2 158.245 0.274 10 0 ACAELP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H](C)[NH3+] 308712172 573767646 /nfs/dbraw/zinc/76/76/46/573767646.db2.gz ZIGZTEOZGAOKLM-BDAKNGLRSA-N 3 2 196.298 0.517 10 0 ACAELP CC(C)[NH2+]CC[NH2+]CCn1cc[nH+]c1 308711744 573767741 /nfs/dbraw/zinc/76/77/41/573767741.db2.gz ZEWGVXFNEGNSGK-UHFFFAOYSA-N 3 2 196.298 0.471 10 0 ACAELP [NH3+][C@H]1CCC[C@H]1C[NH2+]CC(F)F 147868815 573770349 /nfs/dbraw/zinc/77/03/49/573770349.db2.gz TVSXHEGGWREUCT-BQBZGAKWSA-N 2 2 178.226 0.969 10 0 ACAELP C[NH2+]C[NH2+]CC[C@H]1CC[N@H+](C)C1 258933995 573770422 /nfs/dbraw/zinc/77/04/22/573770422.db2.gz SDJXKBFHNCSGIN-VIFPVBQESA-N 3 2 171.288 0.095 10 0 ACAELP C[NH2+]C[NH2+]CC[C@H]1CC[N@@H+](C)C1 258933995 573770426 /nfs/dbraw/zinc/77/04/26/573770426.db2.gz SDJXKBFHNCSGIN-VIFPVBQESA-N 3 2 171.288 0.095 10 0 ACAELP C[C@H]1C[C@H](C[NH+]2CCOCC2)C[NH2+]1 258124973 573770676 /nfs/dbraw/zinc/77/06/76/573770676.db2.gz IQGHGNZRAXYZPN-UWVGGRQHSA-N 2 2 184.283 0.317 10 0 ACAELP COCCCCn1cc[nH+]c1CC[NH3+] 131146430 573770836 /nfs/dbraw/zinc/77/08/36/573770836.db2.gz PZDUIUCARYSOLE-UHFFFAOYSA-N 2 2 197.282 0.811 10 0 ACAELP CCC[C@@H](C[NH3+])[NH2+]CCn1cc[nH+]c1 308712166 573770921 /nfs/dbraw/zinc/77/09/21/573770921.db2.gz ZHYFFXAHHXIYOA-JTQLQIEISA-N 3 2 196.298 0.600 10 0 ACAELP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H](C)[NH3+] 308712173 573771022 /nfs/dbraw/zinc/77/10/22/573771022.db2.gz ZIGZTEOZGAOKLM-DTWKUNHWSA-N 3 2 196.298 0.517 10 0 ACAELP Cc1cc(NC[C@@H]([NH3+])C[NH3+])ccc1F 258932152 573772405 /nfs/dbraw/zinc/77/24/05/573772405.db2.gz JLHFBEAOZPDUOU-QMMMGPOBSA-N 2 2 197.257 0.832 10 0 ACAELP c1[nH]c2c([nH+]1)CCN[C@H]2[C@@H]1CCC[NH2+]1 257875276 573772417 /nfs/dbraw/zinc/77/24/17/573772417.db2.gz UJMNUJMEDDCVDJ-CBAPKCEASA-N 2 2 192.266 0.349 10 0 ACAELP CC(C)(C)OCC[NH2+][C@@H]1CC[NH2+]C1 308717042 573772627 /nfs/dbraw/zinc/77/26/27/573772627.db2.gz BSGZWNWIZHSBDP-SECBINFHSA-N 2 2 186.299 0.753 10 0 ACAELP Cc1cc(NC[C@H]([NH3+])C[NH3+])ccc1F 258932150 573773206 /nfs/dbraw/zinc/77/32/06/573773206.db2.gz JLHFBEAOZPDUOU-MRVPVSSYSA-N 2 2 197.257 0.832 10 0 ACAELP c1[nH]c2c([nH+]1)CCN[C@H]2[C@H]1CCC[NH2+]1 257875273 573773233 /nfs/dbraw/zinc/77/32/33/573773233.db2.gz UJMNUJMEDDCVDJ-APPZFPTMSA-N 2 2 192.266 0.349 10 0 ACAELP C[NH2+]Cc1noc(C[C@H]2CCC[NH2+]2)n1 258126909 573774209 /nfs/dbraw/zinc/77/42/09/573774209.db2.gz UMGRHBIBINILGP-SSDOTTSWSA-N 2 2 196.254 0.084 10 0 ACAELP CC(C)(C[NH3+])[NH2+]Cc1cccnc1 146144259 573774291 /nfs/dbraw/zinc/77/42/91/573774291.db2.gz MSYDYUOXTPYSBX-UHFFFAOYSA-N 2 2 179.267 0.909 10 0 ACAELP c1[nH]c2c([nH+]1)CCN[C@@H]2[C@@H]1CCC[NH2+]1 257875280 573774872 /nfs/dbraw/zinc/77/48/72/573774872.db2.gz UJMNUJMEDDCVDJ-IONNQARKSA-N 2 2 192.266 0.349 10 0 ACAELP C[C@H]([NH2+]Cc1ccccn1)C1C[NH2+]C1 686250651 573776256 /nfs/dbraw/zinc/77/62/56/573776256.db2.gz JFQAECVNXHYWAI-VIFPVBQESA-N 2 2 191.278 0.779 10 0 ACAELP CCn1cc[nH+]c1[C@@H]1COC[C@@H]1[NH2+]C 687952415 573776363 /nfs/dbraw/zinc/77/63/63/573776363.db2.gz LBCVWNTXRJLFFV-BDAKNGLRSA-N 2 2 195.266 0.605 10 0 ACAELP F[C@@]1(C[NH2+][C@@H]2CCCO2)CC[NH2+]C1 257876327 573776421 /nfs/dbraw/zinc/77/64/21/573776421.db2.gz UQEKSXHEZBYATF-IUCAKERBSA-N 2 2 188.246 0.414 10 0 ACAELP CC(C)(C)[N@H+](CCCO)CC(N)=[NH2+] 689891839 573776465 /nfs/dbraw/zinc/77/64/65/573776465.db2.gz AWNUBFVPMVRUEU-UHFFFAOYSA-N 2 2 187.287 0.405 10 0 ACAELP CC(C)(C)[N@@H+](CCCO)CC(N)=[NH2+] 689891839 573776467 /nfs/dbraw/zinc/77/64/67/573776467.db2.gz AWNUBFVPMVRUEU-UHFFFAOYSA-N 2 2 187.287 0.405 10 0 ACAELP CC[C@@H](C)[NH2+]C[C@@H]1C[NH+]2CCN1CC2 131170986 573776550 /nfs/dbraw/zinc/77/65/50/573776550.db2.gz MBDIALRYPUYDTR-GHMZBOCLSA-N 2 2 197.326 0.374 10 0 ACAELP CC[C@H](C)[NH2+]C[C@@H]1C[NH+]2CCN1CC2 131171175 573776597 /nfs/dbraw/zinc/77/65/97/573776597.db2.gz MBDIALRYPUYDTR-WDEREUQCSA-N 2 2 197.326 0.374 10 0 ACAELP Cc1cc([C@@H]([NH3+])C[NH3+])cc2c1OCC2 238512793 573776648 /nfs/dbraw/zinc/77/66/48/573776648.db2.gz VMMCHAGYIXROOE-JTQLQIEISA-N 2 2 192.262 0.888 10 0 ACAELP Cc1cc([C@@H]([NH3+])C[NH3+])c(N)cc1F 238512432 573778578 /nfs/dbraw/zinc/77/85/78/573778578.db2.gz NMNWEJDRFBERDO-VIFPVBQESA-N 2 2 183.230 0.675 10 0 ACAELP [NH3+][C@@H]1CCCc2[nH+]c(CCCO)cn21 258128430 573778650 /nfs/dbraw/zinc/77/86/50/573778650.db2.gz CTADXNDCJIDBAP-VIFPVBQESA-N 2 2 195.266 0.602 10 0 ACAELP CCn1cc[nH+]c1[C@H]1COC[C@@H]1[NH2+]C 687952437 573778735 /nfs/dbraw/zinc/77/87/35/573778735.db2.gz LBCVWNTXRJLFFV-IUCAKERBSA-N 2 2 195.266 0.605 10 0 ACAELP FC(F)(F)C[C@H]1C[NH2+]CCC[NH2+]1 238513726 573778795 /nfs/dbraw/zinc/77/87/95/573778795.db2.gz XUWHQIUBXUDIAW-LURJTMIESA-N 2 2 182.189 0.890 10 0 ACAELP F[C@]1(C[NH2+][C@H]2CCCO2)CC[NH2+]C1 257876329 573781228 /nfs/dbraw/zinc/78/12/28/573781228.db2.gz UQEKSXHEZBYATF-RKDXNWHRSA-N 2 2 188.246 0.414 10 0 ACAELP F[C@]1(C[NH2+][C@@H]2CCCO2)CC[NH2+]C1 257876325 573781308 /nfs/dbraw/zinc/78/13/08/573781308.db2.gz UQEKSXHEZBYATF-DTWKUNHWSA-N 2 2 188.246 0.414 10 0 ACAELP [NH3+][C@@H]1CNc2[nH+]c3ccccc3n2C1 108371721 573783156 /nfs/dbraw/zinc/78/31/56/573783156.db2.gz ZRVRTXGJXMSXJB-SSDOTTSWSA-N 2 2 188.234 0.789 10 0 ACAELP CC[N@@H+]1C[C@H](C)[C@@H]([NH2+]CCOC)C1 308432432 573783380 /nfs/dbraw/zinc/78/33/80/573783380.db2.gz UKXMTUWKIFUSKU-UWVGGRQHSA-N 2 2 186.299 0.563 10 0 ACAELP CC[N@H+]1C[C@H](C)[C@@H]([NH2+]CCOC)C1 308432432 573783391 /nfs/dbraw/zinc/78/33/91/573783391.db2.gz UKXMTUWKIFUSKU-UWVGGRQHSA-N 2 2 186.299 0.563 10 0 ACAELP [NH3+]C[C@@H]([NH3+])c1ccc2ncoc2c1 258946938 573783596 /nfs/dbraw/zinc/78/35/96/573783596.db2.gz ARAJLTMIFHZWRR-SSDOTTSWSA-N 2 2 177.207 0.786 10 0 ACAELP C[NH+]1CC(Oc2ccccc2C[NH3+])C1 108373175 573786552 /nfs/dbraw/zinc/78/65/52/573786552.db2.gz BXMJCZUUJYRUPK-UHFFFAOYSA-N 2 2 192.262 0.838 10 0 ACAELP CC[NH2+]C[C@@H]([NH3+])c1ccc[nH]1 259185294 573792298 /nfs/dbraw/zinc/79/22/98/573792298.db2.gz FLEROQSMNLKHJL-SSDOTTSWSA-N 2 2 153.229 0.624 10 0 ACAELP CCn1cc[nH+]c1C[C@H]1COCC[NH2+]1 76167427 573792321 /nfs/dbraw/zinc/79/23/21/573792321.db2.gz UMROVXSCUICPKY-VIFPVBQESA-N 2 2 195.266 0.434 10 0 ACAELP Cc1[nH+]c([C@H](O)C[NH3+])n2ccccc12 76166646 573792357 /nfs/dbraw/zinc/79/23/57/573792357.db2.gz FQBGMZOIWSSFNA-SECBINFHSA-N 2 2 191.234 0.635 10 0 ACAELP C[C@H]1CCC[N@H+]1CC[NH2+]C[C@@H](C)O 127300968 573792407 /nfs/dbraw/zinc/79/24/07/573792407.db2.gz TXJHMTMBAFGVRS-VHSXEESVSA-N 2 2 186.299 0.441 10 0 ACAELP C[C@H]1CCC[N@@H+]1CC[NH2+]C[C@@H](C)O 127300968 573792408 /nfs/dbraw/zinc/79/24/08/573792408.db2.gz TXJHMTMBAFGVRS-VHSXEESVSA-N 2 2 186.299 0.441 10 0 ACAELP CN(C[C@H]([NH3+])C[NH3+])c1cccs1 258944771 573792607 /nfs/dbraw/zinc/79/26/07/573792607.db2.gz KDOCOISVPPAPKW-SSDOTTSWSA-N 2 2 185.296 0.470 10 0 ACAELP C[C@@]([NH3+])(C[NH3+])c1cccnc1 258945604 573792915 /nfs/dbraw/zinc/79/29/15/573792915.db2.gz ANHDEUPPRLCZPO-MRVPVSSYSA-N 2 2 151.213 0.214 10 0 ACAELP CCc1c[nH]c(C2(C[NH3+])CC2)[nH+]1 259189703 573793515 /nfs/dbraw/zinc/79/35/15/573793515.db2.gz WTTWACMBISFXNG-UHFFFAOYSA-N 2 2 165.240 0.962 10 0 ACAELP CC(C)[NH2+]C[C@@H](C)[NH2+]Cc1cn[nH]c1 162354816 573793603 /nfs/dbraw/zinc/79/36/03/573793603.db2.gz RGUAQCUPVJICTJ-SECBINFHSA-N 2 2 196.298 0.886 10 0 ACAELP CCCCN1CC[N@H+](C)C[C@H]1C[NH2+]C 259190215 573799125 /nfs/dbraw/zinc/79/91/25/573799125.db2.gz MGNMSFGVKBJJKY-LLVKDONJSA-N 2 2 199.342 0.622 10 0 ACAELP CCCCN1CC[N@@H+](C)C[C@H]1C[NH2+]C 259190215 573799132 /nfs/dbraw/zinc/79/91/32/573799132.db2.gz MGNMSFGVKBJJKY-LLVKDONJSA-N 2 2 199.342 0.622 10 0 ACAELP C[NH2+][C@H](c1ccc(C)o1)[C@H](O)C[NH3+] 259571841 573799265 /nfs/dbraw/zinc/79/92/65/573799265.db2.gz WSVWJZDWVPAQJV-APPZFPTMSA-N 2 2 184.239 0.168 10 0 ACAELP C1CC(C[NH2+]CC[C@@H]2COCC[NH2+]2)C1 258950189 573799454 /nfs/dbraw/zinc/79/94/54/573799454.db2.gz QSYUUJNJQCSAHJ-LLVKDONJSA-N 2 2 198.310 0.755 10 0 ACAELP C[N@H+](C[C@@H]([NH3+])CCO)C1CCC1 127307656 573799636 /nfs/dbraw/zinc/79/96/36/573799636.db2.gz IWKZFLBXUYBXCR-QMMMGPOBSA-N 2 2 172.272 0.180 10 0 ACAELP C[N@@H+](C[C@@H]([NH3+])CCO)C1CCC1 127307656 573799651 /nfs/dbraw/zinc/79/96/51/573799651.db2.gz IWKZFLBXUYBXCR-QMMMGPOBSA-N 2 2 172.272 0.180 10 0 ACAELP Cn1c[nH+]c(CNC(C)(C)C[NH3+])c1 393590438 573799859 /nfs/dbraw/zinc/79/98/59/573799859.db2.gz NBESMTLAKYFTSD-UHFFFAOYSA-N 2 2 182.271 0.247 10 0 ACAELP C[N@@H+](C1CCC1)[C@H](C[NH3+])[C@@H]1CCCO1 127226572 573799998 /nfs/dbraw/zinc/79/99/98/573799998.db2.gz KTEOADDLHSTHSV-MNOVXSKESA-N 2 2 198.310 0.977 10 0 ACAELP C[N@H+](C1CCC1)[C@H](C[NH3+])[C@@H]1CCCO1 127226572 573800003 /nfs/dbraw/zinc/80/00/03/573800003.db2.gz KTEOADDLHSTHSV-MNOVXSKESA-N 2 2 198.310 0.977 10 0 ACAELP C1CC(C[NH2+]CC[C@H]2COCC[NH2+]2)C1 258950192 573800116 /nfs/dbraw/zinc/80/01/16/573800116.db2.gz QSYUUJNJQCSAHJ-NSHDSACASA-N 2 2 198.310 0.755 10 0 ACAELP CC[C@H](C)[NH2+]CC[NH2+]C[C@H](C)O 127303328 573800231 /nfs/dbraw/zinc/80/02/31/573800231.db2.gz YANBATPHDCXAGD-IUCAKERBSA-N 2 2 174.288 0.345 10 0 ACAELP C[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C 308746938 573801336 /nfs/dbraw/zinc/80/13/36/573801336.db2.gz RSANLGSGYJXWJD-YWVKMMECSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C 308746938 573801342 /nfs/dbraw/zinc/80/13/42/573801342.db2.gz RSANLGSGYJXWJD-YWVKMMECSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@@H](C[NH+]1CCCC1)[NH2+]CCCO 43444238 573802852 /nfs/dbraw/zinc/80/28/52/573802852.db2.gz XYVDEISKBKGZCN-JTQLQIEISA-N 2 2 186.299 0.443 10 0 ACAELP C[NH2+][C@H](C)C[N@H+](CCOC)C(C)C 131248214 573802322 /nfs/dbraw/zinc/80/23/22/573802322.db2.gz IJSAUUCEYLNMSD-SNVBAGLBSA-N 2 2 188.315 0.951 10 0 ACAELP C[NH2+][C@H](C)C[N@@H+](CCOC)C(C)C 131248214 573802328 /nfs/dbraw/zinc/80/23/28/573802328.db2.gz IJSAUUCEYLNMSD-SNVBAGLBSA-N 2 2 188.315 0.951 10 0 ACAELP C[NH+](C)CC[C@@H]1[NH2+]C(C)(C)CO1 258428568 573802376 /nfs/dbraw/zinc/80/23/76/573802376.db2.gz JJLRIOSIVGQODR-MRVPVSSYSA-N 2 2 172.272 0.663 10 0 ACAELP CN(CC1C[NH2+]C1)c1cccc[nH+]1 258954419 573802386 /nfs/dbraw/zinc/80/23/86/573802386.db2.gz RQTURIPORDXBNZ-UHFFFAOYSA-N 2 2 177.251 0.737 10 0 ACAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCCO 43444245 573802521 /nfs/dbraw/zinc/80/25/21/573802521.db2.gz BAGCOMGJKQWWIG-VIFPVBQESA-N 2 2 183.255 0.244 10 0 ACAELP OCCCC[NH2+][C@@H]1C[NH+]2CCC1CC2 43445413 573802608 /nfs/dbraw/zinc/80/26/08/573802608.db2.gz DFWVDQIIDZMYCO-LLVKDONJSA-N 2 2 198.310 0.443 10 0 ACAELP C[NH2+][C@@H](C)C[N@H+](CCOC)C(C)C 131248423 573802631 /nfs/dbraw/zinc/80/26/31/573802631.db2.gz IJSAUUCEYLNMSD-JTQLQIEISA-N 2 2 188.315 0.951 10 0 ACAELP C[NH2+][C@@H](C)C[N@@H+](CCOC)C(C)C 131248423 573802635 /nfs/dbraw/zinc/80/26/35/573802635.db2.gz IJSAUUCEYLNMSD-JTQLQIEISA-N 2 2 188.315 0.951 10 0 ACAELP C[N@@H+]1CCC[C@@H]1C[NH2+]C/C=C/CO 717557879 573802748 /nfs/dbraw/zinc/80/27/48/573802748.db2.gz WYCLJLGGRFUHMG-VMZHVLLKSA-N 2 2 184.283 0.219 10 0 ACAELP C[N@H+]1CCC[C@@H]1C[NH2+]C/C=C/CO 717557879 573802752 /nfs/dbraw/zinc/80/27/52/573802752.db2.gz WYCLJLGGRFUHMG-VMZHVLLKSA-N 2 2 184.283 0.219 10 0 ACAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]CCCO 43444243 573803207 /nfs/dbraw/zinc/80/32/07/573803207.db2.gz NMEIUDQAIJGKMB-SNVBAGLBSA-N 2 2 188.315 0.545 10 0 ACAELP CC[NH2+][C@H]1CC[N@@H+](C2CC(OC)C2)C1 233620495 573803530 /nfs/dbraw/zinc/80/35/30/573803530.db2.gz KJCLLVSKQGXFHN-WHXUTIOJSA-N 2 2 198.310 0.848 10 0 ACAELP CC[NH2+][C@H]1CC[N@H+](C2CC(OC)C2)C1 233620495 573803534 /nfs/dbraw/zinc/80/35/34/573803534.db2.gz KJCLLVSKQGXFHN-WHXUTIOJSA-N 2 2 198.310 0.848 10 0 ACAELP [NH3+]C[NH2+]CCc1ccc[nH]1 258954633 573803573 /nfs/dbraw/zinc/80/35/73/573803573.db2.gz VENHXLVAHQANQN-UHFFFAOYSA-N 2 2 139.202 0.063 10 0 ACAELP CC(C)[C@H](C[NH+](C)C)[NH2+]CCCO 43444244 573803684 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195.266 0.383 10 0 ACAELP C[NH2+][C@H](C)c1nc([C@H]2CCC[NH2+]2)no1 258135729 573806424 /nfs/dbraw/zinc/80/64/24/573806424.db2.gz VBIOFKUCOMYECX-RNFRBKRXSA-N 2 2 196.254 0.775 10 0 ACAELP C[C@H](Cn1cc[nH+]c1)[NH2+]CCCCO 43445656 573806509 /nfs/dbraw/zinc/80/65/09/573806509.db2.gz WGJPWZMJJTUGFA-SNVBAGLBSA-N 2 2 197.282 0.634 10 0 ACAELP C[NH2+][C@H](C)c1nc([C@@H]2CCC[NH2+]2)no1 258135730 573806521 /nfs/dbraw/zinc/80/65/21/573806521.db2.gz VBIOFKUCOMYECX-RQJHMYQMSA-N 2 2 196.254 0.775 10 0 ACAELP C[N@@H+]1CC[C@@H]([NH2+]CCCCO)C1 43445613 573809343 /nfs/dbraw/zinc/80/93/43/573809343.db2.gz BJJKNUJYWYPDRB-SECBINFHSA-N 2 2 172.272 0.053 10 0 ACAELP C[N@H+]1CC[C@@H]([NH2+]CCCCO)C1 43445613 573809348 /nfs/dbraw/zinc/80/93/48/573809348.db2.gz BJJKNUJYWYPDRB-SECBINFHSA-N 2 2 172.272 0.053 10 0 ACAELP C[N@@H+](CC1CCC1)C[C@@H](N)C[NH3+] 258956079 573809439 /nfs/dbraw/zinc/80/94/39/573809439.db2.gz KRSGKHODBGDKOV-VIFPVBQESA-N 2 2 171.288 0.004 10 0 ACAELP C[N@H+](CC1CCC1)C[C@@H](N)C[NH3+] 258956079 573809448 /nfs/dbraw/zinc/80/94/48/573809448.db2.gz KRSGKHODBGDKOV-VIFPVBQESA-N 2 2 171.288 0.004 10 0 ACAELP [NH3+]C[C@@H]([NH3+])CNc1cccs1 259196501 573809572 /nfs/dbraw/zinc/80/95/72/573809572.db2.gz WRTGHVXSNKZJOJ-ZCFIWIBFSA-N 2 2 171.269 0.446 10 0 ACAELP C[NH2+]C[C@@H]1C[N@@H+](C2CCC2)CCO1 125158411 573811666 /nfs/dbraw/zinc/81/16/66/573811666.db2.gz YOKCJGKCEKUVIU-SNVBAGLBSA-N 2 2 184.283 0.459 10 0 ACAELP C[NH2+]C[C@@H]1C[N@H+](C2CCC2)CCO1 125158411 573811670 /nfs/dbraw/zinc/81/16/70/573811670.db2.gz YOKCJGKCEKUVIU-SNVBAGLBSA-N 2 2 184.283 0.459 10 0 ACAELP C[N@H+](CCC(C)(C)C)C[C@@H](N)C[NH3+] 259199706 573811890 /nfs/dbraw/zinc/81/18/90/573811890.db2.gz WUMWLNZJBMDKRV-VIFPVBQESA-N 2 2 187.331 0.640 10 0 ACAELP [NH3+]CC1C[NH+](Cc2ccc(O)cc2)C1 87183501 573811892 /nfs/dbraw/zinc/81/18/92/573811892.db2.gz YQCOMHCEHGZEEL-UHFFFAOYSA-N 2 2 192.262 0.783 10 0 ACAELP C[N@@H+](CCC(C)(C)C)C[C@@H](N)C[NH3+] 259199706 573811898 /nfs/dbraw/zinc/81/18/98/573811898.db2.gz 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573819385 /nfs/dbraw/zinc/81/93/85/573819385.db2.gz SHBDIRAKKXTFMT-FXPVBKGRSA-N 2 2 198.310 0.704 10 0 ACAELP C[C@H]1C[C@H]([NH2+]C2COC2)[C@H](C)C[N@@H+]1C 87194602 573819431 /nfs/dbraw/zinc/81/94/31/573819431.db2.gz SHBDIRAKKXTFMT-YWVKMMECSA-N 2 2 198.310 0.704 10 0 ACAELP C[C@H]1C[C@H]([NH2+]C2COC2)[C@H](C)C[N@H+]1C 87194602 573819433 /nfs/dbraw/zinc/81/94/33/573819433.db2.gz SHBDIRAKKXTFMT-YWVKMMECSA-N 2 2 198.310 0.704 10 0 ACAELP Cc1cccc(N)c1[C@@H]([NH3+])C[NH3+] 238530628 573819445 /nfs/dbraw/zinc/81/94/45/573819445.db2.gz NEDVINWJCOZBGL-QMMMGPOBSA-N 2 2 165.240 0.536 10 0 ACAELP c1cn(CC[NH2+]CC2CC2)c[nH+]1 41050957 573820933 /nfs/dbraw/zinc/82/09/33/573820933.db2.gz ZCKVNPSCDHGTHV-UHFFFAOYSA-N 2 2 165.240 0.883 10 0 ACAELP Cc1cc([C@H]([NH3+])C[NH3+])cc2c1OCC2 238523373 573821145 /nfs/dbraw/zinc/82/11/45/573821145.db2.gz VMMCHAGYIXROOE-SNVBAGLBSA-N 2 2 192.262 0.888 10 0 ACAELP CC[C@@H](C)[C@H](CO)[NH2+]CC[NH+](C)C 41050578 573821171 /nfs/dbraw/zinc/82/11/71/573821171.db2.gz 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/nfs/dbraw/zinc/89/53/63/573895363.db2.gz BKDVYLHYCVNBHL-HWOCKDDLSA-N 2 2 184.283 0.051 10 0 ACAELP Cc1ccsc1C[NH2+]C[C@@H](N)C[NH3+] 258991071 573895419 /nfs/dbraw/zinc/89/54/19/573895419.db2.gz MNOBAIOAUMEZGT-QMMMGPOBSA-N 2 2 199.323 0.432 10 0 ACAELP Cn1ccc([C@@H]2[C@H]([NH3+])CC[N@@H+]2C)c1 76603480 573895500 /nfs/dbraw/zinc/89/55/00/573895500.db2.gz ZWHCXPOLEDSLQQ-NXEZZACHSA-N 2 2 179.267 0.729 10 0 ACAELP Cn1ccc([C@@H]2[C@H]([NH3+])CC[N@H+]2C)c1 76603480 573895504 /nfs/dbraw/zinc/89/55/04/573895504.db2.gz ZWHCXPOLEDSLQQ-NXEZZACHSA-N 2 2 179.267 0.729 10 0 ACAELP C[N@@H+]1CC[C@H]([NH2+]CC2CC(O)C2)C1 84447171 573895536 /nfs/dbraw/zinc/89/55/36/573895536.db2.gz BKDVYLHYCVNBHL-KYHHOPLUSA-N 2 2 184.283 0.051 10 0 ACAELP C[N@H+]1CC[C@H]([NH2+]CC2CC(O)C2)C1 84447171 573895539 /nfs/dbraw/zinc/89/55/39/573895539.db2.gz BKDVYLHYCVNBHL-KYHHOPLUSA-N 2 2 184.283 0.051 10 0 ACAELP CC[C@@H]([NH3+])C[NH2+]Cc1cncs1 131603073 573895583 /nfs/dbraw/zinc/89/55/83/573895583.db2.gz IVCIKOJEQYCECS-SSDOTTSWSA-N 2 2 185.296 0.970 10 0 ACAELP CC(C)[C@@H](C)[N@H+](C)CC(N)=[NH2+] 102407375 573896348 /nfs/dbraw/zinc/89/63/48/573896348.db2.gz QNLVBZCGJWMTHK-SSDOTTSWSA-N 2 2 157.261 0.899 10 0 ACAELP CC(C)[C@@H](C)[N@@H+](C)CC(N)=[NH2+] 102407375 573896353 /nfs/dbraw/zinc/89/63/53/573896353.db2.gz QNLVBZCGJWMTHK-SSDOTTSWSA-N 2 2 157.261 0.899 10 0 ACAELP C[NH+]1CCC[NH2+]CCC[NH2+]CCC1 102314108 573898031 /nfs/dbraw/zinc/89/80/31/573898031.db2.gz FVJJNHIHGONSTE-UHFFFAOYSA-N 3 2 185.315 0.281 10 0 ACAELP C1C[C@@H]2C[C@@H]2[N@H+]([C@@H]2CC[NH2+]C2)C1 259231054 573902599 /nfs/dbraw/zinc/90/25/99/573902599.db2.gz BLJKFPAXLVLBCB-BBBLOLIVSA-N 2 2 166.268 0.833 10 0 ACAELP C1C[C@@H]2C[C@@H]2[N@@H+]([C@@H]2CC[NH2+]C2)C1 259231054 573902601 /nfs/dbraw/zinc/90/26/01/573902601.db2.gz BLJKFPAXLVLBCB-BBBLOLIVSA-N 2 2 166.268 0.833 10 0 ACAELP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)C[NH3+])C1 258998083 573902630 /nfs/dbraw/zinc/90/26/30/573902630.db2.gz WKTFQCACQISYAS-JTQLQIEISA-N 3 2 199.342 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WQZDLACCAAFZAG-NSHDSACASA-N 2 2 197.326 0.374 10 0 ACAELP C[NH2+]CC[NH+]1CCC(C)(OC)CC1 393570794 573908323 /nfs/dbraw/zinc/90/83/23/573908323.db2.gz XSMVFJHURUSOOS-UHFFFAOYSA-N 2 2 186.299 0.707 10 0 ACAELP CCOCn1cc[nH+]c1CC[NH3+] 44372478 573908396 /nfs/dbraw/zinc/90/83/96/573908396.db2.gz ICCHQWVPZKZALK-UHFFFAOYSA-N 2 2 169.228 0.378 10 0 ACAELP CC[C@@H]([NH3+])CC(=O)NCc1[nH]cc[nH+]1 127543463 573908408 /nfs/dbraw/zinc/90/84/08/573908408.db2.gz JALLEDXDICXZEB-SSDOTTSWSA-N 2 2 196.254 0.153 10 0 ACAELP CCC[NH2+]CC[N@H+](C)[C@@H](C)COC 44384573 573908458 /nfs/dbraw/zinc/90/84/58/573908458.db2.gz IKEZFLQOJZIHOJ-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP CCC[NH2+]CC[N@@H+](C)[C@@H](C)COC 44384573 573908466 /nfs/dbraw/zinc/90/84/66/573908466.db2.gz IKEZFLQOJZIHOJ-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP CC[NH2+][C@@H](C)C[N@H+](C)CCOC 44472258 573908614 /nfs/dbraw/zinc/90/86/14/573908614.db2.gz GLYOTLXOAHVCBJ-VIFPVBQESA-N 2 2 174.288 0.563 10 0 ACAELP CC[NH2+][C@@H](C)C[N@@H+](C)CCOC 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ACAELP CCC[N@@H+](CCO)CC[NH2+]CC 42453228 573957558 /nfs/dbraw/zinc/95/75/58/573957558.db2.gz ZXHHSDUZBWPJAO-UHFFFAOYSA-N 2 2 174.288 0.300 10 0 ACAELP C[C@H]1C[NH2+]C[C@H]1[N@@H+]1CCCO[C@H](C)C1 123205519 573957793 /nfs/dbraw/zinc/95/77/93/573957793.db2.gz STERMWLAXVGWQL-HBNTYKKESA-N 2 2 198.310 0.705 10 0 ACAELP C[C@H]1C[NH2+]C[C@H]1[N@H+]1CCCO[C@H](C)C1 123205519 573957797 /nfs/dbraw/zinc/95/77/97/573957797.db2.gz STERMWLAXVGWQL-HBNTYKKESA-N 2 2 198.310 0.705 10 0 ACAELP OC1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]23)C1 123194854 573957834 /nfs/dbraw/zinc/95/78/34/573957834.db2.gz VVFQROSVBKHAHC-WFBLGPOFSA-N 2 2 196.294 0.336 10 0 ACAELP OC1CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]23)C1 123194854 573957838 /nfs/dbraw/zinc/95/78/38/573957838.db2.gz VVFQROSVBKHAHC-WFBLGPOFSA-N 2 2 196.294 0.336 10 0 ACAELP CC[NH2+]CC[N@H+](C)C[C@H]1CCOC1 45147292 573957960 /nfs/dbraw/zinc/95/79/60/573957960.db2.gz SHXARONBZQBDLC-SNVBAGLBSA-N 2 2 186.299 0.564 10 0 ACAELP CC[NH2+]CC[N@@H+](C)C[C@H]1CCOC1 45147292 573957965 /nfs/dbraw/zinc/95/79/65/573957965.db2.gz SHXARONBZQBDLC-SNVBAGLBSA-N 2 2 186.299 0.564 10 0 ACAELP C[C@H](C[NH3+])[N@H+](C)C[C@@H]1CCCO1 42463594 573957981 /nfs/dbraw/zinc/95/79/81/573957981.db2.gz VUMHQCVGFGKREA-BDAKNGLRSA-N 2 2 172.272 0.444 10 0 ACAELP OC1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]23)C1 123195116 573959477 /nfs/dbraw/zinc/95/94/77/573959477.db2.gz VVFQROSVBKHAHC-TVUZUIDESA-N 2 2 196.294 0.336 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 42463976 573959478 /nfs/dbraw/zinc/95/94/78/573959478.db2.gz YBNOQYAZNRBGBY-AEJSXWLSSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 42463976 573959481 /nfs/dbraw/zinc/95/94/81/573959481.db2.gz YBNOQYAZNRBGBY-AEJSXWLSSA-N 2 2 186.299 0.833 10 0 ACAELP OC1CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]23)C1 123195116 573959482 /nfs/dbraw/zinc/95/94/82/573959482.db2.gz VVFQROSVBKHAHC-TVUZUIDESA-N 2 2 196.294 0.336 10 0 ACAELP C[C@H]1C[NH2+]C[C@@H]1[N@@H+]1CCCO[C@H](C)C1 123205094 573959527 /nfs/dbraw/zinc/95/95/27/573959527.db2.gz STERMWLAXVGWQL-AXFHLTTASA-N 2 2 198.310 0.705 10 0 ACAELP C[C@H]1C[NH2+]C[C@@H]1[N@H+]1CCCO[C@H](C)C1 123205094 573959535 /nfs/dbraw/zinc/95/95/35/573959535.db2.gz STERMWLAXVGWQL-AXFHLTTASA-N 2 2 198.310 0.705 10 0 ACAELP CC[C@H]([NH3+])C[N@@H+](CC)CCOC 42495958 573958582 /nfs/dbraw/zinc/95/85/82/573958582.db2.gz DCWJOARMDTUOGD-VIFPVBQESA-N 2 2 174.288 0.692 10 0 ACAELP F[C@@H]1CC[NH2+][C@]2(CC[NH2+]C2)C1 258190438 573958610 /nfs/dbraw/zinc/95/86/10/573958610.db2.gz VULCBIUVXDGNRE-HTQZYQBOSA-N 2 2 158.220 0.440 10 0 ACAELP C[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1CCCOCC1 123206612 573958894 /nfs/dbraw/zinc/95/88/94/573958894.db2.gz XUVKJERVIISGDR-ZJUUUORDSA-N 2 2 184.283 0.317 10 0 ACAELP C[C@@H]1C[NH2+]C[C@@H]1[N@H+]1CCCOCC1 123206612 573958898 /nfs/dbraw/zinc/95/88/98/573958898.db2.gz XUVKJERVIISGDR-ZJUUUORDSA-N 2 2 184.283 0.317 10 0 ACAELP Cc1nocc1C[NH2+][C@@H](C)C1C[NH2+]C1 686251745 573958940 /nfs/dbraw/zinc/95/89/40/573958940.db2.gz VVHNHMAFWGNBOR-ZETCQYMHSA-N 2 2 195.266 0.681 10 0 ACAELP CC[N@H+](CCOC)C[C@@H]1CCC[NH2+]1 42495876 573958973 /nfs/dbraw/zinc/95/89/73/573958973.db2.gz ICTLQKLNYFGFQX-JTQLQIEISA-N 2 2 186.299 0.707 10 0 ACAELP CC[N@@H+](CCOC)C[C@@H]1CCC[NH2+]1 42495876 573958976 /nfs/dbraw/zinc/95/89/76/573958976.db2.gz ICTLQKLNYFGFQX-JTQLQIEISA-N 2 2 186.299 0.707 10 0 ACAELP CCCC[N@H+](CCO)CC[NH2+]CC 42494620 573959136 /nfs/dbraw/zinc/95/91/36/573959136.db2.gz QIMOBQARYVCFKG-UHFFFAOYSA-N 2 2 188.315 0.690 10 0 ACAELP CCCC[N@@H+](CCO)CC[NH2+]CC 42494620 573959144 /nfs/dbraw/zinc/95/91/44/573959144.db2.gz QIMOBQARYVCFKG-UHFFFAOYSA-N 2 2 188.315 0.690 10 0 ACAELP CC[C@H]([NH3+])C[N@H+](C)C[C@@H]1CCCO1 42466562 573959370 /nfs/dbraw/zinc/95/93/70/573959370.db2.gz UEFSKTIQOVLGMN-UWVGGRQHSA-N 2 2 186.299 0.835 10 0 ACAELP CC[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCCO1 42466562 573959376 /nfs/dbraw/zinc/95/93/76/573959376.db2.gz UEFSKTIQOVLGMN-UWVGGRQHSA-N 2 2 186.299 0.835 10 0 ACAELP C[NH2+][C@@H](C)c1noc([C@@H]2CC[NH2+]C2)n1 257913048 573959441 /nfs/dbraw/zinc/95/94/41/573959441.db2.gz FNHQQGRTRYIZFU-NKWVEPMBSA-N 2 2 196.254 0.427 10 0 ACAELP CC[NH2+][C@@]1(CCO)C[C@@H](C)[N@H+](C)C1 127897340 573962451 /nfs/dbraw/zinc/96/24/51/573962451.db2.gz ZANPIQVCJJCFSS-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP CC[NH2+][C@@]1(CCO)C[C@@H](C)[N@@H+](C)C1 127897340 573962452 /nfs/dbraw/zinc/96/24/52/573962452.db2.gz ZANPIQVCJJCFSS-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP F[C@H]1CC[NH2+][C@@]2(CC[NH2+]C2)C1 258190448 573962460 /nfs/dbraw/zinc/96/24/60/573962460.db2.gz VULCBIUVXDGNRE-YUMQZZPRSA-N 2 2 158.220 0.440 10 0 ACAELP CC[C@H](C[NH3+])[N@H+](C)CCOC 42458698 573962579 /nfs/dbraw/zinc/96/25/79/573962579.db2.gz KWBRTYURNALLTQ-MRVPVSSYSA-N 2 2 160.261 0.302 10 0 ACAELP CC[C@H](C[NH3+])[N@@H+](C)CCOC 42458698 573962583 /nfs/dbraw/zinc/96/25/83/573962583.db2.gz KWBRTYURNALLTQ-MRVPVSSYSA-N 2 2 160.261 0.302 10 0 ACAELP CCC[N@@H+]1CCN(CC)C[C@@H]([NH3+])C1 238216592 573962808 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195.266 0.386 10 0 ACAELP CC[C@@H]([NH3+])C/C(C)=C/[NH3+] 104399097 573972393 /nfs/dbraw/zinc/97/23/93/573972393.db2.gz FELBNXXEVQASPL-WEWAHIQMSA-N 2 2 128.219 0.976 10 0 ACAELP CC[C@@H](C[NH3+])c1[nH]cc[nH+]1 87602230 573972453 /nfs/dbraw/zinc/97/24/53/573972453.db2.gz BZXCWGGSAVUSOH-LURJTMIESA-N 2 2 139.202 0.862 10 0 ACAELP C[C@@H](CC[NH2+][C@H](C)C1C[NH2+]C1)[NH+](C)C 686251814 573972621 /nfs/dbraw/zinc/97/26/21/573972621.db2.gz XNLHGCUOCCEBGO-VHSXEESVSA-N 3 2 199.342 0.524 10 0 ACAELP C[C@@H]([NH2+]CC[C@@H](C)[NH+](C)C)C1C[NH2+]C1 686251812 573972710 /nfs/dbraw/zinc/97/27/10/573972710.db2.gz XNLHGCUOCCEBGO-NXEZZACHSA-N 3 2 199.342 0.524 10 0 ACAELP O[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 42541369 573974868 /nfs/dbraw/zinc/97/48/68/573974868.db2.gz JHHJUHSPDJJCNK-NXEZZACHSA-N 2 2 195.266 0.386 10 0 ACAELP C[C@H]([NH2+]CC[C@H](C)[NH+](C)C)C1C[NH2+]C1 686251813 573974973 /nfs/dbraw/zinc/97/49/73/573974973.db2.gz XNLHGCUOCCEBGO-UWVGGRQHSA-N 3 2 199.342 0.524 10 0 ACAELP CC[C@H]([NH3+])C/C(C)=C/[NH3+] 104399095 573975059 /nfs/dbraw/zinc/97/50/59/573975059.db2.gz FELBNXXEVQASPL-XPPMVYLVSA-N 2 2 128.219 0.976 10 0 ACAELP C[C@H]([NH2+]CC[C@@H](C)[NH+](C)C)C1C[NH2+]C1 686251815 573975647 /nfs/dbraw/zinc/97/56/47/573975647.db2.gz XNLHGCUOCCEBGO-ZJUUUORDSA-N 3 2 199.342 0.524 10 0 ACAELP C/C(=C\[NH3+])C[C@H](C)[NH3+] 104399921 573976044 /nfs/dbraw/zinc/97/60/44/573976044.db2.gz HIQDFVRBJIOGBI-OVCGOVNKSA-N 2 2 114.192 0.586 10 0 ACAELP COCCC[NH2+][C@H]1CC[N@H+](C)C1 42546419 573978157 /nfs/dbraw/zinc/97/81/57/573978157.db2.gz FSKPKCLIAFXDRF-VIFPVBQESA-N 2 2 172.272 0.317 10 0 ACAELP COCCC[NH2+][C@H]1CC[N@@H+](C)C1 42546419 573978164 /nfs/dbraw/zinc/97/81/64/573978164.db2.gz FSKPKCLIAFXDRF-VIFPVBQESA-N 2 2 172.272 0.317 10 0 ACAELP COCCC[NH2+][C@@H]1CC[N@H+](C)C1 42546422 573978220 /nfs/dbraw/zinc/97/82/20/573978220.db2.gz FSKPKCLIAFXDRF-SECBINFHSA-N 2 2 172.272 0.317 10 0 ACAELP COCCC[NH2+][C@@H]1CC[N@@H+](C)C1 42546422 573978224 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Cc1conc1C[N@H+]1CC[C@@H](C[NH3+])C1 720370203 674068711 /nfs/dbraw/zinc/06/87/11/674068711.db2.gz SZBITWKPRPHWTF-VIFPVBQESA-N 2 2 195.266 0.764 10 0 ACAELP Cc1conc1C[N@@H+]1CC[C@H](C[NH3+])C1 720370199 674068878 /nfs/dbraw/zinc/06/88/78/674068878.db2.gz SZBITWKPRPHWTF-SECBINFHSA-N 2 2 195.266 0.764 10 0 ACAELP Cc1conc1C[N@H+]1CC[C@H](C[NH3+])C1 720370199 674068880 /nfs/dbraw/zinc/06/88/80/674068880.db2.gz SZBITWKPRPHWTF-SECBINFHSA-N 2 2 195.266 0.764 10 0 ACAELP COC(C[N@@H+]1CCC[C@@H]1C[NH3+])OC 168923714 1169289042 /nfs/dbraw/zinc/28/90/42/1169289042.db2.gz CPIYHCUPAHNRDI-MRVPVSSYSA-N 2 2 188.271 0.028 10 0 ACAELP COC(C[N@H+]1CCC[C@@H]1C[NH3+])OC 168923714 1169289047 /nfs/dbraw/zinc/28/90/47/1169289047.db2.gz CPIYHCUPAHNRDI-MRVPVSSYSA-N 2 2 188.271 0.028 10 0 ACAELP CC(C)(CO)C[NH2+][C@H]1CCC[NH2+]C1 168602008 1169289297 /nfs/dbraw/zinc/28/92/97/1169289297.db2.gz XLAQEOWFTGEHNJ-VIFPVBQESA-N 2 2 186.299 0.347 10 0 ACAELP C[C@@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C 720481205 674070621 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/nfs/dbraw/zinc/07/12/73/674071273.db2.gz LATYAMCUOCGHPV-IUCAKERBSA-N 2 2 186.299 0.426 10 0 ACAELP CC[C@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 720747447 674071275 /nfs/dbraw/zinc/07/12/75/674071275.db2.gz LATYAMCUOCGHPV-IUCAKERBSA-N 2 2 186.299 0.426 10 0 ACAELP CC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 720747446 674071435 /nfs/dbraw/zinc/07/14/35/674071435.db2.gz LATYAMCUOCGHPV-DTWKUNHWSA-N 2 2 186.299 0.426 10 0 ACAELP CC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 720747446 674071439 /nfs/dbraw/zinc/07/14/39/674071439.db2.gz LATYAMCUOCGHPV-DTWKUNHWSA-N 2 2 186.299 0.426 10 0 ACAELP C[C@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 720736654 674071489 /nfs/dbraw/zinc/07/14/89/674071489.db2.gz NWXQBCHZSGMMFE-YUMQZZPRSA-N 2 2 172.272 0.036 10 0 ACAELP C[C@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 720736654 674071491 /nfs/dbraw/zinc/07/14/91/674071491.db2.gz NWXQBCHZSGMMFE-YUMQZZPRSA-N 2 2 172.272 0.036 10 0 ACAELP C[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 720736653 674071555 /nfs/dbraw/zinc/07/15/55/674071555.db2.gz NWXQBCHZSGMMFE-JGVFFNPUSA-N 2 2 172.272 0.036 10 0 ACAELP C[C@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 720736653 674071557 /nfs/dbraw/zinc/07/15/57/674071557.db2.gz NWXQBCHZSGMMFE-JGVFFNPUSA-N 2 2 172.272 0.036 10 0 ACAELP CC(C)(CO)C[NH2+][C@@H]1CCC[NH2+]C1 168601926 1169292209 /nfs/dbraw/zinc/29/22/09/1169292209.db2.gz XLAQEOWFTGEHNJ-SECBINFHSA-N 2 2 186.299 0.347 10 0 ACAELP COCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 720904567 674075046 /nfs/dbraw/zinc/07/50/46/674075046.db2.gz RZTVJDRPKKFJLM-GHMZBOCLSA-N 2 2 198.310 0.849 10 0 ACAELP COCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 720904569 674075001 /nfs/dbraw/zinc/07/50/01/674075001.db2.gz RZTVJDRPKKFJLM-MNOVXSKESA-N 2 2 198.310 0.849 10 0 ACAELP COCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 720904569 674075002 /nfs/dbraw/zinc/07/50/02/674075002.db2.gz RZTVJDRPKKFJLM-MNOVXSKESA-N 2 2 198.310 0.849 10 0 ACAELP COCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 720904575 674075006 /nfs/dbraw/zinc/07/50/06/674075006.db2.gz RZTVJDRPKKFJLM-WDEREUQCSA-N 2 2 198.310 0.849 10 0 ACAELP COCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 720904575 674075008 /nfs/dbraw/zinc/07/50/08/674075008.db2.gz RZTVJDRPKKFJLM-WDEREUQCSA-N 2 2 198.310 0.849 10 0 ACAELP COCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 720904567 674075045 /nfs/dbraw/zinc/07/50/45/674075045.db2.gz RZTVJDRPKKFJLM-GHMZBOCLSA-N 2 2 198.310 0.849 10 0 ACAELP COCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 720904571 674075159 /nfs/dbraw/zinc/07/51/59/674075159.db2.gz RZTVJDRPKKFJLM-QWRGUYRKSA-N 2 2 198.310 0.849 10 0 ACAELP COCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 720904571 674075160 /nfs/dbraw/zinc/07/51/60/674075160.db2.gz RZTVJDRPKKFJLM-QWRGUYRKSA-N 2 2 198.310 0.849 10 0 ACAELP CC[N@@H+]1CC[NH+]2CCC1CC2 207763416 1169324539 /nfs/dbraw/zinc/32/45/39/1169324539.db2.gz XHKXDFVJJBDKJC-UHFFFAOYSA-N 2 2 154.257 0.786 10 0 ACAELP CC[N@H+]1CC[NH+]2CCC1CC2 207763416 1169324549 /nfs/dbraw/zinc/32/45/49/1169324549.db2.gz XHKXDFVJJBDKJC-UHFFFAOYSA-N 2 2 154.257 0.786 10 0 ACAELP 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172.272 0.444 10 0 ACAELP OCCCC[N@@H+]1CC[NH+]2CCC1CC2 722780351 1169766380 /nfs/dbraw/zinc/76/63/80/1169766380.db2.gz VEWQQUDZTBIMEK-UHFFFAOYSA-N 2 2 198.310 0.539 10 0 ACAELP OCCCC[N@H+]1CC[NH+]2CCC1CC2 722780351 1169766386 /nfs/dbraw/zinc/76/63/86/1169766386.db2.gz VEWQQUDZTBIMEK-UHFFFAOYSA-N 2 2 198.310 0.539 10 0 ACAELP OCCC[N@@H+]1CC[NH+]2CCC1CC2 722780279 1169766843 /nfs/dbraw/zinc/76/68/43/1169766843.db2.gz UEXNOLSSERCTKZ-UHFFFAOYSA-N 2 2 184.283 0.149 10 0 ACAELP OCCC[N@H+]1CC[NH+]2CCC1CC2 722780279 1169766848 /nfs/dbraw/zinc/76/68/48/1169766848.db2.gz UEXNOLSSERCTKZ-UHFFFAOYSA-N 2 2 184.283 0.149 10 0 ACAELP Cc1[nH]cc(CN2CC[C@@](C)([NH3+])C2)[nH+]1 724784107 1169774231 /nfs/dbraw/zinc/77/42/31/1169774231.db2.gz NBQLDFIHQFKTLD-SNVBAGLBSA-N 2 2 194.282 0.641 10 0 ACAELP OCCCC[NH+]1CC2(CC[NH2+]C2)C1 724090912 1169767177 /nfs/dbraw/zinc/76/71/77/1169767177.db2.gz HSPFGHNYKVTHOI-UHFFFAOYSA-N 2 2 184.283 0.054 10 0 ACAELP Cc1[nH]c(CN2CC[C@](C)([NH3+])C2)c[nH+]1 724784106 1169771890 /nfs/dbraw/zinc/77/18/90/1169771890.db2.gz NBQLDFIHQFKTLD-JTQLQIEISA-N 2 2 194.282 0.641 10 0 ACAELP Cc1[nH]cc(CN2CC[C@](C)([NH3+])C2)[nH+]1 724784106 1169771896 /nfs/dbraw/zinc/77/18/96/1169771896.db2.gz NBQLDFIHQFKTLD-JTQLQIEISA-N 2 2 194.282 0.641 10 0 ACAELP Cc1[nH]c(CN(C)CC[NH+](C)C)c[nH+]1 724780590 1169771982 /nfs/dbraw/zinc/77/19/82/1169771982.db2.gz BYLUGEXMKMMUAQ-UHFFFAOYSA-N 2 2 196.298 0.712 10 0 ACAELP Cc1[nH]cc(CN(C)CC[NH+](C)C)[nH+]1 724780590 1169771987 /nfs/dbraw/zinc/77/19/87/1169771987.db2.gz BYLUGEXMKMMUAQ-UHFFFAOYSA-N 2 2 196.298 0.712 10 0 ACAELP Cc1[nH]c(CN2CCC[C@@H]2C[NH3+])c[nH+]1 724774556 1169772656 /nfs/dbraw/zinc/77/26/56/1169772656.db2.gz VVSKPSNBZJEQPX-SNVBAGLBSA-N 2 2 194.282 0.641 10 0 ACAELP Cc1[nH]cc(CN2CCC[C@@H]2C[NH3+])[nH+]1 724774556 1169772659 /nfs/dbraw/zinc/77/26/59/1169772659.db2.gz VVSKPSNBZJEQPX-SNVBAGLBSA-N 2 2 194.282 0.641 10 0 ACAELP Cc1[nH]c(CN2CC[C@@H]([NH3+])C2)c[nH+]1 724774279 1169773021 /nfs/dbraw/zinc/77/30/21/1169773021.db2.gz MNYHGQHIOKMKOH-MRVPVSSYSA-N 2 2 180.255 0.251 10 0 ACAELP Cc1[nH]cc(CN2CC[C@@H]([NH3+])C2)[nH+]1 724774279 1169773027 /nfs/dbraw/zinc/77/30/27/1169773027.db2.gz MNYHGQHIOKMKOH-MRVPVSSYSA-N 2 2 180.255 0.251 10 0 ACAELP Cc1[nH]c(CN2CCC[NH2+]CC2)c[nH+]1 724774252 1169773107 /nfs/dbraw/zinc/77/31/07/1169773107.db2.gz MAFKXLUYJQIADJ-UHFFFAOYSA-N 2 2 194.282 0.513 10 0 ACAELP Cc1[nH]cc(CN2CCC[NH2+]CC2)[nH+]1 724774252 1169773114 /nfs/dbraw/zinc/77/31/14/1169773114.db2.gz MAFKXLUYJQIADJ-UHFFFAOYSA-N 2 2 194.282 0.513 10 0 ACAELP Cc1[nH]c(CN(C)C[C@H](C)[NH3+])c[nH+]1 724774709 1169773154 /nfs/dbraw/zinc/77/31/54/1169773154.db2.gz YJNSYPFELBICSK-ZETCQYMHSA-N 2 2 182.271 0.497 10 0 ACAELP Cc1[nH]cc(CN(C)C[C@H](C)[NH3+])[nH+]1 724774709 1169773161 /nfs/dbraw/zinc/77/31/61/1169773161.db2.gz YJNSYPFELBICSK-ZETCQYMHSA-N 2 2 182.271 0.497 10 0 ACAELP Cc1[nH]c(CN2C[C@@H]([NH3+])[C@H](C)C2)c[nH+]1 724774551 1169773230 /nfs/dbraw/zinc/77/32/30/1169773230.db2.gz VTQFHMLULHRSAD-GMSGAONNSA-N 2 2 194.282 0.497 10 0 ACAELP Cc1[nH]cc(CN2C[C@@H]([NH3+])[C@H](C)C2)[nH+]1 724774551 1169773237 /nfs/dbraw/zinc/77/32/37/1169773237.db2.gz VTQFHMLULHRSAD-GMSGAONNSA-N 2 2 194.282 0.497 10 0 ACAELP Cc1[nH]c(CN2CC[C@@H]([NH3+])[C@H]2C)c[nH+]1 724773898 1169774192 /nfs/dbraw/zinc/77/41/92/1169774192.db2.gz GERSJEPPWCCBED-GMSGAONNSA-N 2 2 194.282 0.640 10 0 ACAELP Cc1[nH]cc(CN2CC[C@@H]([NH3+])[C@H]2C)[nH+]1 724773898 1169774197 /nfs/dbraw/zinc/77/41/97/1169774197.db2.gz GERSJEPPWCCBED-GMSGAONNSA-N 2 2 194.282 0.640 10 0 ACAELP Cc1[nH]c(CN2CC[C@@](C)([NH3+])C2)c[nH+]1 724784107 1169774225 /nfs/dbraw/zinc/77/42/25/1169774225.db2.gz NBQLDFIHQFKTLD-SNVBAGLBSA-N 2 2 194.282 0.641 10 0 ACAELP Cc1[nH]c(CN2CC[C@H]([NH3+])C2)c[nH+]1 724774280 1169775408 /nfs/dbraw/zinc/77/54/08/1169775408.db2.gz MNYHGQHIOKMKOH-QMMMGPOBSA-N 2 2 180.255 0.251 10 0 ACAELP Cc1[nH]cc(CN2CC[C@H]([NH3+])C2)[nH+]1 724774280 1169775412 /nfs/dbraw/zinc/77/54/12/1169775412.db2.gz MNYHGQHIOKMKOH-QMMMGPOBSA-N 2 2 180.255 0.251 10 0 ACAELP C[NH+]1CCC([NH2+][C@@H]2C[C@H]2F)CC1 1256196704 1169963277 /nfs/dbraw/zinc/96/32/77/1169963277.db2.gz VZXVMQORNKPYQG-RKDXNWHRSA-N 2 2 172.247 0.781 10 0 ACAELP C[NH+]1CCC([NH2+]C2(C)COC2)CC1 1256194767 1169964072 /nfs/dbraw/zinc/96/40/72/1169964072.db2.gz NUFKSBAMHYFTFK-UHFFFAOYSA-N 2 2 184.283 0.459 10 0 ACAELP CCC(CC)[NH2+][C@@H]1COC[C@H]1[NH3+] 1257289087 1169989983 /nfs/dbraw/zinc/98/99/83/1169989983.db2.gz QXHCCTOLFFGABK-RKDXNWHRSA-N 2 2 172.272 0.491 10 0 ACAELP CCC[C@@H](C)[NH2+][C@@H]1COC[C@H]1[NH3+] 1257308479 1169996462 /nfs/dbraw/zinc/99/64/62/1169996462.db2.gz UVALVQMBNAWZGH-IWSPIJDZSA-N 2 2 172.272 0.491 10 0 ACAELP CCC[C@H](C)[NH2+][C@@H]1COC[C@H]1[NH3+] 1257308478 1169997544 /nfs/dbraw/zinc/99/75/44/1169997544.db2.gz UVALVQMBNAWZGH-DJLDLDEBSA-N 2 2 172.272 0.491 10 0 ACAELP C[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2C[NH2+]CCO2)C1 157875119 566268939 /nfs/dbraw/zinc/26/89/39/566268939.db2.gz KPELNCHWPLWJOU-MXWKQRLJSA-N 2 2 198.310 0.705 10 0 ACAELP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 157875119 566268946 /nfs/dbraw/zinc/26/89/46/566268946.db2.gz KPELNCHWPLWJOU-MXWKQRLJSA-N 2 2 198.310 0.705 10 0 ACAELP C[C@H]1C[C@@H](C)C[N@H+]1C[C@@H]1C[NH2+]CCO1 157874820 566269164 /nfs/dbraw/zinc/26/91/64/566269164.db2.gz KPELNCHWPLWJOU-VWYCJHECSA-N 2 2 198.310 0.705 10 0 ACAELP C[C@H]1C[C@@H](C)C[N@@H+]1C[C@@H]1C[NH2+]CCO1 157874820 566269185 /nfs/dbraw/zinc/26/91/85/566269185.db2.gz KPELNCHWPLWJOU-VWYCJHECSA-N 2 2 198.310 0.705 10 0 ACAELP Cc1ncccc1C1=C[C@H]([NH3+])C[NH2+]C1 675079019 566310713 /nfs/dbraw/zinc/31/07/13/566310713.db2.gz UUQICJDSAUMONU-JTQLQIEISA-N 2 2 189.262 0.704 10 0 ACAELP Cc1ncccc1C1=C[C@@H]([NH3+])C[NH2+]C1 675079020 566311012 /nfs/dbraw/zinc/31/10/12/566311012.db2.gz UUQICJDSAUMONU-SNVBAGLBSA-N 2 2 189.262 0.704 10 0 ACAELP Cc1ncc(C2=C[C@H]([NH3+])C[NH2+]C2)s1 675079330 566311068 /nfs/dbraw/zinc/31/10/68/566311068.db2.gz XOVRXYYLOGIOOM-QMMMGPOBSA-N 2 2 195.291 0.765 10 0 ACAELP [NH3+][C@@H]1C=C(c2cncc(F)c2)C[NH2+]C1 675079106 566311190 /nfs/dbraw/zinc/31/11/90/566311190.db2.gz WJCQXDDDUBTAMM-SNVBAGLBSA-N 2 2 193.225 0.535 10 0 ACAELP [NH3+][C@@H]1C=C(c2ccco2)C[NH2+]C1 675079122 566311357 /nfs/dbraw/zinc/31/13/57/566311357.db2.gz WPSLXWNTZLNCLJ-MRVPVSSYSA-N 2 2 164.208 0.594 10 0 ACAELP [NH3+][C@H]1C=C(c2ccsn2)C[NH2+]C1 675078799 566311510 /nfs/dbraw/zinc/31/15/10/566311510.db2.gz SSJLXWVKNXZDIE-ZETCQYMHSA-N 2 2 181.264 0.457 10 0 ACAELP [NH3+][C@H]1C=C(c2ccco2)C[NH2+]C1 675079123 566312047 /nfs/dbraw/zinc/31/20/47/566312047.db2.gz WPSLXWNTZLNCLJ-QMMMGPOBSA-N 2 2 164.208 0.594 10 0 ACAELP [NH3+][C@H]1C=C(c2cncc(F)c2)C[NH2+]C1 675079105 566312114 /nfs/dbraw/zinc/31/21/14/566312114.db2.gz WJCQXDDDUBTAMM-JTQLQIEISA-N 2 2 193.225 0.535 10 0 ACAELP Cc1cc(C2=C[C@@H]([NH3+])C[NH2+]C2)n(C)n1 675078673 566312614 /nfs/dbraw/zinc/31/26/14/566312614.db2.gz RGDUIPORVRBLGD-SECBINFHSA-N 2 2 192.266 0.042 10 0 ACAELP CCn1cc(C2=C[C@H]([NH3+])C[NH2+]C2)cn1 675078701 566312664 /nfs/dbraw/zinc/31/26/64/566312664.db2.gz ROBCDNSSFGNZCS-JTQLQIEISA-N 2 2 192.266 0.217 10 0 ACAELP Cc1cc(C2=C[C@H]([NH3+])C[NH2+]C2)n(C)n1 675078674 566312688 /nfs/dbraw/zinc/31/26/88/566312688.db2.gz RGDUIPORVRBLGD-VIFPVBQESA-N 2 2 192.266 0.042 10 0 ACAELP Cc1ncc(C2=C[C@@H]([NH3+])C[NH2+]C2)s1 675079325 566312732 /nfs/dbraw/zinc/31/27/32/566312732.db2.gz XOVRXYYLOGIOOM-MRVPVSSYSA-N 2 2 195.291 0.765 10 0 ACAELP [NH3+][C@@H]1C=C(Cc2ccccn2)C[NH2+]C1 675079078 566312932 /nfs/dbraw/zinc/31/29/32/566312932.db2.gz VRORBBIZPARAEZ-SNVBAGLBSA-N 2 2 189.262 0.481 10 0 ACAELP [NH3+][C@@H]1C=C(c2ccsn2)C[NH2+]C1 675078798 566312970 /nfs/dbraw/zinc/31/29/70/566312970.db2.gz SSJLXWVKNXZDIE-SSDOTTSWSA-N 2 2 181.264 0.457 10 0 ACAELP [NH3+][C@H]1C=C(Cc2ccccn2)C[NH2+]C1 675079077 566313300 /nfs/dbraw/zinc/31/33/00/566313300.db2.gz VRORBBIZPARAEZ-JTQLQIEISA-N 2 2 189.262 0.481 10 0 ACAELP CCn1cc(C2=C[C@@H]([NH3+])C[NH2+]C2)cn1 675078703 566313347 /nfs/dbraw/zinc/31/33/47/566313347.db2.gz ROBCDNSSFGNZCS-SNVBAGLBSA-N 2 2 192.266 0.217 10 0 ACAELP [NH3+][C@@H]1COC[C@H]1[NH2+]C1CCCC1 1257344361 1170008254 /nfs/dbraw/zinc/00/82/54/1170008254.db2.gz DJNIVUIQTJHFAV-RKDXNWHRSA-N 2 2 170.256 0.245 10 0 ACAELP CC[C@@H](C)[NH2+][C@@H]1COC[C@H]1[NH3+] 1257430410 1170021147 /nfs/dbraw/zinc/02/11/47/1170021147.db2.gz ONTYBOYSWVHRAN-BWZBUEFSSA-N 2 2 158.245 0.101 10 0 ACAELP CC[C@H](C)[NH2+][C@@H]1COC[C@H]1[NH3+] 1257430411 1170022024 /nfs/dbraw/zinc/02/20/24/1170022024.db2.gz ONTYBOYSWVHRAN-XLPZGREQSA-N 2 2 158.245 0.101 10 0 ACAELP [NH3+][C@@H]1COC[C@H]1[NH2+]C1CCCCC1 1257450800 1170034871 /nfs/dbraw/zinc/03/48/71/1170034871.db2.gz KDCDVLREAIJUBT-NXEZZACHSA-N 2 2 184.283 0.635 10 0 ACAELP CC1(C)CC[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])C1 1258594372 1170080028 /nfs/dbraw/zinc/08/00/28/1170080028.db2.gz GWVFVPJHUZMTFD-IVZWLZJFSA-N 2 2 198.310 0.881 10 0 ACAELP CC1(C)CC[C@@H]([NH2+][C@@H]2COC[C@H]2[NH3+])C1 1258594382 1170081969 /nfs/dbraw/zinc/08/19/69/1170081969.db2.gz GWVFVPJHUZMTFD-OPRDCNLKSA-N 2 2 198.310 0.881 10 0 ACAELP CC(C)([NH3+])c1nc(C2([NH3+])CC2)no1 1262167309 1170125819 /nfs/dbraw/zinc/12/58/19/1170125819.db2.gz HVNJEWSEYRZICI-UHFFFAOYSA-N 2 2 182.227 0.211 10 0 ACAELP CC[NH2+]Cc1nc(C2([NH3+])CC2)no1 1332035266 1170298201 /nfs/dbraw/zinc/29/82/01/1170298201.db2.gz ZWBFTIMLRBJMDZ-UHFFFAOYSA-N 2 2 182.227 0.127 10 0 ACAELP CC(C)[C@H]([NH3+])c1nc(C2([NH3+])CC2)no1 1332034324 1170300311 /nfs/dbraw/zinc/30/03/11/1170300311.db2.gz GZBOKAOIQXXRGT-LURJTMIESA-N 2 2 196.254 0.673 10 0 ACAELP CC(C)[C@@H]([NH3+])c1nc(C2([NH3+])CC2)no1 1332514670 1170309409 /nfs/dbraw/zinc/30/94/09/1170309409.db2.gz GZBOKAOIQXXRGT-ZCFIWIBFSA-N 2 2 196.254 0.673 10 0 ACAELP C[C@H]([NH3+])c1nc(C2([NH3+])CC2)no1 1332514964 1170309795 /nfs/dbraw/zinc/30/97/95/1170309795.db2.gz KBHNLCTZOKQUPG-BYPYZUCNSA-N 2 2 168.200 0.037 10 0 ACAELP CC[C@H]([NH3+])c1nc(C2([NH3+])CC2)no1 1332515718 1170310150 /nfs/dbraw/zinc/31/01/50/1170310150.db2.gz OMWAYDHGPMRONH-YFKPBYRVSA-N 2 2 182.227 0.427 10 0 ACAELP C[NH2+][C@@H](C)c1nc(C2([NH3+])CC2)no1 1332514606 1170311620 /nfs/dbraw/zinc/31/16/20/1170311620.db2.gz FRKQUCPMQHBWSK-YFKPBYRVSA-N 2 2 182.227 0.298 10 0 ACAELP C[C@@H]([NH3+])c1nc(C2([NH3+])CC2)no1 1333218572 1170321263 /nfs/dbraw/zinc/32/12/63/1170321263.db2.gz KBHNLCTZOKQUPG-SCSAIBSYSA-N 2 2 168.200 0.037 10 0 ACAELP CC(C)[NH2+]Cc1nc(C2([NH3+])CC2)no1 1334886033 1170347246 /nfs/dbraw/zinc/34/72/46/1170347246.db2.gz HPBFYXZBTVKBEV-UHFFFAOYSA-N 2 2 196.254 0.515 10 0 ACAELP CC[NH2+][C@@H](C)c1nc(C2([NH3+])CC2)no1 1334885823 1170347586 /nfs/dbraw/zinc/34/75/86/1170347586.db2.gz CIXGQFVGVNTHKY-LURJTMIESA-N 2 2 196.254 0.688 10 0 ACAELP CC[NH2+][C@H](C)c1nc(C2([NH3+])CC2)no1 1334885824 1170347768 /nfs/dbraw/zinc/34/77/68/1170347768.db2.gz CIXGQFVGVNTHKY-ZCFIWIBFSA-N 2 2 196.254 0.688 10 0 ACAELP Cc1c(CN2CC[NH2+]CC2)[nH+]cn1C 213802585 571673565 /nfs/dbraw/zinc/67/35/65/571673565.db2.gz OEHZSDVJNVSURJ-UHFFFAOYSA-N 2 2 194.282 0.134 10 0 ACAELP CC[N@H+]([C@@H](C)COC)[C@H]1CC[NH2+]C1 51783424 571673587 /nfs/dbraw/zinc/67/35/87/571673587.db2.gz OXVBPVCPYBBBSZ-UWVGGRQHSA-N 2 2 186.299 0.705 10 0 ACAELP CC[N@@H+]([C@@H](C)COC)[C@H]1CC[NH2+]C1 51783424 571673590 /nfs/dbraw/zinc/67/35/90/571673590.db2.gz OXVBPVCPYBBBSZ-UWVGGRQHSA-N 2 2 186.299 0.705 10 0 ACAELP C[C@H](OCc1ccccc1)[C@H]([NH3+])C[NH3+] 90195458 571674562 /nfs/dbraw/zinc/67/45/62/571674562.db2.gz GMSJCJJBYUOISF-GXSJLCMTSA-N 2 2 194.278 0.878 10 0 ACAELP C[NH2+]C[C@H]1CCC[N@@H+](C2COC2)C1 687715180 571675950 /nfs/dbraw/zinc/67/59/50/571675950.db2.gz AYVXBQTVLHFALA-SECBINFHSA-N 2 2 184.283 0.317 10 0 ACAELP C[NH2+]C[C@H]1CCC[N@H+](C2COC2)C1 687715180 571675953 /nfs/dbraw/zinc/67/59/53/571675953.db2.gz AYVXBQTVLHFALA-SECBINFHSA-N 2 2 184.283 0.317 10 0 ACAELP C[NH+](C)CC[NH2+]CC1CCOCC1 52171957 571676599 /nfs/dbraw/zinc/67/65/99/571676599.db2.gz QMJYIRHXFALSJT-UHFFFAOYSA-N 2 2 186.299 0.564 10 0 ACAELP C[NH2+]C[C@@H]1CCC[N@@H+](C2COC2)C1 687715181 571677836 /nfs/dbraw/zinc/67/78/36/571677836.db2.gz AYVXBQTVLHFALA-VIFPVBQESA-N 2 2 184.283 0.317 10 0 ACAELP C[NH2+]C[C@@H]1CCC[N@H+](C2COC2)C1 687715181 571677839 /nfs/dbraw/zinc/67/78/39/571677839.db2.gz AYVXBQTVLHFALA-VIFPVBQESA-N 2 2 184.283 0.317 10 0 ACAELP C[NH2+]C[C@H](C)[NH2+]C[C@@H](C)n1cncn1 234402370 571678371 /nfs/dbraw/zinc/67/83/71/571678371.db2.gz ZLXJIBSXHXDFQL-DTWKUNHWSA-N 2 2 197.286 0.037 10 0 ACAELP C[C@@H](O)C[N@H+](C[C@@H]1CCC[NH2+]1)C1CC1 235223304 571678812 /nfs/dbraw/zinc/67/88/12/571678812.db2.gz WNNTYJTYHGOQMD-ZJUUUORDSA-N 2 2 198.310 0.584 10 0 ACAELP C[C@@H](O)C[N@@H+](C[C@@H]1CCC[NH2+]1)C1CC1 235223304 571678815 /nfs/dbraw/zinc/67/88/15/571678815.db2.gz WNNTYJTYHGOQMD-ZJUUUORDSA-N 2 2 198.310 0.584 10 0 ACAELP C[C@@H](O)CC[N@H+](C)C[C@@H]1CCC[NH2+]1 235221474 571678821 /nfs/dbraw/zinc/67/88/21/571678821.db2.gz KVDVRHKKGKANEP-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP C[C@@H](O)CC[N@@H+](C)C[C@@H]1CCC[NH2+]1 235221474 571678823 /nfs/dbraw/zinc/67/88/23/571678823.db2.gz KVDVRHKKGKANEP-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP CCC[N@H+](C)CC[NH2+]C 37098572 571678857 /nfs/dbraw/zinc/67/88/57/571678857.db2.gz FMKDTXYAQSQZSJ-UHFFFAOYSA-N 2 2 130.235 0.548 10 0 ACAELP CCC[N@@H+](C)CC[NH2+]C 37098572 571678859 /nfs/dbraw/zinc/67/88/59/571678859.db2.gz FMKDTXYAQSQZSJ-UHFFFAOYSA-N 2 2 130.235 0.548 10 0 ACAELP COC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 53195300 571679763 /nfs/dbraw/zinc/67/97/63/571679763.db2.gz NEUREQIQWLOPQX-HBNTYKKESA-N 2 2 198.310 0.848 10 0 ACAELP COC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 53195300 571679765 /nfs/dbraw/zinc/67/97/65/571679765.db2.gz NEUREQIQWLOPQX-HBNTYKKESA-N 2 2 198.310 0.848 10 0 ACAELP CN(CCC[NH+](C)C)Cc1[nH]cc[nH+]1 687715275 571680087 /nfs/dbraw/zinc/68/00/87/571680087.db2.gz BRWZWDKJLVAVPM-UHFFFAOYSA-N 2 2 196.298 0.793 10 0 ACAELP C[NH2+]C[C@H](C)C[N@@H+]1CCOC[C@H]1C 52475749 571680343 /nfs/dbraw/zinc/68/03/43/571680343.db2.gz FYNRXUXRYDHBIS-VHSXEESVSA-N 2 2 186.299 0.563 10 0 ACAELP C[NH2+]C[C@H](C)C[N@H+]1CCOC[C@H]1C 52475749 571680345 /nfs/dbraw/zinc/68/03/45/571680345.db2.gz FYNRXUXRYDHBIS-VHSXEESVSA-N 2 2 186.299 0.563 10 0 ACAELP CCC[N@H+](CC)CC(N)=[NH2+] 37099251 571681147 /nfs/dbraw/zinc/68/11/47/571681147.db2.gz KVLCQBKSKLHYKE-UHFFFAOYSA-N 2 2 143.234 0.654 10 0 ACAELP CCC[N@@H+](CC)CC(N)=[NH2+] 37099251 571681150 /nfs/dbraw/zinc/68/11/50/571681150.db2.gz KVLCQBKSKLHYKE-UHFFFAOYSA-N 2 2 143.234 0.654 10 0 ACAELP COC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]12 53195302 571681636 /nfs/dbraw/zinc/68/16/36/571681636.db2.gz NEUREQIQWLOPQX-GARJFASQSA-N 2 2 198.310 0.848 10 0 ACAELP COC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]12 53195302 571681640 /nfs/dbraw/zinc/68/16/40/571681640.db2.gz NEUREQIQWLOPQX-GARJFASQSA-N 2 2 198.310 0.848 10 0 ACAELP C[NH2+]CC[C@H](C)[N@@H+]1CCOC[C@H]1C 52475840 571681834 /nfs/dbraw/zinc/68/18/34/571681834.db2.gz PHWUKGLQBHYZSK-VHSXEESVSA-N 2 2 186.299 0.705 10 0 ACAELP C[NH2+]CC[C@H](C)[N@H+]1CCOC[C@H]1C 52475840 571681835 /nfs/dbraw/zinc/68/18/35/571681835.db2.gz PHWUKGLQBHYZSK-VHSXEESVSA-N 2 2 186.299 0.705 10 0 ACAELP CC[C@@H](O)C[N@@H+]1CCC[C@H]([NH2+]C)C1 53204546 571683005 /nfs/dbraw/zinc/68/30/05/571683005.db2.gz YUFGTTFMYPGCQO-VHSXEESVSA-N 2 2 186.299 0.441 10 0 ACAELP CC[C@@H](O)C[N@H+]1CCC[C@H]([NH2+]C)C1 53204546 571683010 /nfs/dbraw/zinc/68/30/10/571683010.db2.gz YUFGTTFMYPGCQO-VHSXEESVSA-N 2 2 186.299 0.441 10 0 ACAELP C[NH2+]C[C@H](C)C[N@@H+]1CCO[C@H](C)C1 52382275 571683069 /nfs/dbraw/zinc/68/30/69/571683069.db2.gz MTFSEAGOZHBSCD-VHSXEESVSA-N 2 2 186.299 0.563 10 0 ACAELP C[NH2+]C[C@H](C)C[N@H+]1CCO[C@H](C)C1 52382275 571683072 /nfs/dbraw/zinc/68/30/72/571683072.db2.gz MTFSEAGOZHBSCD-VHSXEESVSA-N 2 2 186.299 0.563 10 0 ACAELP C[NH2+]C[C@H](C)[NH2+]CCn1cccn1 234402250 571688058 /nfs/dbraw/zinc/68/80/58/571688058.db2.gz ZYMOKIFDGXKALT-VIFPVBQESA-N 2 2 182.271 0.081 10 0 ACAELP [NH3+][C@H]1CC[N@H+](CCOC2CCCC2)C1 70558256 571688222 /nfs/dbraw/zinc/68/82/22/571688222.db2.gz BORABNIWWYZPFP-JTQLQIEISA-N 2 2 198.310 0.979 10 0 ACAELP [NH3+][C@H]1CC[N@@H+](CCOC2CCCC2)C1 70558256 571688224 /nfs/dbraw/zinc/68/82/24/571688224.db2.gz BORABNIWWYZPFP-JTQLQIEISA-N 2 2 198.310 0.979 10 0 ACAELP CC[C@@H](C)[N@H+](C)CC(N)=[NH2+] 37115201 571689032 /nfs/dbraw/zinc/68/90/32/571689032.db2.gz VMESZZNLHJMBTC-ZCFIWIBFSA-N 2 2 143.234 0.653 10 0 ACAELP CC[C@@H](C)[N@@H+](C)CC(N)=[NH2+] 37115201 571689035 /nfs/dbraw/zinc/68/90/35/571689035.db2.gz VMESZZNLHJMBTC-ZCFIWIBFSA-N 2 2 143.234 0.653 10 0 ACAELP C[NH+](C)CC[NH2+]CC1(C)COC1 70616836 571689427 /nfs/dbraw/zinc/68/94/27/571689427.db2.gz VQYYSPHTLPEBHH-UHFFFAOYSA-N 2 2 172.272 0.174 10 0 ACAELP C[NH2+]C[C@H](C)[NH2+]Cc1cc[nH]c(=O)c1 234403136 571689730 /nfs/dbraw/zinc/68/97/30/571689730.db2.gz BZCUPTIXMRJQOK-QMMMGPOBSA-N 2 2 195.266 0.072 10 0 ACAELP C[NH2+]C[C@H](C)[NH2+]C[C@H](C)n1cncn1 234402581 571689860 /nfs/dbraw/zinc/68/98/60/571689860.db2.gz ZLXJIBSXHXDFQL-IUCAKERBSA-N 2 2 197.286 0.037 10 0 ACAELP C[NH+](C)CC[NH2+][C@H]1CCSC1 22209814 571689979 /nfs/dbraw/zinc/68/99/79/571689979.db2.gz TULGKGAABLPIQS-QMMMGPOBSA-N 2 2 174.313 0.643 10 0 ACAELP C[NH2+][C@@H](Cc1[nH+]ccn1C)C(F)F 234403827 571690712 /nfs/dbraw/zinc/69/07/12/571690712.db2.gz VSXOZQSLCSKKEJ-LURJTMIESA-N 2 2 189.209 0.816 10 0 ACAELP CC[C@H](C)[N@H+](C)CC(N)=[NH2+] 37115202 571690154 /nfs/dbraw/zinc/69/01/54/571690154.db2.gz VMESZZNLHJMBTC-LURJTMIESA-N 2 2 143.234 0.653 10 0 ACAELP CC[C@H](C)[N@@H+](C)CC(N)=[NH2+] 37115202 571690156 /nfs/dbraw/zinc/69/01/56/571690156.db2.gz VMESZZNLHJMBTC-LURJTMIESA-N 2 2 143.234 0.653 10 0 ACAELP C[NH2+]C[C@H](C)[NH2+]Cc1ccccc1N 234403822 571690159 /nfs/dbraw/zinc/69/01/59/571690159.db2.gz RBQJYUMLIVBAHD-VIFPVBQESA-N 2 2 193.294 0.966 10 0 ACAELP [NH3+][C@@H]1CC[N@H+](CCOC2CCCC2)C1 70558257 571690507 /nfs/dbraw/zinc/69/05/07/571690507.db2.gz BORABNIWWYZPFP-SNVBAGLBSA-N 2 2 198.310 0.979 10 0 ACAELP [NH3+][C@@H]1CC[N@@H+](CCOC2CCCC2)C1 70558257 571690511 /nfs/dbraw/zinc/69/05/11/571690511.db2.gz BORABNIWWYZPFP-SNVBAGLBSA-N 2 2 198.310 0.979 10 0 ACAELP C[NH+](C)CC[NH2+][C@@H]1CCSC1 22209811 571690871 /nfs/dbraw/zinc/69/08/71/571690871.db2.gz TULGKGAABLPIQS-MRVPVSSYSA-N 2 2 174.313 0.643 10 0 ACAELP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(=O)[nH]c1 234403170 571690936 /nfs/dbraw/zinc/69/09/36/571690936.db2.gz SJYOYEOYBITZOB-QMMMGPOBSA-N 2 2 195.266 0.072 10 0 ACAELP C[NH2+]C[C@H](C)[NH2+]Cc1c[nH]ccc1=O 234402790 571691201 /nfs/dbraw/zinc/69/12/01/571691201.db2.gz PPHMNITWVNNVKU-QMMMGPOBSA-N 2 2 195.266 0.072 10 0 ACAELP C[NH2+]C[C@H](C)NCc1cn(C)c[nH+]1 234404037 571691357 /nfs/dbraw/zinc/69/13/57/571691357.db2.gz QQPVHWONHJUJOL-QMMMGPOBSA-N 2 2 182.271 0.118 10 0 ACAELP COc1cc(C)[nH+]c(C)c1[C@@H]([NH3+])CO 213946943 571692201 /nfs/dbraw/zinc/69/22/01/571692201.db2.gz HVXKLLZDDKQTRB-QMMMGPOBSA-N 2 2 196.250 0.699 10 0 ACAELP COc1cc(C)[nH+]c(C)c1[C@@H](O)C[NH3+] 213946799 571692238 /nfs/dbraw/zinc/69/22/38/571692238.db2.gz JHUUXOMEQIDSMY-QMMMGPOBSA-N 2 2 196.250 0.699 10 0 ACAELP COc1cc(C)[nH+]c(C)c1[C@H](O)C[NH3+] 213946734 571693472 /nfs/dbraw/zinc/69/34/72/571693472.db2.gz JHUUXOMEQIDSMY-MRVPVSSYSA-N 2 2 196.250 0.699 10 0 ACAELP C[NH2+]CCC[N@@H+]1C[C@@H]2C[C@H](C1)O2 213976973 571693598 /nfs/dbraw/zinc/69/35/98/571693598.db2.gz UWUKPVNCCZOKAE-DTORHVGOSA-N 2 2 170.256 0.069 10 0 ACAELP C[NH2+]CCC[N@H+]1C[C@@H]2C[C@H](C1)O2 213976973 571693601 /nfs/dbraw/zinc/69/36/01/571693601.db2.gz UWUKPVNCCZOKAE-DTORHVGOSA-N 2 2 170.256 0.069 10 0 ACAELP COc1cc(C)[nH+]c(C)c1[C@H]([NH3+])CO 213946889 571693873 /nfs/dbraw/zinc/69/38/73/571693873.db2.gz HVXKLLZDDKQTRB-MRVPVSSYSA-N 2 2 196.250 0.699 10 0 ACAELP CC[C@@H](COC)[N@@H+](C)CC[NH3+] 70624739 571701065 /nfs/dbraw/zinc/70/10/65/571701065.db2.gz APNYYKWIRNBJRJ-QMMMGPOBSA-N 2 2 160.261 0.302 10 0 ACAELP C[C@@H]1C[N@H+](C)CC[C@@]12[C@@H]([NH3+])CC[NH+]2C 712109489 571697221 /nfs/dbraw/zinc/69/72/21/571697221.db2.gz YLXBFTHRHNLMKN-VWYCJHECSA-N 3 2 197.326 0.360 10 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CCC[NH2+]CC(=O)NCc1[nH]cc[nH+]1 70646745 571720430 /nfs/dbraw/zinc/72/04/30/571720430.db2.gz WABMDDNMBUDVBT-UHFFFAOYSA-N 2 2 196.254 0.026 10 0 ACAELP CC[C@@H](C[NH3+])C(=O)NCc1[nH]cc[nH+]1 70646421 571721838 /nfs/dbraw/zinc/72/18/38/571721838.db2.gz PTUSWUWTALTGEX-ZETCQYMHSA-N 2 2 196.254 0.011 10 0 ACAELP CC[C@H](C[NH3+])C(=O)NCc1[nH]cc[nH+]1 70646422 571721847 /nfs/dbraw/zinc/72/18/47/571721847.db2.gz PTUSWUWTALTGEX-SSDOTTSWSA-N 2 2 196.254 0.011 10 0 ACAELP C[NH+](C)Cc1c[nH+]c(N)[nH]1 139483442 571722528 /nfs/dbraw/zinc/72/25/28/571722528.db2.gz VMCGLQGCFHBQAO-UHFFFAOYSA-N 2 2 140.190 0.054 10 0 ACAELP C[C@@H]1C[C@@H]([NH2+]CCCCO)C[N@@H+]1C 235284613 571723175 /nfs/dbraw/zinc/72/31/75/571723175.db2.gz ADFKNBDYFTZQNI-NXEZZACHSA-N 2 2 186.299 0.441 10 0 ACAELP C[C@@H]1C[C@@H]([NH2+]CCCCO)C[N@H+]1C 235284613 571723177 /nfs/dbraw/zinc/72/31/77/571723177.db2.gz ADFKNBDYFTZQNI-NXEZZACHSA-N 2 2 186.299 0.441 10 0 ACAELP CC(C)[N@@H+]1CCO[C@@H](C[NH2+]C2CC2)C1 70649882 571723308 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2 2 198.310 0.848 10 0 ACAELP CC(C)[N@H+]1CCO[C@H](C[NH2+]C2CC2)C1 70649881 571724038 /nfs/dbraw/zinc/72/40/38/571724038.db2.gz HWTXXUASQDHKCR-LLVKDONJSA-N 2 2 198.310 0.848 10 0 ACAELP CC[NH2+][C@H]1CC[N@H+](CC)[C@]12CCOC2 712202730 571724487 /nfs/dbraw/zinc/72/44/87/571724487.db2.gz OWAQXZSKHNTLOR-QWRGUYRKSA-N 2 2 198.310 0.849 10 0 ACAELP CC[NH2+][C@H]1CC[N@@H+](CC)[C@]12CCOC2 712202730 571724489 /nfs/dbraw/zinc/72/44/89/571724489.db2.gz OWAQXZSKHNTLOR-QWRGUYRKSA-N 2 2 198.310 0.849 10 0 ACAELP CC[NH2+][C@@H]1CC[N@H+](CC)[C@]12CCOC2 712202726 571724616 /nfs/dbraw/zinc/72/46/16/571724616.db2.gz OWAQXZSKHNTLOR-MNOVXSKESA-N 2 2 198.310 0.849 10 0 ACAELP CC[NH2+][C@@H]1CC[N@@H+](CC)[C@]12CCOC2 712202726 571724620 /nfs/dbraw/zinc/72/46/20/571724620.db2.gz OWAQXZSKHNTLOR-MNOVXSKESA-N 2 2 198.310 0.849 10 0 ACAELP CC[N@@H+]1CC[C@@](C[NH3+])(NC2CC2)C1 393399602 571725690 /nfs/dbraw/zinc/72/56/90/571725690.db2.gz WJMYRCLRRCBPLM-JTQLQIEISA-N 2 2 183.299 0.162 10 0 ACAELP CC[N@@H+]1CC[C@](C[NH3+])(NC2CC2)C1 393399604 571725155 /nfs/dbraw/zinc/72/51/55/571725155.db2.gz WJMYRCLRRCBPLM-SNVBAGLBSA-N 2 2 183.299 0.162 10 0 ACAELP CC[N@H+]1CC[C@](C[NH3+])(NC2CC2)C1 393399604 571725157 /nfs/dbraw/zinc/72/51/57/571725157.db2.gz WJMYRCLRRCBPLM-SNVBAGLBSA-N 2 2 183.299 0.162 10 0 ACAELP C[NH2+]CC[N@H+](C)[C@H]1CCSC1 37175234 571725162 /nfs/dbraw/zinc/72/51/62/571725162.db2.gz AYBLKNZIOFNADN-QMMMGPOBSA-N 2 2 174.313 0.643 10 0 ACAELP C[NH2+]CC[N@@H+](C)[C@H]1CCSC1 37175234 571725166 /nfs/dbraw/zinc/72/51/66/571725166.db2.gz AYBLKNZIOFNADN-QMMMGPOBSA-N 2 2 174.313 0.643 10 0 ACAELP CCN1CC[C@](C[NH3+])([NH2+]C2CC2)C1 393399604 571725172 /nfs/dbraw/zinc/72/51/72/571725172.db2.gz WJMYRCLRRCBPLM-SNVBAGLBSA-N 2 2 183.299 0.162 10 0 ACAELP CC[NH2+][C@H]1CC[N@H+](CC)[C@@]12CCOC2 712202733 571725239 /nfs/dbraw/zinc/72/52/39/571725239.db2.gz OWAQXZSKHNTLOR-WDEREUQCSA-N 2 2 198.310 0.849 10 0 ACAELP CC[NH2+][C@H]1CC[N@@H+](CC)[C@@]12CCOC2 712202733 571725242 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0.398 10 0 ACAELP c1cn(CC[N@@H+]2CCSC2)c[nH+]1 687798855 571731386 /nfs/dbraw/zinc/73/13/86/571731386.db2.gz VYBITGZQWIOKBZ-UHFFFAOYSA-N 2 2 183.280 0.889 10 0 ACAELP c1cn(CC[N@H+]2CCSC2)c[nH+]1 687798855 571731389 /nfs/dbraw/zinc/73/13/89/571731389.db2.gz VYBITGZQWIOKBZ-UHFFFAOYSA-N 2 2 183.280 0.889 10 0 ACAELP Cc1ncsc1C[NH2+]C[C@H](C)[NH3+] 70838091 571733211 /nfs/dbraw/zinc/73/32/11/571733211.db2.gz DUKZABVMMCFDNH-LURJTMIESA-N 2 2 185.296 0.888 10 0 ACAELP C[N@H+]1C[C@]2(C)C[NH2+]C[C@](C)(C1)C2=O 24540603 571733821 /nfs/dbraw/zinc/73/38/21/571733821.db2.gz HWCVZNVJPMILTH-AOOOYVTPSA-N 2 2 182.267 0.117 10 0 ACAELP C[N@@H+]1C[C@]2(C)C[NH2+]C[C@](C)(C1)C2=O 24540603 571733825 /nfs/dbraw/zinc/73/38/25/571733825.db2.gz HWCVZNVJPMILTH-AOOOYVTPSA-N 2 2 182.267 0.117 10 0 ACAELP Cc1ncsc1C[NH2+]C[C@@H](C)[NH3+] 70838089 571733870 /nfs/dbraw/zinc/73/38/70/571733870.db2.gz DUKZABVMMCFDNH-ZCFIWIBFSA-N 2 2 185.296 0.888 10 0 ACAELP O[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)C1CC1 70883129 571734836 /nfs/dbraw/zinc/73/48/36/571734836.db2.gz MBCMHRSEYFVNDR-NXEZZACHSA-N 2 2 184.283 0.099 10 0 ACAELP C[N@H+]([C@H]1CC[NH2+]C1)[C@@H]1CCCC[C@@H]1O 70895972 571735035 /nfs/dbraw/zinc/73/50/35/571735035.db2.gz CBJNMJYIJSYCTR-AXFHLTTASA-N 2 2 198.310 0.584 10 0 ACAELP C[N@@H+]([C@H]1CC[NH2+]C1)[C@@H]1CCCC[C@@H]1O 70895972 571735042 /nfs/dbraw/zinc/73/50/42/571735042.db2.gz CBJNMJYIJSYCTR-AXFHLTTASA-N 2 2 198.310 0.584 10 0 ACAELP O[C@H](C[NH2+][C@H]1CCC[NH2+]C1)C1CC1 70883127 571735135 /nfs/dbraw/zinc/73/51/35/571735135.db2.gz MBCMHRSEYFVNDR-VHSXEESVSA-N 2 2 184.283 0.099 10 0 ACAELP CC[C@@](C)(CO)[NH2+]CC[NH+](C)C 38121427 571735345 /nfs/dbraw/zinc/73/53/45/571735345.db2.gz AQKSUBDIGUBTFD-VIFPVBQESA-N 2 2 174.288 0.299 10 0 ACAELP CN(CCn1cc[nH+]c1)[C@H]1CC[NH2+]C1 70895476 571735419 /nfs/dbraw/zinc/73/54/19/571735419.db2.gz IIFDYUQQXRPJQK-JTQLQIEISA-N 2 2 194.282 0.177 10 0 ACAELP CN(CCn1cc[nH+]c1)[C@@H]1CC[NH2+]C1 70895470 571735620 /nfs/dbraw/zinc/73/56/20/571735620.db2.gz IIFDYUQQXRPJQK-SNVBAGLBSA-N 2 2 194.282 0.177 10 0 ACAELP Cc1[nH]c(C[NH2+]C[C@@H](O)C2CC2)c[nH+]1 70882704 571735938 /nfs/dbraw/zinc/73/59/38/571735938.db2.gz SBNVEAFKYKTKKM-SNVBAGLBSA-N 2 2 195.266 0.579 10 0 ACAELP C[NH+](C)CCC[N@H+](C)CCC1([NH3+])CC1 398163025 571736680 /nfs/dbraw/zinc/73/66/80/571736680.db2.gz WKBCQZPDAOSXQM-UHFFFAOYSA-N 3 2 199.342 0.751 10 0 ACAELP C[NH+](C)CCC[N@@H+](C)CCC1([NH3+])CC1 398163025 571736686 /nfs/dbraw/zinc/73/66/86/571736686.db2.gz WKBCQZPDAOSXQM-UHFFFAOYSA-N 3 2 199.342 0.751 10 0 ACAELP O[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)C1CC1 70883115 571736798 /nfs/dbraw/zinc/73/67/98/571736798.db2.gz MBCMHRSEYFVNDR-UWVGGRQHSA-N 2 2 184.283 0.099 10 0 ACAELP C[N@H+]([C@H]1CC[NH2+]C1)[C@@H]1CCC[C@@H]1O 70895913 571736818 /nfs/dbraw/zinc/73/68/18/571736818.db2.gz NBMUGKKJZCJVGA-AEJSXWLSSA-N 2 2 184.283 0.194 10 0 ACAELP C[N@@H+]([C@H]1CC[NH2+]C1)[C@@H]1CCC[C@@H]1O 70895913 571736822 /nfs/dbraw/zinc/73/68/22/571736822.db2.gz NBMUGKKJZCJVGA-AEJSXWLSSA-N 2 2 184.283 0.194 10 0 ACAELP CC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH2+]C1 70895944 571736831 /nfs/dbraw/zinc/73/68/31/571736831.db2.gz PIQQFGBGECRGRC-RKDXNWHRSA-N 2 2 172.272 0.051 10 0 ACAELP CC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH2+]C1 70895944 571736833 /nfs/dbraw/zinc/73/68/33/571736833.db2.gz PIQQFGBGECRGRC-RKDXNWHRSA-N 2 2 172.272 0.051 10 0 ACAELP CCC(CC)(CO)[NH2+]CC[NH+](C)C 38121601 571737100 /nfs/dbraw/zinc/73/71/00/571737100.db2.gz UESRXMZAIZIMBL-UHFFFAOYSA-N 2 2 188.315 0.689 10 0 ACAELP Cc1[nH]c(C[NH2+]C[C@H](O)C2CC2)c[nH+]1 70882701 571737237 /nfs/dbraw/zinc/73/72/37/571737237.db2.gz SBNVEAFKYKTKKM-JTQLQIEISA-N 2 2 195.266 0.579 10 0 ACAELP CC[C@](C)(CO)[NH2+]CC[NH+](C)C 38121428 571737497 /nfs/dbraw/zinc/73/74/97/571737497.db2.gz AQKSUBDIGUBTFD-SECBINFHSA-N 2 2 174.288 0.299 10 0 ACAELP CCC[NH2+][C@@]1(CO)C[NH+]2CCC1CC2 38123459 571738590 /nfs/dbraw/zinc/73/85/90/571738590.db2.gz JEJSLYIICMSDCG-LLVKDONJSA-N 2 2 198.310 0.443 10 0 ACAELP CC[N@H+](CC(C)(C)O)[C@@H]1CC[NH2+]C1 70900402 571738212 /nfs/dbraw/zinc/73/82/12/571738212.db2.gz VIQLVIIBYOJOPJ-SECBINFHSA-N 2 2 186.299 0.441 10 0 ACAELP CC[N@@H+](CC(C)(C)O)[C@@H]1CC[NH2+]C1 70900402 571738215 /nfs/dbraw/zinc/73/82/15/571738215.db2.gz VIQLVIIBYOJOPJ-SECBINFHSA-N 2 2 186.299 0.441 10 0 ACAELP CCC[NH2+]C1(CO)CC[NH+](C)CC1 38123254 571738498 /nfs/dbraw/zinc/73/84/98/571738498.db2.gz RTUGZSAHECRTKN-UHFFFAOYSA-N 2 2 186.299 0.443 10 0 ACAELP C[NH2+][C@@H](C)C[N@@H+]1CC[C@@H](OC)C1 234414065 571738649 /nfs/dbraw/zinc/73/86/49/571738649.db2.gz FHPHYUKHYVGAEA-DTWKUNHWSA-N 2 2 172.272 0.315 10 0 ACAELP C[NH2+][C@@H](C)C[N@H+]1CC[C@@H](OC)C1 234414065 571738654 /nfs/dbraw/zinc/73/86/54/571738654.db2.gz FHPHYUKHYVGAEA-DTWKUNHWSA-N 2 2 172.272 0.315 10 0 ACAELP CC[C@@](C)(CO)[NH2+]Cc1c[nH+]c(C)[nH]1 70899601 571739111 /nfs/dbraw/zinc/73/91/11/571739111.db2.gz AWZDNMBDQDNHNQ-JTQLQIEISA-N 2 2 197.282 0.969 10 0 ACAELP CC[N@H+](CC(C)(C)O)[C@H]1CC[NH2+]C1 70900407 571739675 /nfs/dbraw/zinc/73/96/75/571739675.db2.gz VIQLVIIBYOJOPJ-VIFPVBQESA-N 2 2 186.299 0.441 10 0 ACAELP CC[N@@H+](CC(C)(C)O)[C@H]1CC[NH2+]C1 70900407 571739678 /nfs/dbraw/zinc/73/96/78/571739678.db2.gz VIQLVIIBYOJOPJ-VIFPVBQESA-N 2 2 186.299 0.441 10 0 ACAELP CCN(Cc1c[nH+]c[nH]1)[C@@H]1CC[NH2+]C1 70900701 571739890 /nfs/dbraw/zinc/73/98/90/571739890.db2.gz RXGQNZZVDRWBJD-SNVBAGLBSA-N 2 2 194.282 0.594 10 0 ACAELP CCN(Cc1c[nH]c[nH+]1)[C@@H]1CC[NH2+]C1 70900701 571739891 /nfs/dbraw/zinc/73/98/91/571739891.db2.gz RXGQNZZVDRWBJD-SNVBAGLBSA-N 2 2 194.282 0.594 10 0 ACAELP C[NH+]1CCC(CO)([NH2+]C2CCC2)CC1 712299801 571742953 /nfs/dbraw/zinc/74/29/53/571742953.db2.gz MVGODZANAMLDCB-UHFFFAOYSA-N 2 2 198.310 0.585 10 0 ACAELP CCN(Cc1c[nH+]c[nH]1)[C@H]1CC[NH2+]C1 70900705 571740421 /nfs/dbraw/zinc/74/04/21/571740421.db2.gz RXGQNZZVDRWBJD-JTQLQIEISA-N 2 2 194.282 0.594 10 0 ACAELP CCN(Cc1c[nH]c[nH+]1)[C@H]1CC[NH2+]C1 70900705 571740422 /nfs/dbraw/zinc/74/04/22/571740422.db2.gz RXGQNZZVDRWBJD-JTQLQIEISA-N 2 2 194.282 0.594 10 0 ACAELP CC[C@](C)(CO)[NH2+]Cc1c[nH+]c(C)[nH]1 70899607 571740489 /nfs/dbraw/zinc/74/04/89/571740489.db2.gz AWZDNMBDQDNHNQ-SNVBAGLBSA-N 2 2 197.282 0.969 10 0 ACAELP CC[C@@H](O)C[N@H+](CC)[C@@H]1CC[NH2+]C1 70900428 571740693 /nfs/dbraw/zinc/74/06/93/571740693.db2.gz KKOKGNNZHFFEEN-NXEZZACHSA-N 2 2 186.299 0.441 10 0 ACAELP CC[C@@H](O)C[N@@H+](CC)[C@@H]1CC[NH2+]C1 70900428 571740696 /nfs/dbraw/zinc/74/06/96/571740696.db2.gz KKOKGNNZHFFEEN-NXEZZACHSA-N 2 2 186.299 0.441 10 0 ACAELP CCC[N@H+]1C[C@H](C[NH+](C)C)N[C@H](C)C1 250073469 571743308 /nfs/dbraw/zinc/74/33/08/571743308.db2.gz ZJPKTWMJWOFVJZ-MNOVXSKESA-N 2 2 199.342 0.620 10 0 ACAELP CCC[N@@H+]1C[C@H](C[NH+](C)C)N[C@H](C)C1 250073469 571743310 /nfs/dbraw/zinc/74/33/10/571743310.db2.gz ZJPKTWMJWOFVJZ-MNOVXSKESA-N 2 2 199.342 0.620 10 0 ACAELP CCC[N@@H+]1C[C@H](C)N[C@@H](C[NH+](C)C)C1 250073474 571743755 /nfs/dbraw/zinc/74/37/55/571743755.db2.gz ZJPKTWMJWOFVJZ-QWRGUYRKSA-N 2 2 199.342 0.620 10 0 ACAELP CCC[N@H+]1C[C@H](C)N[C@@H](C[NH+](C)C)C1 250073474 571743757 /nfs/dbraw/zinc/74/37/57/571743757.db2.gz ZJPKTWMJWOFVJZ-QWRGUYRKSA-N 2 2 199.342 0.620 10 0 ACAELP NC(=[NH2+])C[N@H+](CC1CC1)C1CC1 70736627 571744416 /nfs/dbraw/zinc/74/44/16/571744416.db2.gz DQNBAQILNVAORY-UHFFFAOYSA-N 2 2 167.256 0.797 10 0 ACAELP NC(=[NH2+])C[N@@H+](CC1CC1)C1CC1 70736627 571744417 /nfs/dbraw/zinc/74/44/17/571744417.db2.gz DQNBAQILNVAORY-UHFFFAOYSA-N 2 2 167.256 0.797 10 0 ACAELP C[C@@H](CC[NH3+])[NH2+]Cc1cscn1 220518043 571746353 /nfs/dbraw/zinc/74/63/53/571746353.db2.gz CDCKAVNGKJXSRU-ZETCQYMHSA-N 2 2 185.296 0.970 10 0 ACAELP CCN(CC[NH3+])[C@@H]1CCn2cc[nH+]c21 393417679 571746880 /nfs/dbraw/zinc/74/68/80/571746880.db2.gz LLGNWGGTNSTPHY-SECBINFHSA-N 2 2 194.282 0.609 10 0 ACAELP [NH3+]C[C@@H]([NH2+]C1CCC1)c1ccncn1 712357158 571746959 /nfs/dbraw/zinc/74/69/59/571746959.db2.gz WWLYXLQFZNMQRI-SNVBAGLBSA-N 2 2 192.266 0.619 10 0 ACAELP [NH3+]C[C@H]([NH2+]C1CCC1)c1ccncn1 712357156 571747146 /nfs/dbraw/zinc/74/71/46/571747146.db2.gz WWLYXLQFZNMQRI-JTQLQIEISA-N 2 2 192.266 0.619 10 0 ACAELP CCN(CC[NH3+])[C@H]1CCn2cc[nH+]c21 393417685 571747372 /nfs/dbraw/zinc/74/73/72/571747372.db2.gz LLGNWGGTNSTPHY-VIFPVBQESA-N 2 2 194.282 0.609 10 0 ACAELP C1CC([N@@H+]2C[C@@H]3C[C@H](C2)O3)CC[NH2+]1 214309841 571747584 /nfs/dbraw/zinc/74/75/84/571747584.db2.gz GIUVKMCINNOHTP-AOOOYVTPSA-N 2 2 182.267 0.212 10 0 ACAELP C1CC([N@H+]2C[C@@H]3C[C@H](C2)O3)CC[NH2+]1 214309841 571747588 /nfs/dbraw/zinc/74/75/88/571747588.db2.gz GIUVKMCINNOHTP-AOOOYVTPSA-N 2 2 182.267 0.212 10 0 ACAELP [NH3+][C@@H](C[NH2+]CCO)c1ccccc1 141208702 571749192 /nfs/dbraw/zinc/74/91/92/571749192.db2.gz WVGVASCLFUVXIS-JTQLQIEISA-N 2 2 180.251 0.268 10 0 ACAELP C1C[C@@H](C[N@H+]2C[C@@H]3C[C@H](C2)O3)C[NH2+]1 214309413 571749216 /nfs/dbraw/zinc/74/92/16/571749216.db2.gz QAOHMYNDZFRSJY-BBBLOLIVSA-N 2 2 182.267 0.069 10 0 ACAELP C1C[C@@H](C[N@@H+]2C[C@@H]3C[C@H](C2)O3)C[NH2+]1 214309413 571749213 /nfs/dbraw/zinc/74/92/13/571749213.db2.gz QAOHMYNDZFRSJY-BBBLOLIVSA-N 2 2 182.267 0.069 10 0 ACAELP C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 141275533 571749785 /nfs/dbraw/zinc/74/97/85/571749785.db2.gz BMSCGOILIWBARW-LLVKDONJSA-N 2 2 198.310 0.660 10 0 ACAELP C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 141275533 571749787 /nfs/dbraw/zinc/74/97/87/571749787.db2.gz BMSCGOILIWBARW-LLVKDONJSA-N 2 2 198.310 0.660 10 0 ACAELP C[NH2+][C@H](C)C[N@@H+]1CC[C@@H](OC)C1 234424553 571749856 /nfs/dbraw/zinc/74/98/56/571749856.db2.gz FHPHYUKHYVGAEA-RKDXNWHRSA-N 2 2 172.272 0.315 10 0 ACAELP C[NH2+][C@H](C)C[N@H+]1CC[C@@H](OC)C1 234424553 571749859 /nfs/dbraw/zinc/74/98/59/571749859.db2.gz FHPHYUKHYVGAEA-RKDXNWHRSA-N 2 2 172.272 0.315 10 0 ACAELP [NH3+]C[C@@H]([C@@H]1CCCCO1)[NH+]1CCC1 214389410 571751410 /nfs/dbraw/zinc/75/14/10/571751410.db2.gz BCTCNRRLNRABCZ-UWVGGRQHSA-N 2 2 184.283 0.589 10 0 ACAELP C[C@H](CC[NH3+])[NH2+]Cc1c[nH]cn1 220541362 571751912 /nfs/dbraw/zinc/75/19/12/571751912.db2.gz OLQKVPCMNHZXFX-SSDOTTSWSA-N 2 2 168.244 0.237 10 0 ACAELP [NH3+]C[C@H]([C@H]1CCCCO1)[NH+]1CCC1 214389349 571751936 /nfs/dbraw/zinc/75/19/36/571751936.db2.gz BCTCNRRLNRABCZ-NXEZZACHSA-N 2 2 184.283 0.589 10 0 ACAELP [NH3+]C[C@H]([C@@H]1CCCCO1)[NH+]1CCC1 214389291 571752050 /nfs/dbraw/zinc/75/20/50/571752050.db2.gz BCTCNRRLNRABCZ-ZJUUUORDSA-N 2 2 184.283 0.589 10 0 ACAELP [NH3+]C/C=C\C[NH2+]Cc1csnn1 398218380 571752347 /nfs/dbraw/zinc/75/23/47/571752347.db2.gz CASLALAIBXMHQZ-UPHRSURJSA-N 2 2 184.268 0.143 10 0 ACAELP [NH3+]C[C@@H]([C@H]1CCCCO1)[NH+]1CCC1 214389459 571753213 /nfs/dbraw/zinc/75/32/13/571753213.db2.gz BCTCNRRLNRABCZ-VHSXEESVSA-N 2 2 184.283 0.589 10 0 ACAELP C[NH2+][C@H]1C[N@H+](C)CC[C@@H]1C 214422101 571755875 /nfs/dbraw/zinc/75/58/75/571755875.db2.gz ODJRGFSFZHLUBL-YUMQZZPRSA-N 2 2 142.246 0.546 10 0 ACAELP C[NH2+][C@H]1C[N@@H+](C)CC[C@@H]1C 214422101 571755877 /nfs/dbraw/zinc/75/58/77/571755877.db2.gz ODJRGFSFZHLUBL-YUMQZZPRSA-N 2 2 142.246 0.546 10 0 ACAELP Cn1nccc1C[NH2+]Cc1c[nH+]c[nH]1 70797589 571756903 /nfs/dbraw/zinc/75/69/03/571756903.db2.gz RYYVMOWLBFUQDK-UHFFFAOYSA-N 2 2 191.238 0.433 10 0 ACAELP [NH3+]C[C@@H]([C@@H]1CCCS1)[NH+]1CCC1 214463809 571757096 /nfs/dbraw/zinc/75/70/96/571757096.db2.gz RWXQFRMZTUJIOU-IUCAKERBSA-N 2 2 186.324 0.915 10 0 ACAELP [NH3+]C[C@H]([C@@H]1CCCS1)[NH+]1CCC1 214463699 571757179 /nfs/dbraw/zinc/75/71/79/571757179.db2.gz RWXQFRMZTUJIOU-BDAKNGLRSA-N 2 2 186.324 0.915 10 0 ACAELP [NH3+]C[C@@H]([C@H]1CCCS1)[NH+]1CCC1 214463750 571757187 /nfs/dbraw/zinc/75/71/87/571757187.db2.gz RWXQFRMZTUJIOU-DTWKUNHWSA-N 2 2 186.324 0.915 10 0 ACAELP C[NH+]1CC[C@@H](C[N@H+](C)CCC[NH3+])C1 70821582 571757997 /nfs/dbraw/zinc/75/79/97/571757997.db2.gz OOHGNVXGAJJBJQ-JTQLQIEISA-N 3 2 185.315 0.219 10 0 ACAELP C[NH+]1CC[C@@H](C[N@@H+](C)CCC[NH3+])C1 70821582 571758002 /nfs/dbraw/zinc/75/80/02/571758002.db2.gz OOHGNVXGAJJBJQ-JTQLQIEISA-N 3 2 185.315 0.219 10 0 ACAELP C[NH+](CCC[NH3+])C[C@@H]1CC[N@H+](C)C1 70821582 571758008 /nfs/dbraw/zinc/75/80/08/571758008.db2.gz OOHGNVXGAJJBJQ-JTQLQIEISA-N 3 2 185.315 0.219 10 0 ACAELP C[NH+](CCC[NH3+])C[C@@H]1CC[N@@H+](C)C1 70821582 571758013 /nfs/dbraw/zinc/75/80/13/571758013.db2.gz OOHGNVXGAJJBJQ-JTQLQIEISA-N 3 2 185.315 0.219 10 0 ACAELP C[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CC[NH+](C)C1 70821772 571758350 /nfs/dbraw/zinc/75/83/50/571758350.db2.gz BNOGHMPYALXYKF-QWRGUYRKSA-N 3 2 199.342 0.607 10 0 ACAELP C[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 70821772 571758353 /nfs/dbraw/zinc/75/83/53/571758353.db2.gz BNOGHMPYALXYKF-QWRGUYRKSA-N 3 2 199.342 0.607 10 0 ACAELP C[C@H]([NH3+])CC[NH+](C)C[C@@H]1CC[N@H+](C)C1 70821772 571758356 /nfs/dbraw/zinc/75/83/56/571758356.db2.gz BNOGHMPYALXYKF-QWRGUYRKSA-N 3 2 199.342 0.607 10 0 ACAELP C[C@H]([NH3+])CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 70821772 571758358 /nfs/dbraw/zinc/75/83/58/571758358.db2.gz BNOGHMPYALXYKF-QWRGUYRKSA-N 3 2 199.342 0.607 10 0 ACAELP C[C@H](CC[NH3+])[N@H+](C)C[C@@H]1CC[NH+](C)C1 70821563 571758389 /nfs/dbraw/zinc/75/83/89/571758389.db2.gz HPUJDVDZXZPGAP-GHMZBOCLSA-N 3 2 199.342 0.607 10 0 ACAELP C[C@H](CC[NH3+])[N@@H+](C)C[C@@H]1CC[NH+](C)C1 70821563 571758392 /nfs/dbraw/zinc/75/83/92/571758392.db2.gz HPUJDVDZXZPGAP-GHMZBOCLSA-N 3 2 199.342 0.607 10 0 ACAELP C[C@H](CC[NH3+])[NH+](C)C[C@@H]1CC[N@H+](C)C1 70821563 571758394 /nfs/dbraw/zinc/75/83/94/571758394.db2.gz HPUJDVDZXZPGAP-GHMZBOCLSA-N 3 2 199.342 0.607 10 0 ACAELP C[C@H](CC[NH3+])[NH+](C)C[C@@H]1CC[N@@H+](C)C1 70821563 571758396 /nfs/dbraw/zinc/75/83/96/571758396.db2.gz HPUJDVDZXZPGAP-GHMZBOCLSA-N 3 2 199.342 0.607 10 0 ACAELP [NH3+]C[C@H]([C@H]1CCCS1)[NH+]1CCC1 214463641 571758443 /nfs/dbraw/zinc/75/84/43/571758443.db2.gz RWXQFRMZTUJIOU-RKDXNWHRSA-N 2 2 186.324 0.915 10 0 ACAELP CC(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 70822550 571758633 /nfs/dbraw/zinc/75/86/33/571758633.db2.gz IKKLITHOKLYIHU-NSHDSACASA-N 2 2 198.310 0.849 10 0 ACAELP CC(=O)CC[N@H+](C)C[C@@H]1CC[NH+](C)C1 70822550 571758636 /nfs/dbraw/zinc/75/86/36/571758636.db2.gz IKKLITHOKLYIHU-NSHDSACASA-N 2 2 198.310 0.849 10 0 ACAELP CC(=O)CC[NH+](C)C[C@@H]1CC[N@H+](C)C1 70822550 571758639 /nfs/dbraw/zinc/75/86/39/571758639.db2.gz IKKLITHOKLYIHU-NSHDSACASA-N 2 2 198.310 0.849 10 0 ACAELP CC(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 70822550 571758642 /nfs/dbraw/zinc/75/86/42/571758642.db2.gz IKKLITHOKLYIHU-NSHDSACASA-N 2 2 198.310 0.849 10 0 ACAELP C[C@@H](C[NH3+])C[N@H+](C)C[C@@H]1CC[NH+](C)C1 70821589 571758754 /nfs/dbraw/zinc/75/87/54/571758754.db2.gz OIBNTCZUDFFXGN-WDEREUQCSA-N 3 2 199.342 0.465 10 0 ACAELP C[C@@H](C[NH3+])C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 70821589 571758756 /nfs/dbraw/zinc/75/87/56/571758756.db2.gz OIBNTCZUDFFXGN-WDEREUQCSA-N 3 2 199.342 0.465 10 0 ACAELP C[C@@H](C[NH3+])C[NH+](C)C[C@@H]1CC[N@H+](C)C1 70821589 571758759 /nfs/dbraw/zinc/75/87/59/571758759.db2.gz OIBNTCZUDFFXGN-WDEREUQCSA-N 3 2 199.342 0.465 10 0 ACAELP C[C@@H](C[NH3+])C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 70821589 571758762 /nfs/dbraw/zinc/75/87/62/571758762.db2.gz OIBNTCZUDFFXGN-WDEREUQCSA-N 3 2 199.342 0.465 10 0 ACAELP CCC(=O)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 70822707 571759103 /nfs/dbraw/zinc/75/91/03/571759103.db2.gz AXCRIKXKJDRCDL-SNVBAGLBSA-N 2 2 198.310 0.849 10 0 ACAELP CCC(=O)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 70822707 571759099 /nfs/dbraw/zinc/75/90/99/571759099.db2.gz AXCRIKXKJDRCDL-SNVBAGLBSA-N 2 2 198.310 0.849 10 0 ACAELP CCC(=O)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 70822707 571759100 /nfs/dbraw/zinc/75/91/00/571759100.db2.gz AXCRIKXKJDRCDL-SNVBAGLBSA-N 2 2 198.310 0.849 10 0 ACAELP CCC(=O)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 70822707 571759106 /nfs/dbraw/zinc/75/91/06/571759106.db2.gz AXCRIKXKJDRCDL-SNVBAGLBSA-N 2 2 198.310 0.849 10 0 ACAELP C[NH2+]CCC[N@H+](C)C[C@H]1CC[NH+](C)C1 70821822 571759220 /nfs/dbraw/zinc/75/92/20/571759220.db2.gz WGMIJRWVYKYIGD-LLVKDONJSA-N 3 2 199.342 0.479 10 0 ACAELP C[NH2+]CCC[N@@H+](C)C[C@H]1CC[NH+](C)C1 70821822 571759223 /nfs/dbraw/zinc/75/92/23/571759223.db2.gz WGMIJRWVYKYIGD-LLVKDONJSA-N 3 2 199.342 0.479 10 0 ACAELP C[NH2+]CCC[NH+](C)C[C@H]1CC[N@H+](C)C1 70821822 571759225 /nfs/dbraw/zinc/75/92/25/571759225.db2.gz WGMIJRWVYKYIGD-LLVKDONJSA-N 3 2 199.342 0.479 10 0 ACAELP C[NH2+]CCC[NH+](C)C[C@H]1CC[N@@H+](C)C1 70821822 571759229 /nfs/dbraw/zinc/75/92/29/571759229.db2.gz WGMIJRWVYKYIGD-LLVKDONJSA-N 3 2 199.342 0.479 10 0 ACAELP C[C@@H](CC[NH3+])[N@H+](C)C[C@@H]1CC[NH+](C)C1 70821560 571759312 /nfs/dbraw/zinc/75/93/12/571759312.db2.gz HPUJDVDZXZPGAP-WDEREUQCSA-N 3 2 199.342 0.607 10 0 ACAELP C[C@@H](CC[NH3+])[N@@H+](C)C[C@@H]1CC[NH+](C)C1 70821560 571759316 /nfs/dbraw/zinc/75/93/16/571759316.db2.gz HPUJDVDZXZPGAP-WDEREUQCSA-N 3 2 199.342 0.607 10 0 ACAELP C[C@@H]1C[C@H]([NH2+]CCCCO)C[N@@H+]1C 235308874 571759319 /nfs/dbraw/zinc/75/93/19/571759319.db2.gz ADFKNBDYFTZQNI-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP C[C@@H](CC[NH3+])[NH+](C)C[C@@H]1CC[N@H+](C)C1 70821560 571759320 /nfs/dbraw/zinc/75/93/20/571759320.db2.gz HPUJDVDZXZPGAP-WDEREUQCSA-N 3 2 199.342 0.607 10 0 ACAELP C[C@@H]1C[C@H]([NH2+]CCCCO)C[N@H+]1C 235308874 571759323 /nfs/dbraw/zinc/75/93/23/571759323.db2.gz ADFKNBDYFTZQNI-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP C[C@@H](CC[NH3+])[NH+](C)C[C@@H]1CC[N@@H+](C)C1 70821560 571759325 /nfs/dbraw/zinc/75/93/25/571759325.db2.gz HPUJDVDZXZPGAP-WDEREUQCSA-N 3 2 199.342 0.607 10 0 ACAELP C[NH2+]CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 70821818 571759543 /nfs/dbraw/zinc/75/95/43/571759543.db2.gz WGMIJRWVYKYIGD-NSHDSACASA-N 3 2 199.342 0.479 10 0 ACAELP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 70821818 571759545 /nfs/dbraw/zinc/75/95/45/571759545.db2.gz WGMIJRWVYKYIGD-NSHDSACASA-N 3 2 199.342 0.479 10 0 ACAELP C[NH2+]CCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 70821818 571759549 /nfs/dbraw/zinc/75/95/49/571759549.db2.gz WGMIJRWVYKYIGD-NSHDSACASA-N 3 2 199.342 0.479 10 0 ACAELP C[NH2+]CCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 70821818 571759553 /nfs/dbraw/zinc/75/95/53/571759553.db2.gz WGMIJRWVYKYIGD-NSHDSACASA-N 3 2 199.342 0.479 10 0 ACAELP C[NH+]1CC[C@H](C[N@H+](C)CCC(N)=[NH2+])C1 70822256 571759734 /nfs/dbraw/zinc/75/97/34/571759734.db2.gz PTXYBUAYSHINRF-VIFPVBQESA-N 3 2 198.314 0.196 10 0 ACAELP C[NH+]1CC[C@H](C[N@@H+](C)CCC(N)=[NH2+])C1 70822256 571759735 /nfs/dbraw/zinc/75/97/35/571759735.db2.gz PTXYBUAYSHINRF-VIFPVBQESA-N 3 2 198.314 0.196 10 0 ACAELP C[NH+](CCC(N)=[NH2+])C[C@H]1CC[N@H+](C)C1 70822256 571759738 /nfs/dbraw/zinc/75/97/38/571759738.db2.gz PTXYBUAYSHINRF-VIFPVBQESA-N 3 2 198.314 0.196 10 0 ACAELP C[NH+](CCC(N)=[NH2+])C[C@H]1CC[N@@H+](C)C1 70822256 571759741 /nfs/dbraw/zinc/75/97/41/571759741.db2.gz PTXYBUAYSHINRF-VIFPVBQESA-N 3 2 198.314 0.196 10 0 ACAELP C[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CC[NH+](C)C1 70821775 571759793 /nfs/dbraw/zinc/75/97/93/571759793.db2.gz BNOGHMPYALXYKF-MNOVXSKESA-N 3 2 199.342 0.607 10 0 ACAELP C[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 70821775 571759795 /nfs/dbraw/zinc/75/97/95/571759795.db2.gz BNOGHMPYALXYKF-MNOVXSKESA-N 3 2 199.342 0.607 10 0 ACAELP C[C@@H]([NH3+])CC[NH+](C)C[C@@H]1CC[N@H+](C)C1 70821775 571759798 /nfs/dbraw/zinc/75/97/98/571759798.db2.gz BNOGHMPYALXYKF-MNOVXSKESA-N 3 2 199.342 0.607 10 0 ACAELP C[C@@H]([NH3+])CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 70821775 571759803 /nfs/dbraw/zinc/75/98/03/571759803.db2.gz BNOGHMPYALXYKF-MNOVXSKESA-N 3 2 199.342 0.607 10 0 ACAELP CC(=O)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 70822606 571759914 /nfs/dbraw/zinc/75/99/14/571759914.db2.gz ZLKPBHJWZMPHOU-SNVBAGLBSA-N 2 2 184.283 0.459 10 0 ACAELP CC(=O)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 70822606 571759916 /nfs/dbraw/zinc/75/99/16/571759916.db2.gz ZLKPBHJWZMPHOU-SNVBAGLBSA-N 2 2 184.283 0.459 10 0 ACAELP CC(=O)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 70822606 571759919 /nfs/dbraw/zinc/75/99/19/571759919.db2.gz ZLKPBHJWZMPHOU-SNVBAGLBSA-N 2 2 184.283 0.459 10 0 ACAELP CC(=O)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 70822606 571759921 /nfs/dbraw/zinc/75/99/21/571759921.db2.gz ZLKPBHJWZMPHOU-SNVBAGLBSA-N 2 2 184.283 0.459 10 0 ACAELP CC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1 70822553 571759955 /nfs/dbraw/zinc/75/99/55/571759955.db2.gz PHBWTGWPCNDXNE-GXSJLCMTSA-N 2 2 198.310 0.847 10 0 ACAELP CC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 70822553 571759957 /nfs/dbraw/zinc/75/99/57/571759957.db2.gz PHBWTGWPCNDXNE-GXSJLCMTSA-N 2 2 198.310 0.847 10 0 ACAELP CC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)C1 70822553 571759959 /nfs/dbraw/zinc/75/99/59/571759959.db2.gz PHBWTGWPCNDXNE-GXSJLCMTSA-N 2 2 198.310 0.847 10 0 ACAELP CC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 70822553 571759962 /nfs/dbraw/zinc/75/99/62/571759962.db2.gz PHBWTGWPCNDXNE-GXSJLCMTSA-N 2 2 198.310 0.847 10 0 ACAELP C[NH+]1CC[C@H](C[N@H+](C)CCC[NH3+])C1 70821581 571760105 /nfs/dbraw/zinc/76/01/05/571760105.db2.gz OOHGNVXGAJJBJQ-SNVBAGLBSA-N 3 2 185.315 0.219 10 0 ACAELP C[NH+]1CC[C@H](C[N@@H+](C)CCC[NH3+])C1 70821581 571760106 /nfs/dbraw/zinc/76/01/06/571760106.db2.gz OOHGNVXGAJJBJQ-SNVBAGLBSA-N 3 2 185.315 0.219 10 0 ACAELP C[NH+](CCC[NH3+])C[C@H]1CC[N@H+](C)C1 70821581 571760109 /nfs/dbraw/zinc/76/01/09/571760109.db2.gz OOHGNVXGAJJBJQ-SNVBAGLBSA-N 3 2 185.315 0.219 10 0 ACAELP C[NH+](CCC[NH3+])C[C@H]1CC[N@@H+](C)C1 70821581 571760111 /nfs/dbraw/zinc/76/01/11/571760111.db2.gz OOHGNVXGAJJBJQ-SNVBAGLBSA-N 3 2 185.315 0.219 10 0 ACAELP C[C@H](C[NH3+])C[N@H+](C)C[C@@H]1CC[NH+](C)C1 70821591 571760200 /nfs/dbraw/zinc/76/02/00/571760200.db2.gz OIBNTCZUDFFXGN-GHMZBOCLSA-N 3 2 199.342 0.465 10 0 ACAELP C[C@H](C[NH3+])C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 70821591 571760206 /nfs/dbraw/zinc/76/02/06/571760206.db2.gz OIBNTCZUDFFXGN-GHMZBOCLSA-N 3 2 199.342 0.465 10 0 ACAELP C[C@H](C[NH3+])C[NH+](C)C[C@@H]1CC[N@H+](C)C1 70821591 571760209 /nfs/dbraw/zinc/76/02/09/571760209.db2.gz OIBNTCZUDFFXGN-GHMZBOCLSA-N 3 2 199.342 0.465 10 0 ACAELP C[C@H](C[NH3+])C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 70821591 571760211 /nfs/dbraw/zinc/76/02/11/571760211.db2.gz OIBNTCZUDFFXGN-GHMZBOCLSA-N 3 2 199.342 0.465 10 0 ACAELP CC(=O)C[N@H+](C)C[C@H]1CC[NH+](C)C1 70822610 571760407 /nfs/dbraw/zinc/76/04/07/571760407.db2.gz ZLKPBHJWZMPHOU-JTQLQIEISA-N 2 2 184.283 0.459 10 0 ACAELP CC(=O)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 70822610 571760412 /nfs/dbraw/zinc/76/04/12/571760412.db2.gz ZLKPBHJWZMPHOU-JTQLQIEISA-N 2 2 184.283 0.459 10 0 ACAELP CC(=O)C[NH+](C)C[C@H]1CC[N@H+](C)C1 70822610 571760416 /nfs/dbraw/zinc/76/04/16/571760416.db2.gz ZLKPBHJWZMPHOU-JTQLQIEISA-N 2 2 184.283 0.459 10 0 ACAELP CC(=O)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 70822610 571760421 /nfs/dbraw/zinc/76/04/21/571760421.db2.gz ZLKPBHJWZMPHOU-JTQLQIEISA-N 2 2 184.283 0.459 10 0 ACAELP CC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1 70822558 571760590 /nfs/dbraw/zinc/76/05/90/571760590.db2.gz PHBWTGWPCNDXNE-MWLCHTKSSA-N 2 2 198.310 0.847 10 0 ACAELP CC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 70822558 571760592 /nfs/dbraw/zinc/76/05/92/571760592.db2.gz PHBWTGWPCNDXNE-MWLCHTKSSA-N 2 2 198.310 0.847 10 0 ACAELP CC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)C1 70822558 571760594 /nfs/dbraw/zinc/76/05/94/571760594.db2.gz PHBWTGWPCNDXNE-MWLCHTKSSA-N 2 2 198.310 0.847 10 0 ACAELP CC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 70822558 571760596 /nfs/dbraw/zinc/76/05/96/571760596.db2.gz PHBWTGWPCNDXNE-MWLCHTKSSA-N 2 2 198.310 0.847 10 0 ACAELP C[NH+](C)CC[C@@](C)([NH3+])C(F)F 17547221 571760874 /nfs/dbraw/zinc/76/08/74/571760874.db2.gz QJBOZLIVDHSBCM-SSDOTTSWSA-N 2 2 166.215 0.921 10 0 ACAELP CC(=O)CC[N@@H+](C)C[C@H]1CC[NH+](C)C1 70822551 571761081 /nfs/dbraw/zinc/76/10/81/571761081.db2.gz IKKLITHOKLYIHU-LLVKDONJSA-N 2 2 198.310 0.849 10 0 ACAELP CC(=O)CC[N@H+](C)C[C@H]1CC[NH+](C)C1 70822551 571761082 /nfs/dbraw/zinc/76/10/82/571761082.db2.gz IKKLITHOKLYIHU-LLVKDONJSA-N 2 2 198.310 0.849 10 0 ACAELP CC(=O)CC[NH+](C)C[C@H]1CC[N@H+](C)C1 70822551 571761084 /nfs/dbraw/zinc/76/10/84/571761084.db2.gz IKKLITHOKLYIHU-LLVKDONJSA-N 2 2 198.310 0.849 10 0 ACAELP CC(=O)CC[NH+](C)C[C@H]1CC[N@@H+](C)C1 70822551 571761086 /nfs/dbraw/zinc/76/10/86/571761086.db2.gz IKKLITHOKLYIHU-LLVKDONJSA-N 2 2 198.310 0.849 10 0 ACAELP CCC(=O)C[N@H+](C)C[C@H]1CC[NH+](C)C1 70822710 571761142 /nfs/dbraw/zinc/76/11/42/571761142.db2.gz AXCRIKXKJDRCDL-JTQLQIEISA-N 2 2 198.310 0.849 10 0 ACAELP CCC(=O)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 70822710 571761143 /nfs/dbraw/zinc/76/11/43/571761143.db2.gz AXCRIKXKJDRCDL-JTQLQIEISA-N 2 2 198.310 0.849 10 0 ACAELP CCC(=O)C[NH+](C)C[C@H]1CC[N@H+](C)C1 70822710 571761148 /nfs/dbraw/zinc/76/11/48/571761148.db2.gz AXCRIKXKJDRCDL-JTQLQIEISA-N 2 2 198.310 0.849 10 0 ACAELP CCC(=O)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 70822710 571761151 /nfs/dbraw/zinc/76/11/51/571761151.db2.gz AXCRIKXKJDRCDL-JTQLQIEISA-N 2 2 198.310 0.849 10 0 ACAELP C[NH+](C)CC[C@](C)([NH3+])C(F)F 17547223 571762185 /nfs/dbraw/zinc/76/21/85/571762185.db2.gz QJBOZLIVDHSBCM-ZETCQYMHSA-N 2 2 166.215 0.921 10 0 ACAELP Cc1nc(NCC[NH3+])c2c([nH+]1)CCC2 57328582 571762278 /nfs/dbraw/zinc/76/22/78/571762278.db2.gz BGCQEUMSLUIXQK-UHFFFAOYSA-N 2 2 192.266 0.644 10 0 ACAELP C[C@H]1C[C@H](c2c[nH]c[nH+]2)C[NH2+]1 26498702 571768053 /nfs/dbraw/zinc/76/80/53/571768053.db2.gz CEAXLMXSIPYCJN-BQBZGAKWSA-N 2 2 151.213 0.875 10 0 ACAELP C[NH2+][C@H](Cc1[nH+]ccn1C)C1CC1 71004080 571765354 /nfs/dbraw/zinc/76/53/54/571765354.db2.gz CTYWOUWOPLNJEO-SECBINFHSA-N 2 2 179.267 0.961 10 0 ACAELP C[NH2+][C@@H](Cc1[nH+]ccn1C)C1CC1 71004079 571766560 /nfs/dbraw/zinc/76/65/60/571766560.db2.gz CTYWOUWOPLNJEO-VIFPVBQESA-N 2 2 179.267 0.961 10 0 ACAELP C[C@H](O)C[NH+]1CC(n2cc[nH+]c2)C1 687799205 571767141 /nfs/dbraw/zinc/76/71/41/571767141.db2.gz KNSCEKRAIYIJSS-QMMMGPOBSA-N 2 2 181.239 0.121 10 0 ACAELP C[C@@H](O)C[NH+]1CC(n2cc[nH+]c2)C1 687799204 571767303 /nfs/dbraw/zinc/76/73/03/571767303.db2.gz KNSCEKRAIYIJSS-MRVPVSSYSA-N 2 2 181.239 0.121 10 0 ACAELP C[NH+](C)C[C@@H](O)C[N@@H+]1CCC1(C)C 687799394 571767880 /nfs/dbraw/zinc/76/78/80/571767880.db2.gz KAHINTANJBXGNL-SECBINFHSA-N 2 2 186.299 0.393 10 0 ACAELP C[NH+](C)C[C@@H](O)C[N@H+]1CCC1(C)C 687799394 571767882 /nfs/dbraw/zinc/76/78/82/571767882.db2.gz KAHINTANJBXGNL-SECBINFHSA-N 2 2 186.299 0.393 10 0 ACAELP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]12 219280968 571771179 /nfs/dbraw/zinc/77/11/79/571771179.db2.gz VNGRAEWTTFCTAV-AXFHLTTASA-N 2 2 198.310 0.584 10 0 ACAELP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]12 219280968 571771181 /nfs/dbraw/zinc/77/11/81/571771181.db2.gz VNGRAEWTTFCTAV-AXFHLTTASA-N 2 2 198.310 0.584 10 0 ACAELP C[NH+](C)C[C@H](O)C[N@@H+]1CCC1(C)C 687799395 571767984 /nfs/dbraw/zinc/76/79/84/571767984.db2.gz KAHINTANJBXGNL-VIFPVBQESA-N 2 2 186.299 0.393 10 0 ACAELP C[NH+](C)C[C@H](O)C[N@H+]1CCC1(C)C 687799395 571767985 /nfs/dbraw/zinc/76/79/85/571767985.db2.gz KAHINTANJBXGNL-VIFPVBQESA-N 2 2 186.299 0.393 10 0 ACAELP CC[N@@H+](CC(=O)OC)C[C@H](C)C[NH3+] 71048678 571768430 /nfs/dbraw/zinc/76/84/30/571768430.db2.gz UWKPHGLVSCZCTA-MRVPVSSYSA-N 2 2 188.271 0.076 10 0 ACAELP CC[N@H+](CC(=O)OC)C[C@H](C)C[NH3+] 71048678 571768433 /nfs/dbraw/zinc/76/84/33/571768433.db2.gz UWKPHGLVSCZCTA-MRVPVSSYSA-N 2 2 188.271 0.076 10 0 ACAELP C[C@H]1[NH2+]C[C@@H]1c1c[nH]c[nH+]1 26499575 571768918 /nfs/dbraw/zinc/76/89/18/571768918.db2.gz KERCIXYHQBGDCI-RITPCOANSA-N 2 2 137.186 0.485 10 0 ACAELP CC[N@H+](CC(=O)OC)[C@@H](C)CC[NH3+] 71048704 571768946 /nfs/dbraw/zinc/76/89/46/571768946.db2.gz VBNWHTCXFHCSFO-QMMMGPOBSA-N 2 2 188.271 0.219 10 0 ACAELP CC[N@@H+](CC(=O)OC)[C@@H](C)CC[NH3+] 71048704 571768951 /nfs/dbraw/zinc/76/89/51/571768951.db2.gz VBNWHTCXFHCSFO-QMMMGPOBSA-N 2 2 188.271 0.219 10 0 ACAELP CC[C@H](CC[NH3+])[N@H+](C)CC(=O)OC 71048135 571768992 /nfs/dbraw/zinc/76/89/92/571768992.db2.gz GODPGXDLRRGCCI-MRVPVSSYSA-N 2 2 188.271 0.219 10 0 ACAELP CC[C@H](CC[NH3+])[N@@H+](C)CC(=O)OC 71048135 571768995 /nfs/dbraw/zinc/76/89/95/571768995.db2.gz GODPGXDLRRGCCI-MRVPVSSYSA-N 2 2 188.271 0.219 10 0 ACAELP CCOC(=O)C[N@H+](C)C[C@@H](C)C[NH3+] 71048732 571769293 /nfs/dbraw/zinc/76/92/93/571769293.db2.gz GEOOQAMBWKPACI-QMMMGPOBSA-N 2 2 188.271 0.076 10 0 ACAELP CCOC(=O)C[N@@H+](C)C[C@@H](C)C[NH3+] 71048732 571769298 /nfs/dbraw/zinc/76/92/98/571769298.db2.gz GEOOQAMBWKPACI-QMMMGPOBSA-N 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71048706 571769703 /nfs/dbraw/zinc/76/97/03/571769703.db2.gz VBNWHTCXFHCSFO-MRVPVSSYSA-N 2 2 188.271 0.219 10 0 ACAELP CC[N@@H+](CC(=O)OC)[C@H](C)CC[NH3+] 71048706 571769706 /nfs/dbraw/zinc/76/97/06/571769706.db2.gz VBNWHTCXFHCSFO-MRVPVSSYSA-N 2 2 188.271 0.219 10 0 ACAELP CCC[NH2+]C[NH2+]C 142187257 571771130 /nfs/dbraw/zinc/77/11/30/571771130.db2.gz PODKWTKVFGAQQK-UHFFFAOYSA-N 2 2 102.181 0.163 10 0 ACAELP CCC[N@H+](C)[C@]1(C[NH3+])CCOC1 70970108 571771163 /nfs/dbraw/zinc/77/11/63/571771163.db2.gz BNJVNFYSYFDIHK-VIFPVBQESA-N 2 2 172.272 0.446 10 0 ACAELP CCC[N@@H+](C)[C@]1(C[NH3+])CCOC1 70970108 571771165 /nfs/dbraw/zinc/77/11/65/571771165.db2.gz BNJVNFYSYFDIHK-VIFPVBQESA-N 2 2 172.272 0.446 10 0 ACAELP CCCC[N@H+](C)[C@]1(C[NH3+])CCOC1 70970006 571771511 /nfs/dbraw/zinc/77/15/11/571771511.db2.gz PXSGFFICWBNTRS-JTQLQIEISA-N 2 2 186.299 0.836 10 0 ACAELP CCCC[N@@H+](C)[C@]1(C[NH3+])CCOC1 70970006 571771513 /nfs/dbraw/zinc/77/15/13/571771513.db2.gz PXSGFFICWBNTRS-JTQLQIEISA-N 2 2 186.299 0.836 10 0 ACAELP CC[NH+](CC)[C@@]1(C[NH3+])CCOC1 70969837 571771528 /nfs/dbraw/zinc/77/15/28/571771528.db2.gz WFQADIIMGSBVNV-SECBINFHSA-N 2 2 172.272 0.446 10 0 ACAELP CCCC[N@H+](C)[C@@]1(C[NH3+])CCOC1 70970008 571771688 /nfs/dbraw/zinc/77/16/88/571771688.db2.gz PXSGFFICWBNTRS-SNVBAGLBSA-N 2 2 186.299 0.836 10 0 ACAELP CCCC[N@@H+](C)[C@@]1(C[NH3+])CCOC1 70970008 571771692 /nfs/dbraw/zinc/77/16/92/571771692.db2.gz PXSGFFICWBNTRS-SNVBAGLBSA-N 2 2 186.299 0.836 10 0 ACAELP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]12 219280931 571772099 /nfs/dbraw/zinc/77/20/99/571772099.db2.gz VNGRAEWTTFCTAV-MXWKQRLJSA-N 2 2 198.310 0.584 10 0 ACAELP CC[C@@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]12 219280931 571772105 /nfs/dbraw/zinc/77/21/05/571772105.db2.gz VNGRAEWTTFCTAV-MXWKQRLJSA-N 2 2 198.310 0.584 10 0 ACAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCOC1 70968414 571772126 /nfs/dbraw/zinc/77/21/26/571772126.db2.gz DGUKRIUXMKPMRS-GHMZBOCLSA-N 2 2 198.310 0.849 10 0 ACAELP 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250533917 571798096 /nfs/dbraw/zinc/79/80/96/571798096.db2.gz YHDIZQHDCBVHRW-BDAKNGLRSA-N 2 2 199.298 0.062 10 0 ACAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H](C)O 221141345 571798129 /nfs/dbraw/zinc/79/81/29/571798129.db2.gz DOZJYDKTLZWPKQ-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H](C)O 221141345 571798136 /nfs/dbraw/zinc/79/81/36/571798136.db2.gz DOZJYDKTLZWPKQ-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP C[C@@H](C[NH3+])C[N@H+](C)C[C@H]1CC[NH+](C)C1 251107285 571798651 /nfs/dbraw/zinc/79/86/51/571798651.db2.gz OIBNTCZUDFFXGN-QWRGUYRKSA-N 3 2 199.342 0.465 10 0 ACAELP C[C@@H](C[NH3+])C[N@@H+](C)C[C@H]1CC[NH+](C)C1 251107285 571798653 /nfs/dbraw/zinc/79/86/53/571798653.db2.gz OIBNTCZUDFFXGN-QWRGUYRKSA-N 3 2 199.342 0.465 10 0 ACAELP C[C@@H](C[NH3+])C[NH+](C)C[C@H]1CC[N@H+](C)C1 251107285 571798655 /nfs/dbraw/zinc/79/86/55/571798655.db2.gz OIBNTCZUDFFXGN-QWRGUYRKSA-N 3 2 199.342 0.465 10 0 ACAELP C[C@@H](C[NH3+])C[NH+](C)C[C@H]1CC[N@@H+](C)C1 251107285 571798656 /nfs/dbraw/zinc/79/86/56/571798656.db2.gz OIBNTCZUDFFXGN-QWRGUYRKSA-N 3 2 199.342 0.465 10 0 ACAELP CC[NH2+][C@H]1CC[N@H+](C[C@H]2CCCO2)C1 250603186 571799171 /nfs/dbraw/zinc/79/91/71/571799171.db2.gz FROMUGQMXHGFLW-WDEREUQCSA-N 2 2 198.310 0.849 10 0 ACAELP CC[NH2+][C@H]1CC[N@@H+](C[C@H]2CCCO2)C1 250603186 571799173 /nfs/dbraw/zinc/79/91/73/571799173.db2.gz FROMUGQMXHGFLW-WDEREUQCSA-N 2 2 198.310 0.849 10 0 ACAELP CCO[C@H]1CCC[N@@H+]([C@H](C)C[NH3+])C1 250563583 571799184 /nfs/dbraw/zinc/79/91/84/571799184.db2.gz UMNGFUKOGPQQCL-ZJUUUORDSA-N 2 2 186.299 0.835 10 0 ACAELP CCO[C@H]1CCC[N@H+]([C@H](C)C[NH3+])C1 250563583 571799187 /nfs/dbraw/zinc/79/91/87/571799187.db2.gz UMNGFUKOGPQQCL-ZJUUUORDSA-N 2 2 186.299 0.835 10 0 ACAELP CC[C@@H](C[NH3+])[N@@H+]1CCCC[C@H]1C(N)=O 251093145 571799327 /nfs/dbraw/zinc/79/93/27/571799327.db2.gz PGCIBCLFVGZMRI-IUCAKERBSA-N 2 2 199.298 0.064 10 0 ACAELP CC[C@@H](C[NH3+])[N@H+]1CCCC[C@H]1C(N)=O 251093145 571799331 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571800516 /nfs/dbraw/zinc/80/05/16/571800516.db2.gz PGCIBCLFVGZMRI-BDAKNGLRSA-N 2 2 199.298 0.064 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[N@H+](C)C[C@H]1CCCO1 251087200 571800535 /nfs/dbraw/zinc/80/05/35/571800535.db2.gz YBNOQYAZNRBGBY-IVZWLZJFSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[N@@H+](C)C[C@H]1CCCO1 251087200 571800539 /nfs/dbraw/zinc/80/05/39/571800539.db2.gz YBNOQYAZNRBGBY-IVZWLZJFSA-N 2 2 186.299 0.833 10 0 ACAELP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H]1CCCO1 250739445 571800714 /nfs/dbraw/zinc/80/07/14/571800714.db2.gz MKQMQHIVULYTEY-GHMZBOCLSA-N 2 2 198.310 0.849 10 0 ACAELP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1CCCO1 250739445 571800716 /nfs/dbraw/zinc/80/07/16/571800716.db2.gz MKQMQHIVULYTEY-GHMZBOCLSA-N 2 2 198.310 0.849 10 0 ACAELP CC(C)C[NH2+][C@@H](C[NH3+])c1cncnc1 394100703 571800979 /nfs/dbraw/zinc/80/09/79/571800979.db2.gz BANDUWBHBDDPDU-JTQLQIEISA-N 2 2 194.282 0.722 10 0 ACAELP CCO[C@@H]1CCC[N@@H+]([C@H](C)C[NH3+])C1 250563580 571800982 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/nfs/dbraw/zinc/93/00/40/571930040.db2.gz RGQOLIINDHUSFN-DTWKUNHWSA-N 2 2 190.262 0.394 10 0 ACAELP CO[C@H](C[NH3+])C[N@H+]1CCC[C@H](F)C1 689424655 571930043 /nfs/dbraw/zinc/93/00/43/571930043.db2.gz RGQOLIINDHUSFN-DTWKUNHWSA-N 2 2 190.262 0.394 10 0 ACAELP CO[C@@H](C[NH3+])C[N@@H+]1CCC[C@H](F)C1 689424661 571930317 /nfs/dbraw/zinc/93/03/17/571930317.db2.gz RGQOLIINDHUSFN-IUCAKERBSA-N 2 2 190.262 0.394 10 0 ACAELP CO[C@@H](C[NH3+])C[N@H+]1CCC[C@H](F)C1 689424661 571930321 /nfs/dbraw/zinc/93/03/21/571930321.db2.gz RGQOLIINDHUSFN-IUCAKERBSA-N 2 2 190.262 0.394 10 0 ACAELP COC1(C[NH2+][C@H]2CCC[NH2+]C2)CCC1 234752287 571933488 /nfs/dbraw/zinc/93/34/88/571933488.db2.gz SCUAXZHAEVOJMP-JTQLQIEISA-N 2 2 198.310 0.897 10 0 ACAELP C[N@@H+]1CCC[C@@H](C[NH+]2CC(C)(O)C2)C1 687809125 571933697 /nfs/dbraw/zinc/93/36/97/571933697.db2.gz AHPXYMDRQCPJIZ-SNVBAGLBSA-N 2 2 198.310 0.395 10 0 ACAELP C[N@H+]1CCC[C@@H](C[NH+]2CC(C)(O)C2)C1 687809125 571933699 /nfs/dbraw/zinc/93/36/99/571933699.db2.gz 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687683596 571936109 /nfs/dbraw/zinc/93/61/09/571936109.db2.gz DDOQYLXFFGLZHK-SNVBAGLBSA-N 2 2 198.310 0.707 10 0 ACAELP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1COC1 687683596 571936112 /nfs/dbraw/zinc/93/61/12/571936112.db2.gz DDOQYLXFFGLZHK-SNVBAGLBSA-N 2 2 198.310 0.707 10 0 ACAELP CC(C)[C@@H]([NH3+])CC[N@H+](C)C1COC1 687683947 571936415 /nfs/dbraw/zinc/93/64/15/571936415.db2.gz FUPABPAGIXBKIN-JTQLQIEISA-N 2 2 186.299 0.690 10 0 ACAELP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C1COC1 687683947 571936420 /nfs/dbraw/zinc/93/64/20/571936420.db2.gz FUPABPAGIXBKIN-JTQLQIEISA-N 2 2 186.299 0.690 10 0 ACAELP C[NH2+][C@@H](C[NH+]1CCC1)[C@H]1CCCOC1 687683465 571936437 /nfs/dbraw/zinc/93/64/37/571936437.db2.gz QGNLJPVRNNGWQE-QWRGUYRKSA-N 2 2 198.310 0.707 10 0 ACAELP C[NH2+][C@H](C[NH+]1CCC1)[C@@H]1CCCOC1 687683463 571936683 /nfs/dbraw/zinc/93/66/83/571936683.db2.gz QGNLJPVRNNGWQE-GHMZBOCLSA-N 2 2 198.310 0.707 10 0 ACAELP CC(C)CC[N@H+](C)[C@@H](CO)[C@H](C)[NH3+] 250591169 571937094 /nfs/dbraw/zinc/93/70/94/571937094.db2.gz KTWVHDDBJARUEL-UWVGGRQHSA-N 2 2 188.315 0.672 10 0 ACAELP C[NH2+][C@H](C[NH+]1CCC1)[C@H]1CCCOC1 687683466 571937105 /nfs/dbraw/zinc/93/71/05/571937105.db2.gz QGNLJPVRNNGWQE-WDEREUQCSA-N 2 2 198.310 0.707 10 0 ACAELP C[N@H+](CCC[NH3+])Cc1cnoc1 687683978 571937179 /nfs/dbraw/zinc/93/71/79/571937179.db2.gz WINJNWMVTCEWLY-UHFFFAOYSA-N 2 2 169.228 0.455 10 0 ACAELP C[N@@H+](CCC[NH3+])Cc1cnoc1 687683978 571937184 /nfs/dbraw/zinc/93/71/84/571937184.db2.gz WINJNWMVTCEWLY-UHFFFAOYSA-N 2 2 169.228 0.455 10 0 ACAELP C[C@H]([NH2+]CC[NH3+])c1cc(O)cc(O)c1 235504566 571937402 /nfs/dbraw/zinc/93/74/02/571937402.db2.gz LZJDOFGESMCENE-ZETCQYMHSA-N 2 2 196.250 0.707 10 0 ACAELP NC(=[NH2+])C[N@@H+]1CCC12CCCC2 687899017 571937655 /nfs/dbraw/zinc/93/76/55/571937655.db2.gz MWCDFTOJWSZNQQ-UHFFFAOYSA-N 2 2 167.256 0.941 10 0 ACAELP NC(=[NH2+])C[N@H+]1CCC12CCCC2 687899017 571937657 /nfs/dbraw/zinc/93/76/57/571937657.db2.gz MWCDFTOJWSZNQQ-UHFFFAOYSA-N 2 2 167.256 0.941 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CCOCC[C@H](C[NH+](C)C)[NH2+]C 687704631 572049663 /nfs/dbraw/zinc/04/96/63/572049663.db2.gz PRGFTNRWLIMZIX-SECBINFHSA-N 2 2 174.288 0.563 10 0 ACAELP CC1=[NH+]CC[NH2+]CC1 34060319 572049752 /nfs/dbraw/zinc/04/97/52/572049752.db2.gz PFUBDNGDIKQWBV-UHFFFAOYSA-N 2 2 112.176 0.441 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CC[C@]2(CCOC2)C1 687887828 572049951 /nfs/dbraw/zinc/04/99/51/572049951.db2.gz KXLIUPJWIIDNIJ-WPRPVWTQSA-N 2 2 197.282 0.423 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@H+]1CC[C@]2(CCOC2)C1 687887828 572049953 /nfs/dbraw/zinc/04/99/53/572049953.db2.gz KXLIUPJWIIDNIJ-WPRPVWTQSA-N 2 2 197.282 0.423 10 0 ACAELP CC[NH2+][C@H](CCOCC)C[NH+](C)C 687704530 572050207 /nfs/dbraw/zinc/05/02/07/572050207.db2.gz NMAFGPUKDFNAKK-SNVBAGLBSA-N 2 2 188.315 0.953 10 0 ACAELP CCOCC[C@@H]([NH3+])c1c[nH+]cn1C 687704161 572050294 /nfs/dbraw/zinc/05/02/94/572050294.db2.gz BJZMUXKCWNTJIV-MRVPVSSYSA-N 2 2 183.255 0.847 10 0 ACAELP CCOCC[C@@H](C[NH+](C)C)[NH2+]C 687704633 572050689 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DSUPNYSTDPFKRG-SNVBAGLBSA-N 3 2 187.331 0.607 10 0 ACAELP C[NH2+][C@@H](CCOC(C)C)C[NH+](C)C 687705167 572051925 /nfs/dbraw/zinc/05/19/25/572051925.db2.gz GPMYLBGKJSTIQS-JTQLQIEISA-N 2 2 188.315 0.951 10 0 ACAELP Cn1c[nH+]cc1[C@@H]([NH3+])C[C@@H]1CCCO1 687705029 572051936 /nfs/dbraw/zinc/05/19/36/572051936.db2.gz RHYQCWMRDUMANV-IUCAKERBSA-N 2 2 195.266 0.989 10 0 ACAELP COC[C@@H](C)[C@@H]([NH3+])c1c[nH+]cn1C 687705300 572052027 /nfs/dbraw/zinc/05/20/27/572052027.db2.gz YPARADYBVCUPES-VXNVDRBHSA-N 2 2 183.255 0.702 10 0 ACAELP Cn1c[nH+]cc1[C@@H]([NH3+])C[C@H]1CCCO1 687705027 572052060 /nfs/dbraw/zinc/05/20/60/572052060.db2.gz RHYQCWMRDUMANV-BDAKNGLRSA-N 2 2 195.266 0.989 10 0 ACAELP Cn1c[nH+]cc1[C@H]([NH3+])C[C@@H]1CCCO1 687705028 572052324 /nfs/dbraw/zinc/05/23/24/572052324.db2.gz RHYQCWMRDUMANV-DTWKUNHWSA-N 2 2 195.266 0.989 10 0 ACAELP Cn1c[nH+]cc1[C@H]([NH3+])C[C@H]1CCCO1 687705030 572052463 /nfs/dbraw/zinc/05/24/63/572052463.db2.gz RHYQCWMRDUMANV-RKDXNWHRSA-N 2 2 195.266 0.989 10 0 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186.299 0.849 10 0 ACAELP Cc1nc(NCCOCC[NH3+])cc[nH+]1 82592170 572057262 /nfs/dbraw/zinc/05/72/62/572057262.db2.gz LKRHBNUJKYASCF-UHFFFAOYSA-N 2 2 196.254 0.172 10 0 ACAELP [NH3+]C[C@@H]([NH3+])Cc1ccc(O)cc1 34154337 572059555 /nfs/dbraw/zinc/05/95/55/572059555.db2.gz CYPFTWZZQODKJX-QMMMGPOBSA-N 2 2 166.224 0.221 10 0 ACAELP CCN1CC[C@@H]([NH3+])[C@@H]([NH+]2CCCC2)C1 250221600 572059711 /nfs/dbraw/zinc/05/97/11/572059711.db2.gz DWXDBZBLFRHFGN-MNOVXSKESA-N 2 2 197.326 0.504 10 0 ACAELP CC[C@@H](C[NH3+])[N@@H+]1CCOC[C@@H]1CC 36325705 572059854 /nfs/dbraw/zinc/05/98/54/572059854.db2.gz YQYLFAVRDDMDBD-UWVGGRQHSA-N 2 2 186.299 0.835 10 0 ACAELP CC[C@@H](C[NH3+])[N@H+]1CCOC[C@@H]1CC 36325705 572059857 /nfs/dbraw/zinc/05/98/57/572059857.db2.gz YQYLFAVRDDMDBD-UWVGGRQHSA-N 2 2 186.299 0.835 10 0 ACAELP C[C@@H](C[NH3+])[NH2+][C@H](C)Cn1cc[nH+]c1 235094424 572060599 /nfs/dbraw/zinc/06/05/99/572060599.db2.gz NRYBYNOKGONBBF-DTWKUNHWSA-N 3 2 182.271 0.208 10 0 ACAELP [NH3+]C[C@H]([NH3+])Cc1ccc(O)cc1 34154339 572060795 /nfs/dbraw/zinc/06/07/95/572060795.db2.gz CYPFTWZZQODKJX-MRVPVSSYSA-N 2 2 166.224 0.221 10 0 ACAELP Cc1c([C@@H](C)[NH2+][C@@H](C)C[NH3+])cnn1C 235097117 572062022 /nfs/dbraw/zinc/06/20/22/572062022.db2.gz IVNYHVTXFSXTTG-JGVFFNPUSA-N 2 2 196.298 0.726 10 0 ACAELP CCC[N@H+](CC[NH3+])CCOC1CC1 711660165 572062294 /nfs/dbraw/zinc/06/22/94/572062294.db2.gz UPPHIHKDDMQLIN-UHFFFAOYSA-N 2 2 186.299 0.836 10 0 ACAELP CCC[N@@H+](CC[NH3+])CCOC1CC1 711660165 572062297 /nfs/dbraw/zinc/06/22/97/572062297.db2.gz UPPHIHKDDMQLIN-UHFFFAOYSA-N 2 2 186.299 0.836 10 0 ACAELP C[C@@H](C[NH3+])[NH2+][C@H](CO)c1ccccc1 235098283 572062384 /nfs/dbraw/zinc/06/23/84/572062384.db2.gz IZMMBLZOYSPFTH-GXSJLCMTSA-N 2 2 194.278 0.657 10 0 ACAELP CC[NH2+]CC[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82598214 572064110 /nfs/dbraw/zinc/06/41/10/572064110.db2.gz MSULCAYPADFJOQ-ZACCUICWSA-N 2 2 198.310 0.584 10 0 ACAELP CC[NH2+]CC[N@@H+]1[C@H]2CC[C@@H]1CC(O)C2 82598214 572064108 /nfs/dbraw/zinc/06/41/08/572064108.db2.gz 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FEIVZNKMKRIEHB-QWRGUYRKSA-N 2 2 199.342 0.478 10 0 ACAELP CC[N@H+]1C[C@@H](C)C[NH2+]C[C@H]1CN(C)C 250224004 572120459 /nfs/dbraw/zinc/12/04/59/572120459.db2.gz FEIVZNKMKRIEHB-QWRGUYRKSA-N 2 2 199.342 0.478 10 0 ACAELP CCN1C[C@@H](C)C[NH2+]C[C@H]1C[NH+](C)C 250224004 572120464 /nfs/dbraw/zinc/12/04/64/572120464.db2.gz FEIVZNKMKRIEHB-QWRGUYRKSA-N 2 2 199.342 0.478 10 0 ACAELP [NH3+]CCc1[nH+]ccn1C1CC1 17998130 572121502 /nfs/dbraw/zinc/12/15/02/572121502.db2.gz FLLRRXKODMUZEX-UHFFFAOYSA-N 2 2 151.213 0.719 10 0 ACAELP CC[NH2+][C@@]1(CCO)CC[N@H+](CC)C1 393340711 572122268 /nfs/dbraw/zinc/12/22/68/572122268.db2.gz XFVTVJOZYZJHMF-SNVBAGLBSA-N 2 2 186.299 0.443 10 0 ACAELP CC[NH2+][C@@]1(CCO)CC[N@@H+](CC)C1 393340711 572122270 /nfs/dbraw/zinc/12/22/70/572122270.db2.gz XFVTVJOZYZJHMF-SNVBAGLBSA-N 2 2 186.299 0.443 10 0 ACAELP [NH3+]CC[NH2+]Cc1cnn2ccccc12 69606332 572122335 /nfs/dbraw/zinc/12/23/35/572122335.db2.gz DDRIZDODTPNQQS-UHFFFAOYSA-N 2 2 190.250 0.383 10 0 ACAELP [NH3+]CC[N@H+](C1CC1)[C@H]1CCOC1 69622460 572122749 /nfs/dbraw/zinc/12/27/49/572122749.db2.gz ZEIYRSJZPFEMMS-VIFPVBQESA-N 2 2 170.256 0.198 10 0 ACAELP [NH3+]CC[N@@H+](C1CC1)[C@H]1CCOC1 69622460 572122751 /nfs/dbraw/zinc/12/27/51/572122751.db2.gz ZEIYRSJZPFEMMS-VIFPVBQESA-N 2 2 170.256 0.198 10 0 ACAELP CCC[N@H+](CC[NH3+])[C@@H]1CCOC1 69622450 572122894 /nfs/dbraw/zinc/12/28/94/572122894.db2.gz HEXXCQSIXPQGHU-SECBINFHSA-N 2 2 172.272 0.446 10 0 ACAELP CCC[N@@H+](CC[NH3+])[C@@H]1CCOC1 69622450 572122897 /nfs/dbraw/zinc/12/28/97/572122897.db2.gz HEXXCQSIXPQGHU-SECBINFHSA-N 2 2 172.272 0.446 10 0 ACAELP Cn1c(CC[NH3+])[nH+]c2ccc(N)cc21 214607722 572123088 /nfs/dbraw/zinc/12/30/88/572123088.db2.gz BZZUGKURJDDPRK-UHFFFAOYSA-N 2 2 190.250 0.657 10 0 ACAELP C[NH2+]Cc1cnc(C[NH+]2CCC2)[nH]1 393340892 572123502 /nfs/dbraw/zinc/12/35/02/572123502.db2.gz XMXFJYCJBUTCKI-UHFFFAOYSA-N 2 2 180.255 0.335 10 0 ACAELP CC[NH2+][C@]1(CCO)CC[N@@H+](CC)C1 393340710 572123787 /nfs/dbraw/zinc/12/37/87/572123787.db2.gz XFVTVJOZYZJHMF-JTQLQIEISA-N 2 2 186.299 0.443 10 0 ACAELP CC[NH2+][C@]1(CCO)CC[N@H+](CC)C1 393340710 572123784 /nfs/dbraw/zinc/12/37/84/572123784.db2.gz XFVTVJOZYZJHMF-JTQLQIEISA-N 2 2 186.299 0.443 10 0 ACAELP CCC[N@H+](CC[NH3+])[C@H]1CCOC1 69622453 572123806 /nfs/dbraw/zinc/12/38/06/572123806.db2.gz HEXXCQSIXPQGHU-VIFPVBQESA-N 2 2 172.272 0.446 10 0 ACAELP CCC[N@@H+](CC[NH3+])[C@H]1CCOC1 69622453 572123808 /nfs/dbraw/zinc/12/38/08/572123808.db2.gz HEXXCQSIXPQGHU-VIFPVBQESA-N 2 2 172.272 0.446 10 0 ACAELP [NH3+]CC[N@H+](C1CC1)[C@@H]1CCOC1 69622457 572123893 /nfs/dbraw/zinc/12/38/93/572123893.db2.gz ZEIYRSJZPFEMMS-SECBINFHSA-N 2 2 170.256 0.198 10 0 ACAELP [NH3+]CC[N@@H+](C1CC1)[C@@H]1CCOC1 69622457 572123897 /nfs/dbraw/zinc/12/38/97/572123897.db2.gz ZEIYRSJZPFEMMS-SECBINFHSA-N 2 2 170.256 0.198 10 0 ACAELP C[C@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]c[nH]1 235635653 572125890 /nfs/dbraw/zinc/12/58/90/572125890.db2.gz VYWHTFIYTYEWID-RKDXNWHRSA-N 2 2 195.266 0.924 10 0 ACAELP Cn1c(CC[NH3+])[nH+]c2c(N)cccc21 214607785 572124200 /nfs/dbraw/zinc/12/42/00/572124200.db2.gz XIGLONPHOBTPMD-UHFFFAOYSA-N 2 2 190.250 0.657 10 0 ACAELP CC(C)[N@H+](CC[NH3+])[C@H]1CCOC1 69622447 572124237 /nfs/dbraw/zinc/12/42/37/572124237.db2.gz AKIPGGSQAAUYFM-VIFPVBQESA-N 2 2 172.272 0.444 10 0 ACAELP CC(C)[N@@H+](CC[NH3+])[C@H]1CCOC1 69622447 572124240 /nfs/dbraw/zinc/12/42/40/572124240.db2.gz AKIPGGSQAAUYFM-VIFPVBQESA-N 2 2 172.272 0.444 10 0 ACAELP CC(C)[N@H+](CC[NH3+])[C@@H]1CCOC1 69622444 572124458 /nfs/dbraw/zinc/12/44/58/572124458.db2.gz AKIPGGSQAAUYFM-SECBINFHSA-N 2 2 172.272 0.444 10 0 ACAELP CC(C)[N@@H+](CC[NH3+])[C@@H]1CCOC1 69622444 572124461 /nfs/dbraw/zinc/12/44/61/572124461.db2.gz AKIPGGSQAAUYFM-SECBINFHSA-N 2 2 172.272 0.444 10 0 ACAELP COCC1CC[NH+]([C@@H](C)C(N)=[NH2+])CC1 69631794 572124909 /nfs/dbraw/zinc/12/49/09/572124909.db2.gz CROXITAUTBBOFR-QMMMGPOBSA-N 2 2 199.298 0.669 10 0 ACAELP C[C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1[NH3+] 69719836 572126117 /nfs/dbraw/zinc/12/61/17/572126117.db2.gz CUNWGEVBAAXEMF-DCAQKATOSA-N 2 2 198.310 0.835 10 0 ACAELP C[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1[NH3+] 69719836 572126121 /nfs/dbraw/zinc/12/61/21/572126121.db2.gz CUNWGEVBAAXEMF-DCAQKATOSA-N 2 2 198.310 0.835 10 0 ACAELP C[NH2+]CC[NH+]1CCC(COC)CC1 69631657 572126437 /nfs/dbraw/zinc/12/64/37/572126437.db2.gz CFDQWHMXGZXEIK-UHFFFAOYSA-N 2 2 186.299 0.564 10 0 ACAELP C[C@H]1CC[N@@H+]([C@@H]2CCOC2)C[C@@H]1[NH3+] 69718179 572126912 /nfs/dbraw/zinc/12/69/12/572126912.db2.gz YPTGSNKEYPBJPT-AEJSXWLSSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H]1CC[N@H+]([C@@H]2CCOC2)C[C@@H]1[NH3+] 69718179 572126913 /nfs/dbraw/zinc/12/69/13/572126913.db2.gz YPTGSNKEYPBJPT-AEJSXWLSSA-N 2 2 184.283 0.444 10 0 ACAELP COCC1CC[NH+]([C@H](C)C(N)=[NH2+])CC1 69631796 572127080 /nfs/dbraw/zinc/12/70/80/572127080.db2.gz CROXITAUTBBOFR-MRVPVSSYSA-N 2 2 199.298 0.669 10 0 ACAELP [NH3+][C@H](c1cc[nH]c1)[C@H]1CCC[NH2+]1 71495903 572127496 /nfs/dbraw/zinc/12/74/96/572127496.db2.gz SOUOSAOSDGVOHK-RKDXNWHRSA-N 2 2 165.240 0.767 10 0 ACAELP C[C@H]([NH3+])[C@@H](c1cc[nH]c1)[NH+](C)C 71496214 572127572 /nfs/dbraw/zinc/12/75/72/572127572.db2.gz WVJHOIAPKUUUAG-CBAPKCEASA-N 2 2 167.256 0.965 10 0 ACAELP C[C@@H]([NH3+])[C@@H](c1cc[nH]c1)[NH+](C)C 71496216 572127581 /nfs/dbraw/zinc/12/75/81/572127581.db2.gz WVJHOIAPKUUUAG-APPZFPTMSA-N 2 2 167.256 0.965 10 0 ACAELP C[NH+](C)C[C@@H](O)CNc1cccc[nH+]1 38672517 572127728 /nfs/dbraw/zinc/12/77/28/572127728.db2.gz XPRJHPMNQMRXKY-VIFPVBQESA-N 2 2 195.266 0.416 10 0 ACAELP COc1cccc(C[NH2+]CC[NH3+])n1 69637634 572127947 /nfs/dbraw/zinc/12/79/47/572127947.db2.gz XYHCMUHSNAADDI-UHFFFAOYSA-N 2 2 181.239 0.139 10 0 ACAELP [NH3+][C@@H](c1cc[nH]c1)[C@H]1CCC[NH2+]1 71495901 572128294 /nfs/dbraw/zinc/12/82/94/572128294.db2.gz SOUOSAOSDGVOHK-BDAKNGLRSA-N 2 2 165.240 0.767 10 0 ACAELP C[NH+](C)C[C@H](O)CNc1cccc[nH+]1 38672515 572128582 /nfs/dbraw/zinc/12/85/82/572128582.db2.gz XPRJHPMNQMRXKY-SECBINFHSA-N 2 2 195.266 0.416 10 0 ACAELP C[C@@H]([NH3+])[C@H](c1cc[nH]c1)[NH+](C)C 71496220 572128407 /nfs/dbraw/zinc/12/84/07/572128407.db2.gz WVJHOIAPKUUUAG-VXNVDRBHSA-N 2 2 167.256 0.965 10 0 ACAELP [NH3+][C@@H](c1cc[nH]c1)[C@@H]1CCC[NH2+]1 71495897 572128585 /nfs/dbraw/zinc/12/85/85/572128585.db2.gz SOUOSAOSDGVOHK-IUCAKERBSA-N 2 2 165.240 0.767 10 0 ACAELP CC[NH2+][C@H](C[NH3+])c1ccncn1 69638329 572128755 /nfs/dbraw/zinc/12/87/55/572128755.db2.gz BPRRSYWRLQKGFQ-MRVPVSSYSA-N 2 2 166.228 0.086 10 0 ACAELP CC[NH2+][C@@H](C[NH3+])c1ccncn1 69638328 572128802 /nfs/dbraw/zinc/12/88/02/572128802.db2.gz BPRRSYWRLQKGFQ-QMMMGPOBSA-N 2 2 166.228 0.086 10 0 ACAELP [NH3+][C@H](c1cc[nH]c1)[C@@H]1CCC[NH2+]1 71495899 572128820 /nfs/dbraw/zinc/12/88/20/572128820.db2.gz SOUOSAOSDGVOHK-DTWKUNHWSA-N 2 2 165.240 0.767 10 0 ACAELP CCC[NH2+][C@H](C[NH3+])c1ccncn1 69638332 572129114 /nfs/dbraw/zinc/12/91/14/572129114.db2.gz RKMHRSVNBSQEID-SECBINFHSA-N 2 2 180.255 0.476 10 0 ACAELP CC(C)[NH2+][C@H](C[NH3+])c1ccncn1 69638338 572129800 /nfs/dbraw/zinc/12/98/00/572129800.db2.gz YQXCAJCFLYNSAT-SECBINFHSA-N 2 2 180.255 0.474 10 0 ACAELP Cn1cc[nH+]c1C[C@@H]([NH3+])c1cc[nH]n1 687710540 572131720 /nfs/dbraw/zinc/13/17/20/572131720.db2.gz OOWOWHOATTWZED-SSDOTTSWSA-N 2 2 191.238 0.386 10 0 ACAELP CC[C@@H]([NH3+])CC[N@@H+]1CCN(C)C[C@H]1C 300354755 572131736 /nfs/dbraw/zinc/13/17/36/572131736.db2.gz JAVNXLWLNCXIFG-GHMZBOCLSA-N 2 2 199.342 0.750 10 0 ACAELP CC[C@@H]([NH3+])CC[N@H+]1CCN(C)C[C@H]1C 300354755 572131738 /nfs/dbraw/zinc/13/17/38/572131738.db2.gz JAVNXLWLNCXIFG-GHMZBOCLSA-N 2 2 199.342 0.750 10 0 ACAELP CC[C@H]([NH3+])CC[N@@H+]1CCN(C)C[C@H]1C 300354756 572131754 /nfs/dbraw/zinc/13/17/54/572131754.db2.gz JAVNXLWLNCXIFG-MNOVXSKESA-N 2 2 199.342 0.750 10 0 ACAELP CC[C@H]([NH3+])CC[N@H+]1CCN(C)C[C@H]1C 300354756 572131757 /nfs/dbraw/zinc/13/17/57/572131757.db2.gz JAVNXLWLNCXIFG-MNOVXSKESA-N 2 2 199.342 0.750 10 0 ACAELP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 43327064 572132031 /nfs/dbraw/zinc/13/20/31/572132031.db2.gz YHKAQPMHPKEHBJ-WDEREUQCSA-N 3 2 197.326 0.280 10 0 ACAELP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 43327064 572132034 /nfs/dbraw/zinc/13/20/34/572132034.db2.gz YHKAQPMHPKEHBJ-WDEREUQCSA-N 3 2 197.326 0.280 10 0 ACAELP Cn1cc[nH+]c1C[C@H]([NH3+])c1cc[nH]n1 687710541 572132202 /nfs/dbraw/zinc/13/22/02/572132202.db2.gz OOWOWHOATTWZED-ZETCQYMHSA-N 2 2 191.238 0.386 10 0 ACAELP CC[C@H](CO)[NH2+][C@@H]1CCC[NH2+]C1 43325070 572132380 /nfs/dbraw/zinc/13/23/80/572132380.db2.gz YVBGYFMIENIARR-RKDXNWHRSA-N 2 2 172.272 0.099 10 0 ACAELP c1n[nH]cc1C[NH2+][C@H]1CCC[NH2+]C1 43327332 572132537 /nfs/dbraw/zinc/13/25/37/572132537.db2.gz NVJMRHPIZYLHRM-VIFPVBQESA-N 2 2 180.255 0.251 10 0 ACAELP Cn1ccc([C@@H]([NH3+])[C@H]2CCC[NH2+]2)c1 71498035 572133046 /nfs/dbraw/zinc/13/30/46/572133046.db2.gz SPKOTMIIWUQQIH-NXEZZACHSA-N 2 2 179.267 0.777 10 0 ACAELP Cn1ccc([C@H]([NH3+])[C@H]2CCC[NH2+]2)c1 71498032 572133170 /nfs/dbraw/zinc/13/31/70/572133170.db2.gz SPKOTMIIWUQQIH-ZJUUUORDSA-N 2 2 179.267 0.777 10 0 ACAELP Cn1ccc([C@H]([NH3+])[C@@H]2CCC[NH2+]2)c1 71498024 572133290 /nfs/dbraw/zinc/13/32/90/572133290.db2.gz SPKOTMIIWUQQIH-UWVGGRQHSA-N 2 2 179.267 0.777 10 0 ACAELP Cn1ccc([C@@H]([NH3+])[C@@H]2CCC[NH2+]2)c1 71498029 572133428 /nfs/dbraw/zinc/13/34/28/572133428.db2.gz SPKOTMIIWUQQIH-VHSXEESVSA-N 2 2 179.267 0.777 10 0 ACAELP C[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCOC2)C1 300359233 572133501 /nfs/dbraw/zinc/13/35/01/572133501.db2.gz HCUSOIQPWQMDOT-QWRGUYRKSA-N 2 2 198.310 0.707 10 0 ACAELP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCOC2)C1 300359233 572133506 /nfs/dbraw/zinc/13/35/06/572133506.db2.gz HCUSOIQPWQMDOT-QWRGUYRKSA-N 2 2 198.310 0.707 10 0 ACAELP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 43327063 572133858 /nfs/dbraw/zinc/13/38/58/572133858.db2.gz YHKAQPMHPKEHBJ-GHMZBOCLSA-N 3 2 197.326 0.280 10 0 ACAELP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 43327063 572133860 /nfs/dbraw/zinc/13/38/60/572133860.db2.gz YHKAQPMHPKEHBJ-GHMZBOCLSA-N 3 2 197.326 0.280 10 0 ACAELP CCC[C@@H](C)N1CC[NH2+]C[C@H]1C[NH3+] 300349884 572134162 /nfs/dbraw/zinc/13/41/62/572134162.db2.gz SMYAOFJEJFKYQI-NXEZZACHSA-N 2 2 185.315 0.408 10 0 ACAELP CCC[C@@H](C)[N@@H+]1CCNC[C@H]1C[NH3+] 300349884 572134166 /nfs/dbraw/zinc/13/41/66/572134166.db2.gz SMYAOFJEJFKYQI-NXEZZACHSA-N 2 2 185.315 0.408 10 0 ACAELP CCC[C@@H](C)[N@H+]1CCNC[C@H]1C[NH3+] 300349884 572134168 /nfs/dbraw/zinc/13/41/68/572134168.db2.gz SMYAOFJEJFKYQI-NXEZZACHSA-N 2 2 185.315 0.408 10 0 ACAELP c1n[nH]cc1C[NH2+][C@@H]1CCC[NH2+]C1 43327331 572134235 /nfs/dbraw/zinc/13/42/35/572134235.db2.gz NVJMRHPIZYLHRM-SECBINFHSA-N 2 2 180.255 0.251 10 0 ACAELP CC[C@@H]1C[C@H]1[NH2+]C[C@H]1C[NH2+]CCO1 300378637 572136974 /nfs/dbraw/zinc/13/69/74/572136974.db2.gz GTZDRDPQUCOFKD-OPRDCNLKSA-N 2 2 184.283 0.363 10 0 ACAELP CCC[C@H](C)N1CC[NH2+]C[C@H]1C[NH3+] 300349885 572134745 /nfs/dbraw/zinc/13/47/45/572134745.db2.gz SMYAOFJEJFKYQI-VHSXEESVSA-N 2 2 185.315 0.408 10 0 ACAELP CCC[C@H](C)[N@@H+]1CCNC[C@H]1C[NH3+] 300349885 572134748 /nfs/dbraw/zinc/13/47/48/572134748.db2.gz SMYAOFJEJFKYQI-VHSXEESVSA-N 2 2 185.315 0.408 10 0 ACAELP CCC[C@H](C)[N@H+]1CCNC[C@H]1C[NH3+] 300349885 572134751 /nfs/dbraw/zinc/13/47/51/572134751.db2.gz SMYAOFJEJFKYQI-VHSXEESVSA-N 2 2 185.315 0.408 10 0 ACAELP C[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 300359234 572134997 /nfs/dbraw/zinc/13/49/97/572134997.db2.gz HCUSOIQPWQMDOT-WDEREUQCSA-N 2 2 198.310 0.707 10 0 ACAELP C[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 300359234 572135000 /nfs/dbraw/zinc/13/50/00/572135000.db2.gz HCUSOIQPWQMDOT-WDEREUQCSA-N 2 2 198.310 0.707 10 0 ACAELP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 300378152 572135829 /nfs/dbraw/zinc/13/58/29/572135829.db2.gz GKNCXXLSAVXFRC-VWYCJHECSA-N 2 2 198.310 0.753 10 0 ACAELP CCC[NH2+][C@@H](CO)C[NH+]1CCCC1 82884238 572135833 /nfs/dbraw/zinc/13/58/33/572135833.db2.gz XZXKGLOBXMZKQO-SNVBAGLBSA-N 2 2 186.299 0.443 10 0 ACAELP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1C[NH2+]CCO1 300378636 572136109 /nfs/dbraw/zinc/13/61/09/572136109.db2.gz GTZDRDPQUCOFKD-BBBLOLIVSA-N 2 2 184.283 0.363 10 0 ACAELP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1C[NH2+]CCO1 300378151 572136153 /nfs/dbraw/zinc/13/61/53/572136153.db2.gz GKNCXXLSAVXFRC-MXWKQRLJSA-N 2 2 198.310 0.753 10 0 ACAELP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 300378638 572136168 /nfs/dbraw/zinc/13/61/68/572136168.db2.gz GTZDRDPQUCOFKD-UTLUCORTSA-N 2 2 184.283 0.363 10 0 ACAELP C[N@H+](C[C@@]([NH3+])(CO)C1CC1)C1CC1 82885747 572136328 /nfs/dbraw/zinc/13/63/28/572136328.db2.gz NXWRZQKXMPAPMJ-SNVBAGLBSA-N 2 2 184.283 0.180 10 0 ACAELP C[N@@H+](C[C@@]([NH3+])(CO)C1CC1)C1CC1 82885747 572136331 /nfs/dbraw/zinc/13/63/31/572136331.db2.gz NXWRZQKXMPAPMJ-SNVBAGLBSA-N 2 2 184.283 0.180 10 0 ACAELP CCC[C@@H]1C[C@H]1[NH2+]C[C@H]1C[NH2+]CCO1 300378150 572136489 /nfs/dbraw/zinc/13/64/89/572136489.db2.gz GKNCXXLSAVXFRC-GMTAPVOTSA-N 2 2 198.310 0.753 10 0 ACAELP 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CCCCC[N@H+](C)[C@H](CO)[C@@H](C)[NH3+] 82987086 572163128 /nfs/dbraw/zinc/16/31/28/572163128.db2.gz RVHRKWYIOKHBQT-NXEZZACHSA-N 2 2 188.315 0.817 10 0 ACAELP CCCCC[N@@H+](C)[C@H](CO)[C@@H](C)[NH3+] 82987086 572163131 /nfs/dbraw/zinc/16/31/31/572163131.db2.gz RVHRKWYIOKHBQT-NXEZZACHSA-N 2 2 188.315 0.817 10 0 ACAELP CCC[N@H+](C)C[C@@H]([NH3+])CCO 82988343 572163146 /nfs/dbraw/zinc/16/31/46/572163146.db2.gz IUPIMQRSXHSYOC-QMMMGPOBSA-N 2 2 160.261 0.038 10 0 ACAELP CCC[N@@H+](C)C[C@@H]([NH3+])CCO 82988343 572163150 /nfs/dbraw/zinc/16/31/50/572163150.db2.gz IUPIMQRSXHSYOC-QMMMGPOBSA-N 2 2 160.261 0.038 10 0 ACAELP C[NH2+][C@H](CCO)C[NH+]1CCCC1 82989062 572163159 /nfs/dbraw/zinc/16/31/59/572163159.db2.gz UKQXJWYZDFRXJJ-SECBINFHSA-N 2 2 172.272 0.053 10 0 ACAELP CC(C)[N@H+](C)C[C@H]([NH3+])CCO 82988299 572163233 /nfs/dbraw/zinc/16/32/33/572163233.db2.gz RFMXWHAGOOXNMF-MRVPVSSYSA-N 2 2 160.261 0.036 10 0 ACAELP CC(C)[N@@H+](C)C[C@H]([NH3+])CCO 82988299 572163235 /nfs/dbraw/zinc/16/32/35/572163235.db2.gz RFMXWHAGOOXNMF-MRVPVSSYSA-N 2 2 160.261 0.036 10 0 ACAELP CC[N@@H+](C1CC1)[C@H](CO)[C@@H](C)[NH3+] 82987053 572163520 /nfs/dbraw/zinc/16/35/20/572163520.db2.gz XTRFTHPNYFIOPB-VXNVDRBHSA-N 2 2 172.272 0.179 10 0 ACAELP CCCC[N@@H+](C)C[C@@H]([NH3+])CCO 82988312 572163255 /nfs/dbraw/zinc/16/32/55/572163255.db2.gz HQXPHBYLAMTDLU-VIFPVBQESA-N 2 2 174.288 0.428 10 0 ACAELP CC[N@@H+](C1CC1)[C@@H](CO)[C@@H](C)[NH3+] 82987052 572163281 /nfs/dbraw/zinc/16/32/81/572163281.db2.gz XTRFTHPNYFIOPB-APPZFPTMSA-N 2 2 172.272 0.179 10 0 ACAELP CC[N@H+](C1CC1)[C@@H](CO)[C@@H](C)[NH3+] 82987052 572163284 /nfs/dbraw/zinc/16/32/84/572163284.db2.gz XTRFTHPNYFIOPB-APPZFPTMSA-N 2 2 172.272 0.179 10 0 ACAELP CCC[N@H+](C)[C@H](CO)[C@@H](C)[NH3+] 82987073 572163363 /nfs/dbraw/zinc/16/33/63/572163363.db2.gz IUKCHKONXPPEAG-HTQZYQBOSA-N 2 2 160.261 0.036 10 0 ACAELP CCC[N@@H+](C)[C@H](CO)[C@@H](C)[NH3+] 82987073 572163366 /nfs/dbraw/zinc/16/33/66/572163366.db2.gz IUKCHKONXPPEAG-HTQZYQBOSA-N 2 2 160.261 0.036 10 0 ACAELP CCC[N@H+](C)C[C@H]([NH3+])CCO 82988342 572163380 /nfs/dbraw/zinc/16/33/80/572163380.db2.gz IUPIMQRSXHSYOC-MRVPVSSYSA-N 2 2 160.261 0.038 10 0 ACAELP CCC[N@@H+](C)C[C@H]([NH3+])CCO 82988342 572163382 /nfs/dbraw/zinc/16/33/82/572163382.db2.gz IUPIMQRSXHSYOC-MRVPVSSYSA-N 2 2 160.261 0.038 10 0 ACAELP CC(C)CC[N@H+](C)[C@H](CO)[C@@H](C)[NH3+] 82987209 572163442 /nfs/dbraw/zinc/16/34/42/572163442.db2.gz KTWVHDDBJARUEL-NXEZZACHSA-N 2 2 188.315 0.672 10 0 ACAELP CC(C)CC[N@@H+](C)[C@H](CO)[C@@H](C)[NH3+] 82987209 572163443 /nfs/dbraw/zinc/16/34/43/572163443.db2.gz KTWVHDDBJARUEL-NXEZZACHSA-N 2 2 188.315 0.672 10 0 ACAELP CC(C)CC[N@H+](C)C[C@H]([NH3+])CCO 82988432 572163470 /nfs/dbraw/zinc/16/34/70/572163470.db2.gz MVLVAMGHBWDRRA-SNVBAGLBSA-N 2 2 188.315 0.674 10 0 ACAELP CC(C)CC[N@@H+](C)C[C@H]([NH3+])CCO 82988432 572163471 /nfs/dbraw/zinc/16/34/71/572163471.db2.gz MVLVAMGHBWDRRA-SNVBAGLBSA-N 2 2 188.315 0.674 10 0 ACAELP CC[N@H+](C1CC1)[C@H](CO)[C@@H](C)[NH3+] 82987053 572163523 /nfs/dbraw/zinc/16/35/23/572163523.db2.gz XTRFTHPNYFIOPB-VXNVDRBHSA-N 2 2 172.272 0.179 10 0 ACAELP C[C@@H]1CCC[N@H+](C[C@H]([NH3+])CCO)C1 82988293 572163711 /nfs/dbraw/zinc/16/37/11/572163711.db2.gz QFXPLOFUEXRCPG-NXEZZACHSA-N 2 2 186.299 0.428 10 0 ACAELP C[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CCO)C1 82988293 572163716 /nfs/dbraw/zinc/16/37/16/572163716.db2.gz QFXPLOFUEXRCPG-NXEZZACHSA-N 2 2 186.299 0.428 10 0 ACAELP C[NH+](C)CC[NH2+][C@H]1CCC[C@H]1O 37489970 572164064 /nfs/dbraw/zinc/16/40/64/572164064.db2.gz ZHOQFYMGILYIFT-DTWKUNHWSA-N 2 2 172.272 0.051 10 0 ACAELP CC(C)[N@H+](C)C[C@@H]([NH3+])CCO 82988300 572163832 /nfs/dbraw/zinc/16/38/32/572163832.db2.gz RFMXWHAGOOXNMF-QMMMGPOBSA-N 2 2 160.261 0.036 10 0 ACAELP CC(C)[N@@H+](C)C[C@@H]([NH3+])CCO 82988300 572163834 /nfs/dbraw/zinc/16/38/34/572163834.db2.gz RFMXWHAGOOXNMF-QMMMGPOBSA-N 2 2 160.261 0.036 10 0 ACAELP C[NH+](C)CC[NH2+][C@H]1CCCC[C@H]1O 37490688 572164055 /nfs/dbraw/zinc/16/40/55/572164055.db2.gz HCFQXEYHFNADIF-VHSXEESVSA-N 2 2 186.299 0.441 10 0 ACAELP [NH3+][C@@H](CCO)C[NH+]1CCCCC1 82988302 572163873 /nfs/dbraw/zinc/16/38/73/572163873.db2.gz DWSBYZCTBRDQEJ-VIFPVBQESA-N 2 2 172.272 0.182 10 0 ACAELP NC(=[NH2+])C[N@@H+]1CC[C@]2(CCOC2)C1 687890812 572163888 /nfs/dbraw/zinc/16/38/88/572163888.db2.gz YTVYLEKTDFODPV-VIFPVBQESA-N 2 2 183.255 0.035 10 0 ACAELP NC(=[NH2+])C[N@H+]1CC[C@]2(CCOC2)C1 687890812 572163906 /nfs/dbraw/zinc/16/39/06/572163906.db2.gz YTVYLEKTDFODPV-VIFPVBQESA-N 2 2 183.255 0.035 10 0 ACAELP CC(C)CC[N@H+](C)[C@@H](CO)[C@@H](C)[NH3+] 82987208 572164411 /nfs/dbraw/zinc/16/44/11/572164411.db2.gz KTWVHDDBJARUEL-ZJUUUORDSA-N 2 2 188.315 0.672 10 0 ACAELP CC(C)CC[N@@H+](C)[C@@H](CO)[C@@H](C)[NH3+] 82987208 572164415 /nfs/dbraw/zinc/16/44/15/572164415.db2.gz KTWVHDDBJARUEL-ZJUUUORDSA-N 2 2 188.315 0.672 10 0 ACAELP C[NH+](C)CC[NH2+][C@@H]1CCCC[C@@H]1O 37490685 572164426 /nfs/dbraw/zinc/16/44/26/572164426.db2.gz HCFQXEYHFNADIF-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP C[NH+](C)CC[NH2+][C@@H]1CCCC[C@H]1O 37490687 572164510 /nfs/dbraw/zinc/16/45/10/572164510.db2.gz HCFQXEYHFNADIF-NXEZZACHSA-N 2 2 186.299 0.441 10 0 ACAELP CCC[N@H+](C[C@@H]([NH3+])CCO)C1CC1 82988341 572164580 /nfs/dbraw/zinc/16/45/80/572164580.db2.gz IPECUXATMGDBIB-VIFPVBQESA-N 2 2 186.299 0.571 10 0 ACAELP CCC[N@@H+](C[C@@H]([NH3+])CCO)C1CC1 82988341 572164585 /nfs/dbraw/zinc/16/45/85/572164585.db2.gz IPECUXATMGDBIB-VIFPVBQESA-N 2 2 186.299 0.571 10 0 ACAELP CC(C)CC[N@H+](C)C[C@@H]([NH3+])CCO 82988433 572164656 /nfs/dbraw/zinc/16/46/56/572164656.db2.gz MVLVAMGHBWDRRA-JTQLQIEISA-N 2 2 188.315 0.674 10 0 ACAELP CC(C)CC[N@@H+](C)C[C@@H]([NH3+])CCO 82988433 572164662 /nfs/dbraw/zinc/16/46/62/572164662.db2.gz MVLVAMGHBWDRRA-JTQLQIEISA-N 2 2 188.315 0.674 10 0 ACAELP CC[NH+](CC)[C@@H](CO)[C@H](C)[NH3+] 82986973 572164949 /nfs/dbraw/zinc/16/49/49/572164949.db2.gz VAQSJGCEDZSSQC-YUMQZZPRSA-N 2 2 160.261 0.036 10 0 ACAELP CCC[N@H+](C)[C@@H](CO)[C@@H](C)[NH3+] 82987072 572165017 /nfs/dbraw/zinc/16/50/17/572165017.db2.gz IUKCHKONXPPEAG-SFYZADRCSA-N 2 2 160.261 0.036 10 0 ACAELP CCC[N@@H+](C)[C@@H](CO)[C@@H](C)[NH3+] 82987072 572165021 /nfs/dbraw/zinc/16/50/21/572165021.db2.gz IUKCHKONXPPEAG-SFYZADRCSA-N 2 2 160.261 0.036 10 0 ACAELP C[NH2+][C@@H](CCO)C[NH+]1CCCC1 82989061 572165121 /nfs/dbraw/zinc/16/51/21/572165121.db2.gz UKQXJWYZDFRXJJ-VIFPVBQESA-N 2 2 172.272 0.053 10 0 ACAELP CC[NH2+][C@H](CCO)C[NH+](CC)CC 82989076 572165931 /nfs/dbraw/zinc/16/59/31/572165931.db2.gz ZOQNABIMAMLXFA-SNVBAGLBSA-N 2 2 188.315 0.689 10 0 ACAELP CC[NH2+][C@H](CCO)C[NH+]1CCCC1 82989064 572166253 /nfs/dbraw/zinc/16/62/53/572166253.db2.gz ZRGXPJIIGUKZCH-SNVBAGLBSA-N 2 2 186.299 0.443 10 0 ACAELP C[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 82993094 572166034 /nfs/dbraw/zinc/16/60/34/572166034.db2.gz PKIBWZMHZAHCQZ-ZJUUUORDSA-N 2 2 198.310 0.584 10 0 ACAELP C[C@@H](O)CC[NH2+][C@H]1CC[N@H+](C2CC2)C1 82993094 572166036 /nfs/dbraw/zinc/16/60/36/572166036.db2.gz PKIBWZMHZAHCQZ-ZJUUUORDSA-N 2 2 198.310 0.584 10 0 ACAELP CC[NH+](CC)C[C@H](CCO)[NH2+]C 82989074 572166259 /nfs/dbraw/zinc/16/62/59/572166259.db2.gz NYVQIEXWCZJZRZ-VIFPVBQESA-N 2 2 174.288 0.299 10 0 ACAELP CC[NH2+][C@H](CCO)Cn1cc[nH+]c1 82989613 572166211 /nfs/dbraw/zinc/16/62/11/572166211.db2.gz BBYPBFBREFLFBM-SECBINFHSA-N 2 2 183.255 0.244 10 0 ACAELP CC[NH2+][C@@H](CCO)C[N@H+](C)C1CC1 82989174 572166225 /nfs/dbraw/zinc/16/62/25/572166225.db2.gz OWPLKWGTESFJST-VIFPVBQESA-N 2 2 186.299 0.441 10 0 ACAELP CC[NH2+][C@@H](CCO)C[N@@H+](C)C1CC1 82989174 572166228 /nfs/dbraw/zinc/16/62/28/572166228.db2.gz OWPLKWGTESFJST-VIFPVBQESA-N 2 2 186.299 0.441 10 0 ACAELP C[C@@H](O)CC[NH2+][C@@H]1C[NH+]2CCC1CC2 82993882 572166886 /nfs/dbraw/zinc/16/68/86/572166886.db2.gz WULBCCRRYRPVOX-MWLCHTKSSA-N 2 2 198.310 0.441 10 0 ACAELP C[C@@H](O)CC[NH2+][C@H]1CC[N@H+](C)C1 82993719 572166545 /nfs/dbraw/zinc/16/65/45/572166545.db2.gz NNWFLDFQMYGNEE-BDAKNGLRSA-N 2 2 172.272 0.051 10 0 ACAELP C[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C1 82993719 572166550 /nfs/dbraw/zinc/16/65/50/572166550.db2.gz NNWFLDFQMYGNEE-BDAKNGLRSA-N 2 2 172.272 0.051 10 0 ACAELP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)C1 82993713 572166559 /nfs/dbraw/zinc/16/65/59/572166559.db2.gz NNWFLDFQMYGNEE-DTWKUNHWSA-N 2 2 172.272 0.051 10 0 ACAELP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C1 82993713 572166562 /nfs/dbraw/zinc/16/65/62/572166562.db2.gz NNWFLDFQMYGNEE-DTWKUNHWSA-N 2 2 172.272 0.051 10 0 ACAELP C[NH2+][C@@H](CCO)C[N@H+](C)C(C)C 82989117 572166605 /nfs/dbraw/zinc/16/66/05/572166605.db2.gz VZMPBWCBUATEPX-VIFPVBQESA-N 2 2 174.288 0.297 10 0 ACAELP C[NH2+][C@@H](CCO)C[N@@H+](C)C(C)C 82989117 572166610 /nfs/dbraw/zinc/16/66/10/572166610.db2.gz VZMPBWCBUATEPX-VIFPVBQESA-N 2 2 174.288 0.297 10 0 ACAELP CCC[NH2+][C@H](CCO)Cn1cc[nH+]c1 82989609 572166743 /nfs/dbraw/zinc/16/67/43/572166743.db2.gz VGLVJSIFGRMEPT-SNVBAGLBSA-N 2 2 197.282 0.634 10 0 ACAELP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 82993091 572166779 /nfs/dbraw/zinc/16/67/79/572166779.db2.gz PKIBWZMHZAHCQZ-NXEZZACHSA-N 2 2 198.310 0.584 10 0 ACAELP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 82993091 572166784 /nfs/dbraw/zinc/16/67/84/572166784.db2.gz PKIBWZMHZAHCQZ-NXEZZACHSA-N 2 2 198.310 0.584 10 0 ACAELP CC[NH2+][C@@H](CCO)C[N@H+](C)CC 82989162 572166816 /nfs/dbraw/zinc/16/68/16/572166816.db2.gz SXDWFXKEBQULSY-VIFPVBQESA-N 2 2 174.288 0.299 10 0 ACAELP CC[NH2+][C@@H](CCO)C[N@@H+](C)CC 82989162 572166820 /nfs/dbraw/zinc/16/68/20/572166820.db2.gz SXDWFXKEBQULSY-VIFPVBQESA-N 2 2 174.288 0.299 10 0 ACAELP CC[NH2+][C@@H](CCO)Cn1cc[nH+]c1 82989612 572166871 /nfs/dbraw/zinc/16/68/71/572166871.db2.gz BBYPBFBREFLFBM-VIFPVBQESA-N 2 2 183.255 0.244 10 0 ACAELP CCC[NH2+][C@@H](CCO)Cn1cc[nH+]c1 82989608 572166905 /nfs/dbraw/zinc/16/69/05/572166905.db2.gz VGLVJSIFGRMEPT-JTQLQIEISA-N 2 2 197.282 0.634 10 0 ACAELP CCCC[N@H+](C)C[C@@H](CCO)[NH2+]C 82989138 572166928 /nfs/dbraw/zinc/16/69/28/572166928.db2.gz MXSIOHWCBCNFTM-SNVBAGLBSA-N 2 2 188.315 0.689 10 0 ACAELP CCCC[N@@H+](C)C[C@@H](CCO)[NH2+]C 82989138 572166931 /nfs/dbraw/zinc/16/69/31/572166931.db2.gz MXSIOHWCBCNFTM-SNVBAGLBSA-N 2 2 188.315 0.689 10 0 ACAELP CCC[N@H+](C)C[C@H](CCO)[NH2+]C 82989213 572166955 /nfs/dbraw/zinc/16/69/55/572166955.db2.gz LMKKIFNSDVJZDF-VIFPVBQESA-N 2 2 174.288 0.299 10 0 ACAELP CCC[N@@H+](C)C[C@H](CCO)[NH2+]C 82989213 572166958 /nfs/dbraw/zinc/16/69/58/572166958.db2.gz LMKKIFNSDVJZDF-VIFPVBQESA-N 2 2 174.288 0.299 10 0 ACAELP C[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)C1 82993717 572167064 /nfs/dbraw/zinc/16/70/64/572167064.db2.gz NNWFLDFQMYGNEE-IUCAKERBSA-N 2 2 172.272 0.051 10 0 ACAELP C[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C1 82993717 572167067 /nfs/dbraw/zinc/16/70/67/572167067.db2.gz NNWFLDFQMYGNEE-IUCAKERBSA-N 2 2 172.272 0.051 10 0 ACAELP CCC[NH2+][C@@H](CCO)C[N@H+](C)CC 82989164 572167088 /nfs/dbraw/zinc/16/70/88/572167088.db2.gz WKOKECWWKBSFIW-JTQLQIEISA-N 2 2 188.315 0.689 10 0 ACAELP CCC[NH2+][C@@H](CCO)C[N@@H+](C)CC 82989164 572167089 /nfs/dbraw/zinc/16/70/89/572167089.db2.gz WKOKECWWKBSFIW-JTQLQIEISA-N 2 2 188.315 0.689 10 0 ACAELP CC[NH2+][C@H](CCO)C[N@H+](C)C(C)C 82989119 572167126 /nfs/dbraw/zinc/16/71/26/572167126.db2.gz HEMKABICBNNFLT-SNVBAGLBSA-N 2 2 188.315 0.687 10 0 ACAELP CC[NH2+][C@H](CCO)C[N@@H+](C)C(C)C 82989119 572167129 /nfs/dbraw/zinc/16/71/29/572167129.db2.gz HEMKABICBNNFLT-SNVBAGLBSA-N 2 2 188.315 0.687 10 0 ACAELP C[NH2+][C@@H](CCO)C[N@H+](C)C1CC1 82989172 572167180 /nfs/dbraw/zinc/16/71/80/572167180.db2.gz LLXUNCKYJZEFNR-QMMMGPOBSA-N 2 2 172.272 0.051 10 0 ACAELP C[NH2+][C@@H](CCO)C[N@@H+](C)C1CC1 82989172 572167184 /nfs/dbraw/zinc/16/71/84/572167184.db2.gz LLXUNCKYJZEFNR-QMMMGPOBSA-N 2 2 172.272 0.051 10 0 ACAELP C[C@H](O)CC[NH2+][C@H]1C[NH+]2CCC1CC2 82993884 572167230 /nfs/dbraw/zinc/16/72/30/572167230.db2.gz WULBCCRRYRPVOX-ONGXEEELSA-N 2 2 198.310 0.441 10 0 ACAELP CCC[NH2+][C@H](CCO)C[NH+](C)C 82989135 572167297 /nfs/dbraw/zinc/16/72/97/572167297.db2.gz BFXAZBOCGYZAAB-SECBINFHSA-N 2 2 174.288 0.299 10 0 ACAELP CC[N@H+](C[C@H](CCO)[NH2+]C)C1CC1 82989167 572167329 /nfs/dbraw/zinc/16/73/29/572167329.db2.gz CJELDMXFPWZNMH-VIFPVBQESA-N 2 2 186.299 0.441 10 0 ACAELP CC[N@@H+](C[C@H](CCO)[NH2+]C)C1CC1 82989167 572167333 /nfs/dbraw/zinc/16/73/33/572167333.db2.gz CJELDMXFPWZNMH-VIFPVBQESA-N 2 2 186.299 0.441 10 0 ACAELP C[C@H](O)CC[NH2+][C@@H]1C[NH+]2CCC1CC2 82993881 572167412 /nfs/dbraw/zinc/16/74/12/572167412.db2.gz WULBCCRRYRPVOX-GXSJLCMTSA-N 2 2 198.310 0.441 10 0 ACAELP CCC[N@H+](C)C[C@H](CCO)[NH2+]CC 82989215 572167485 /nfs/dbraw/zinc/16/74/85/572167485.db2.gz RMZDOCLDXAFZMN-JTQLQIEISA-N 2 2 188.315 0.689 10 0 ACAELP CCC[N@@H+](C)C[C@H](CCO)[NH2+]CC 82989215 572167489 /nfs/dbraw/zinc/16/74/89/572167489.db2.gz RMZDOCLDXAFZMN-JTQLQIEISA-N 2 2 188.315 0.689 10 0 ACAELP [NH3+]Cc1c[nH+]c([C@H]2C[C@H]3CC[C@@H]2O3)[nH]1 69976368 572167490 /nfs/dbraw/zinc/16/74/90/572167490.db2.gz YAJQJUYGMZCRKV-VGMNWLOBSA-N 2 2 193.250 0.903 10 0 ACAELP CCCC[N@H+](C)C[C@H](CCO)[NH2+]C 82989139 572167530 /nfs/dbraw/zinc/16/75/30/572167530.db2.gz MXSIOHWCBCNFTM-JTQLQIEISA-N 2 2 188.315 0.689 10 0 ACAELP CCCC[N@@H+](C)C[C@H](CCO)[NH2+]C 82989139 572167534 /nfs/dbraw/zinc/16/75/34/572167534.db2.gz MXSIOHWCBCNFTM-JTQLQIEISA-N 2 2 188.315 0.689 10 0 ACAELP C[NH2+][C@H](CCO)C[N@H+](C)C(C)C 82989116 572167586 /nfs/dbraw/zinc/16/75/86/572167586.db2.gz VZMPBWCBUATEPX-SECBINFHSA-N 2 2 174.288 0.297 10 0 ACAELP C[NH2+][C@H](CCO)C[N@@H+](C)C(C)C 82989116 572167587 /nfs/dbraw/zinc/16/75/87/572167587.db2.gz VZMPBWCBUATEPX-SECBINFHSA-N 2 2 174.288 0.297 10 0 ACAELP CC[NH2+][C@@H](CCO)C[NH+](CC)CC 82989075 572167602 /nfs/dbraw/zinc/16/76/02/572167602.db2.gz ZOQNABIMAMLXFA-JTQLQIEISA-N 2 2 188.315 0.689 10 0 ACAELP CCC[NH2+][C@@H](CCO)C[NH+](C)C 82989134 572167554 /nfs/dbraw/zinc/16/75/54/572167554.db2.gz BFXAZBOCGYZAAB-VIFPVBQESA-N 2 2 174.288 0.299 10 0 ACAELP CC[NH2+][C@@H](CCO)C[NH+]1CCCC1 82989063 572167703 /nfs/dbraw/zinc/16/77/03/572167703.db2.gz ZRGXPJIIGUKZCH-JTQLQIEISA-N 2 2 186.299 0.443 10 0 ACAELP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](C)C1 82993715 572167709 /nfs/dbraw/zinc/16/77/09/572167709.db2.gz NNWFLDFQMYGNEE-RKDXNWHRSA-N 2 2 172.272 0.051 10 0 ACAELP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C1 82993715 572167711 /nfs/dbraw/zinc/16/77/11/572167711.db2.gz NNWFLDFQMYGNEE-RKDXNWHRSA-N 2 2 172.272 0.051 10 0 ACAELP C[C@H](O)CC[NH2+][C@H]1CCC[NH2+]C1 82993108 572167735 /nfs/dbraw/zinc/16/77/35/572167735.db2.gz KZDNALMHKNJNIV-IUCAKERBSA-N 2 2 172.272 0.099 10 0 ACAELP C[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 82993093 572167809 /nfs/dbraw/zinc/16/78/09/572167809.db2.gz PKIBWZMHZAHCQZ-UWVGGRQHSA-N 2 2 198.310 0.584 10 0 ACAELP C[C@H](O)CC[NH2+][C@H]1CC[N@H+](C2CC2)C1 82993093 572167811 /nfs/dbraw/zinc/16/78/11/572167811.db2.gz PKIBWZMHZAHCQZ-UWVGGRQHSA-N 2 2 198.310 0.584 10 0 ACAELP CC[NH2+][C@H](CCO)C[N@H+](C)CC 82989163 572167837 /nfs/dbraw/zinc/16/78/37/572167837.db2.gz SXDWFXKEBQULSY-SECBINFHSA-N 2 2 174.288 0.299 10 0 ACAELP CC[NH2+][C@H](CCO)C[N@@H+](C)CC 82989163 572167838 /nfs/dbraw/zinc/16/78/38/572167838.db2.gz SXDWFXKEBQULSY-SECBINFHSA-N 2 2 174.288 0.299 10 0 ACAELP C[C@@H](O)CC[NH2+][C@H]1C[NH+]2CCC1CC2 82993885 572167848 /nfs/dbraw/zinc/16/78/48/572167848.db2.gz WULBCCRRYRPVOX-KOLCDFICSA-N 2 2 198.310 0.441 10 0 ACAELP C[NH2+][C@@H](CCO)C[NH+]1CCCCC1 82989122 572167877 /nfs/dbraw/zinc/16/78/77/572167877.db2.gz GUWSORHYXCYRRG-JTQLQIEISA-N 2 2 186.299 0.443 10 0 ACAELP CCC[N@H+](C)C[C@@H](CCO)[NH2+]CC 82989214 572167886 /nfs/dbraw/zinc/16/78/86/572167886.db2.gz RMZDOCLDXAFZMN-SNVBAGLBSA-N 2 2 188.315 0.689 10 0 ACAELP CCC[N@@H+](C)C[C@@H](CCO)[NH2+]CC 82989214 572167888 /nfs/dbraw/zinc/16/78/88/572167888.db2.gz RMZDOCLDXAFZMN-SNVBAGLBSA-N 2 2 188.315 0.689 10 0 ACAELP CCC[N@H+](C)C[C@@H](CCO)[NH2+]C 82989212 572167975 /nfs/dbraw/zinc/16/79/75/572167975.db2.gz LMKKIFNSDVJZDF-SECBINFHSA-N 2 2 174.288 0.299 10 0 ACAELP CCC[N@@H+](C)C[C@@H](CCO)[NH2+]C 82989212 572167978 /nfs/dbraw/zinc/16/79/78/572167978.db2.gz LMKKIFNSDVJZDF-SECBINFHSA-N 2 2 174.288 0.299 10 0 ACAELP C[C@@H](O)CC[NH2+][C@@H]1CCC[NH2+]C1 82993105 572168054 /nfs/dbraw/zinc/16/80/54/572168054.db2.gz KZDNALMHKNJNIV-RKDXNWHRSA-N 2 2 172.272 0.099 10 0 ACAELP C[NH2+][C@H](CCO)C[N@H+](C)C1CC1 82989173 572168087 /nfs/dbraw/zinc/16/80/87/572168087.db2.gz LLXUNCKYJZEFNR-MRVPVSSYSA-N 2 2 172.272 0.051 10 0 ACAELP C[NH2+][C@H](CCO)C[N@@H+](C)C1CC1 82989173 572168088 /nfs/dbraw/zinc/16/80/88/572168088.db2.gz LLXUNCKYJZEFNR-MRVPVSSYSA-N 2 2 172.272 0.051 10 0 ACAELP CC[N@H+](C[C@@H](CCO)[NH2+]C)C1CC1 82989166 572168123 /nfs/dbraw/zinc/16/81/23/572168123.db2.gz CJELDMXFPWZNMH-SECBINFHSA-N 2 2 186.299 0.441 10 0 ACAELP CC[N@@H+](C[C@@H](CCO)[NH2+]C)C1CC1 82989166 572168126 /nfs/dbraw/zinc/16/81/26/572168126.db2.gz CJELDMXFPWZNMH-SECBINFHSA-N 2 2 186.299 0.441 10 0 ACAELP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 82993088 572168130 /nfs/dbraw/zinc/16/81/30/572168130.db2.gz PKIBWZMHZAHCQZ-VHSXEESVSA-N 2 2 198.310 0.584 10 0 ACAELP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 82993088 572168135 /nfs/dbraw/zinc/16/81/35/572168135.db2.gz PKIBWZMHZAHCQZ-VHSXEESVSA-N 2 2 198.310 0.584 10 0 ACAELP C[C@@H](O)CC[NH2+][C@H]1CCC[NH2+]C1 82993109 572168140 /nfs/dbraw/zinc/16/81/40/572168140.db2.gz KZDNALMHKNJNIV-BDAKNGLRSA-N 2 2 172.272 0.099 10 0 ACAELP C[C@H]1C[NH2+]CC[C@H]1[N@@H+]1CCOC[C@@H]1C 70045649 572168549 /nfs/dbraw/zinc/16/85/49/572168549.db2.gz ADSNPCLIQHTTQM-GARJFASQSA-N 2 2 198.310 0.705 10 0 ACAELP C[C@H]1C[NH2+]CC[C@H]1[N@H+]1CCOC[C@@H]1C 70045649 572168552 /nfs/dbraw/zinc/16/85/52/572168552.db2.gz ADSNPCLIQHTTQM-GARJFASQSA-N 2 2 198.310 0.705 10 0 ACAELP C[C@H](O)CC[NH2+]CCCn1cc[nH+]c1 82997251 572169058 /nfs/dbraw/zinc/16/90/58/572169058.db2.gz UABGDLRLTAXTGK-JTQLQIEISA-N 2 2 197.282 0.634 10 0 ACAELP CC[NH+](CC)CC[NH2+]CC[C@H](C)O 82996205 572169406 /nfs/dbraw/zinc/16/94/06/572169406.db2.gz AGNBJYHAKQJIEO-JTQLQIEISA-N 2 2 188.315 0.689 10 0 ACAELP C[C@H]1C[NH2+]CC[C@@H]1[N@@H+]1CCOC[C@@H]1C 70045646 572169604 /nfs/dbraw/zinc/16/96/04/572169604.db2.gz ADSNPCLIQHTTQM-DCAQKATOSA-N 2 2 198.310 0.705 10 0 ACAELP C[C@H]1C[NH2+]CC[C@@H]1[N@H+]1CCOC[C@@H]1C 70045646 572169606 /nfs/dbraw/zinc/16/96/06/572169606.db2.gz ADSNPCLIQHTTQM-DCAQKATOSA-N 2 2 198.310 0.705 10 0 ACAELP C[C@@H]([NH2+]CC[NH3+])c1cnccn1 70025347 572169731 /nfs/dbraw/zinc/16/97/31/572169731.db2.gz XUMKBWLHXGLMJU-SSDOTTSWSA-N 2 2 166.228 0.086 10 0 ACAELP CC[NH+](CC)CC[NH2+]CC[C@@H](C)O 82996203 572169862 /nfs/dbraw/zinc/16/98/62/572169862.db2.gz AGNBJYHAKQJIEO-SNVBAGLBSA-N 2 2 188.315 0.689 10 0 ACAELP C[C@H]([NH2+]CC[NH3+])c1cnccn1 70025345 572170545 /nfs/dbraw/zinc/17/05/45/572170545.db2.gz XUMKBWLHXGLMJU-ZETCQYMHSA-N 2 2 166.228 0.086 10 0 ACAELP C[C@@H](O)CC[NH2+]CCCn1cc[nH+]c1 82997253 572170680 /nfs/dbraw/zinc/17/06/80/572170680.db2.gz UABGDLRLTAXTGK-SNVBAGLBSA-N 2 2 197.282 0.634 10 0 ACAELP CC[N@H+](C1CC1)[C@@]1(C[NH3+])CCCOC1 70014868 572171068 /nfs/dbraw/zinc/17/10/68/572171068.db2.gz RZVRBQSPRHIMTN-LLVKDONJSA-N 2 2 198.310 0.979 10 0 ACAELP CC[N@@H+](C1CC1)[C@@]1(C[NH3+])CCCOC1 70014868 572171069 /nfs/dbraw/zinc/17/10/69/572171069.db2.gz RZVRBQSPRHIMTN-LLVKDONJSA-N 2 2 198.310 0.979 10 0 ACAELP C[NH2+]CC[N@H+](C)[C@H]1CCCOC1 70016720 572171221 /nfs/dbraw/zinc/17/12/21/572171221.db2.gz CCHIFYCQQVBZEZ-VIFPVBQESA-N 2 2 172.272 0.317 10 0 ACAELP C[NH2+]CC[N@@H+](C)[C@H]1CCCOC1 70016720 572171225 /nfs/dbraw/zinc/17/12/25/572171225.db2.gz CCHIFYCQQVBZEZ-VIFPVBQESA-N 2 2 172.272 0.317 10 0 ACAELP C[NH2+]CC[N@H+](C)[C@@H]1CCCOC1 70016717 572171289 /nfs/dbraw/zinc/17/12/89/572171289.db2.gz CCHIFYCQQVBZEZ-SECBINFHSA-N 2 2 172.272 0.317 10 0 ACAELP C[NH2+]CC[N@@H+](C)[C@@H]1CCCOC1 70016717 572171292 /nfs/dbraw/zinc/17/12/92/572171292.db2.gz CCHIFYCQQVBZEZ-SECBINFHSA-N 2 2 172.272 0.317 10 0 ACAELP C[C@@H](Cn1cc[nH+]c1)n1cc[nH+]c1N 235161700 572171427 /nfs/dbraw/zinc/17/14/27/572171427.db2.gz WGPJJLYAYFJWCK-QMMMGPOBSA-N 2 2 191.238 0.923 10 0 ACAELP [NH3+][C@]1(C[NH2+]Cc2ccco2)CCOC1 83004417 572171446 /nfs/dbraw/zinc/17/14/46/572171446.db2.gz XOWMXMSARYZHSG-JTQLQIEISA-N 2 2 196.250 0.487 10 0 ACAELP CC[N@H+](C1CC1)[C@]1(C[NH3+])CCCOC1 70014866 572171838 /nfs/dbraw/zinc/17/18/38/572171838.db2.gz RZVRBQSPRHIMTN-NSHDSACASA-N 2 2 198.310 0.979 10 0 ACAELP CC[N@@H+](C1CC1)[C@]1(C[NH3+])CCCOC1 70014866 572171841 /nfs/dbraw/zinc/17/18/41/572171841.db2.gz RZVRBQSPRHIMTN-NSHDSACASA-N 2 2 198.310 0.979 10 0 ACAELP C[C@@H](CC(F)(F)F)[NH2+]CC[NH3+] 235160911 572171925 /nfs/dbraw/zinc/17/19/25/572171925.db2.gz OYMDOOUQHHUVER-YFKPBYRVSA-N 2 2 170.178 0.876 10 0 ACAELP C[C@H]1CC[N@@H+]([C@@H]2CCCOC2)C[C@@H]1[NH3+] 70016618 572172245 /nfs/dbraw/zinc/17/22/45/572172245.db2.gz DYHZULFBBVHTMX-AXFHLTTASA-N 2 2 198.310 0.835 10 0 ACAELP C[C@H]1CC[N@H+]([C@@H]2CCCOC2)C[C@@H]1[NH3+] 70016618 572172247 /nfs/dbraw/zinc/17/22/47/572172247.db2.gz DYHZULFBBVHTMX-AXFHLTTASA-N 2 2 198.310 0.835 10 0 ACAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCO[C@H]2CCC[C@@H]21 43425043 572174208 /nfs/dbraw/zinc/17/42/08/572174208.db2.gz LYWMNDURSYQNIF-NAKRPEOUSA-N 2 2 198.310 0.975 10 0 ACAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCO[C@H]2CCC[C@@H]21 43425043 572174209 /nfs/dbraw/zinc/17/42/09/572174209.db2.gz LYWMNDURSYQNIF-NAKRPEOUSA-N 2 2 198.310 0.975 10 0 ACAELP C[C@@H]([NH3+])C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 43425184 572174332 /nfs/dbraw/zinc/17/43/32/572174332.db2.gz IKEGHYAKKSFBCU-VWYCJHECSA-N 2 2 198.310 0.977 10 0 ACAELP C[C@@H]([NH3+])C[N@H+]1CCO[C@H]2CCCC[C@@H]21 43425184 572174334 /nfs/dbraw/zinc/17/43/34/572174334.db2.gz IKEGHYAKKSFBCU-VWYCJHECSA-N 2 2 198.310 0.977 10 0 ACAELP C[C@H](C[NH3+])[N@@H+]1CCO[C@H]2CCCC[C@@H]21 43424887 572174485 /nfs/dbraw/zinc/17/44/85/572174485.db2.gz SCGQPLFVLJHFMK-VWYCJHECSA-N 2 2 198.310 0.977 10 0 ACAELP C[C@H](C[NH3+])[N@H+]1CCO[C@H]2CCCC[C@@H]21 43424887 572174488 /nfs/dbraw/zinc/17/44/88/572174488.db2.gz SCGQPLFVLJHFMK-VWYCJHECSA-N 2 2 198.310 0.977 10 0 ACAELP C[C@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c[nH]1 235648243 572175062 /nfs/dbraw/zinc/17/50/62/572175062.db2.gz VYWHTFIYTYEWID-BDAKNGLRSA-N 2 2 195.266 0.924 10 0 ACAELP C[NH2+][C@@H](C)[C@@H]1CCCC[N@H+]1CCO 70074807 572177295 /nfs/dbraw/zinc/17/72/95/572177295.db2.gz AOIGTIOMEKJAFV-UWVGGRQHSA-N 2 2 186.299 0.441 10 0 ACAELP CC[C@H]([NH3+])C[N@@H+]1CCO[C@H]2CCC[C@@H]21 43428052 572176302 /nfs/dbraw/zinc/17/63/02/572176302.db2.gz ZRVJOCXCYDMAQR-DCAQKATOSA-N 2 2 198.310 0.977 10 0 ACAELP CC[C@H]([NH3+])C[N@H+]1CCO[C@H]2CCC[C@@H]21 43428052 572176305 /nfs/dbraw/zinc/17/63/05/572176305.db2.gz ZRVJOCXCYDMAQR-DCAQKATOSA-N 2 2 198.310 0.977 10 0 ACAELP COCCC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923202 572176420 /nfs/dbraw/zinc/17/64/20/572176420.db2.gz ZZCBFWVIVVBXCQ-VHSXEESVSA-N 2 2 184.283 0.317 10 0 ACAELP COCCC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923202 572176422 /nfs/dbraw/zinc/17/64/22/572176422.db2.gz ZZCBFWVIVVBXCQ-VHSXEESVSA-N 2 2 184.283 0.317 10 0 ACAELP CC(C)([NH3+])C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 43428025 572178742 /nfs/dbraw/zinc/17/87/42/572178742.db2.gz YTQMKKYOEPBTEL-VHSXEESVSA-N 2 2 198.310 0.977 10 0 ACAELP CCOCC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923154 572176859 /nfs/dbraw/zinc/17/68/59/572176859.db2.gz QKVIMWQZKZBPLZ-VHSXEESVSA-N 2 2 184.283 0.317 10 0 ACAELP CCOCC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923154 572176861 /nfs/dbraw/zinc/17/68/61/572176861.db2.gz QKVIMWQZKZBPLZ-VHSXEESVSA-N 2 2 184.283 0.317 10 0 ACAELP CC[C@H](Cc1[nH]cc[nH+]1)[NH2+]C 35503615 572176872 /nfs/dbraw/zinc/17/68/72/572176872.db2.gz FPFSDDFMRUUGQM-SSDOTTSWSA-N 2 2 153.229 0.950 10 0 ACAELP COc1ccc(C[NH2+]CC[NH3+])cc1O 37712282 572176924 /nfs/dbraw/zinc/17/69/24/572176924.db2.gz USQIEWUQLSSGAY-UHFFFAOYSA-N 2 2 196.250 0.449 10 0 ACAELP CC[NH+]1CCC([NH2+]CCC[NH3+])CC1 37713103 572176968 /nfs/dbraw/zinc/17/69/68/572176968.db2.gz KQLGBXDNKVBDQA-UHFFFAOYSA-N 3 2 185.315 0.409 10 0 ACAELP OCCCCC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923241 572177026 /nfs/dbraw/zinc/17/70/26/572177026.db2.gz WTPAQUOALFWPKZ-WDEREUQCSA-N 2 2 198.310 0.443 10 0 ACAELP OCCCCC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923241 572177031 /nfs/dbraw/zinc/17/70/31/572177031.db2.gz WTPAQUOALFWPKZ-WDEREUQCSA-N 2 2 198.310 0.443 10 0 ACAELP C[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1CCO 70074808 572177099 /nfs/dbraw/zinc/17/70/99/572177099.db2.gz AOIGTIOMEKJAFV-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP C[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1CCO 70074808 572177101 /nfs/dbraw/zinc/17/71/01/572177101.db2.gz AOIGTIOMEKJAFV-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP C[NH2+][C@@H](C)[C@@H]1CCCC[N@@H+]1CCO 70074807 572177293 /nfs/dbraw/zinc/17/72/93/572177293.db2.gz AOIGTIOMEKJAFV-UWVGGRQHSA-N 2 2 186.299 0.441 10 0 ACAELP CC(C)[NH+]1CCC([NH2+]CCC[NH3+])CC1 37713101 572177356 /nfs/dbraw/zinc/17/73/56/572177356.db2.gz FAHUILYRZMDXPP-UHFFFAOYSA-N 3 2 199.342 0.798 10 0 ACAELP CCC[NH+]1CCC([NH2+]CCC[NH3+])CC1 37713107 572177434 /nfs/dbraw/zinc/17/74/34/572177434.db2.gz CAGYAOLBQLMLSL-UHFFFAOYSA-N 3 2 199.342 0.799 10 0 ACAELP C[N@@H+]1CC[C@@H](Cn2cc[nH+]c2)C1 60250593 572177577 /nfs/dbraw/zinc/17/75/77/572177577.db2.gz BUDUWEWGBPDBMJ-SECBINFHSA-N 2 2 165.240 0.835 10 0 ACAELP C[N@H+]1CC[C@@H](Cn2cc[nH+]c2)C1 60250593 572177587 /nfs/dbraw/zinc/17/75/87/572177587.db2.gz BUDUWEWGBPDBMJ-SECBINFHSA-N 2 2 165.240 0.835 10 0 ACAELP CC(C)OCC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923258 572178021 /nfs/dbraw/zinc/17/80/21/572178021.db2.gz SDWFLGHKMCVBAB-WDEREUQCSA-N 2 2 198.310 0.705 10 0 ACAELP CC(C)OCC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923258 572178025 /nfs/dbraw/zinc/17/80/25/572178025.db2.gz SDWFLGHKMCVBAB-WDEREUQCSA-N 2 2 198.310 0.705 10 0 ACAELP CC(C)c1nn(C)cc1C[NH2+]CC[NH3+] 37713040 572178073 /nfs/dbraw/zinc/17/80/73/572178073.db2.gz QZADDPRSDBCKIJ-UHFFFAOYSA-N 2 2 196.298 0.592 10 0 ACAELP OCCCC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923201 572178145 /nfs/dbraw/zinc/17/81/45/572178145.db2.gz QDLHNCVCGYMXIX-VHSXEESVSA-N 2 2 184.283 0.053 10 0 ACAELP OCCCC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923201 572178148 /nfs/dbraw/zinc/17/81/48/572178148.db2.gz QDLHNCVCGYMXIX-VHSXEESVSA-N 2 2 184.283 0.053 10 0 ACAELP C[N@@H+]1CC[C@H](Cn2cc[nH+]c2)C1 60250592 572178237 /nfs/dbraw/zinc/17/82/37/572178237.db2.gz BUDUWEWGBPDBMJ-VIFPVBQESA-N 2 2 165.240 0.835 10 0 ACAELP C[N@H+]1CC[C@H](Cn2cc[nH+]c2)C1 60250592 572178243 /nfs/dbraw/zinc/17/82/43/572178243.db2.gz BUDUWEWGBPDBMJ-VIFPVBQESA-N 2 2 165.240 0.835 10 0 ACAELP CC(C)([NH3+])C[N@@H+]1CCO[C@H]2CCC[C@@H]21 43428024 572178636 /nfs/dbraw/zinc/17/86/36/572178636.db2.gz YTQMKKYOEPBTEL-UWVGGRQHSA-N 2 2 198.310 0.977 10 0 ACAELP CC(C)([NH3+])C[N@H+]1CCO[C@H]2CCC[C@@H]21 43428024 572178637 /nfs/dbraw/zinc/17/86/37/572178637.db2.gz YTQMKKYOEPBTEL-UWVGGRQHSA-N 2 2 198.310 0.977 10 0 ACAELP CC(C)([NH3+])C[N@H+]1CCO[C@@H]2CCC[C@@H]21 43428025 572178747 /nfs/dbraw/zinc/17/87/47/572178747.db2.gz YTQMKKYOEPBTEL-VHSXEESVSA-N 2 2 198.310 0.977 10 0 ACAELP CC[C@@H]([NH3+])C[N@@H+]1CCO[C@H]2CCC[C@@H]21 43428053 572178911 /nfs/dbraw/zinc/17/89/11/572178911.db2.gz ZRVJOCXCYDMAQR-VWYCJHECSA-N 2 2 198.310 0.977 10 0 ACAELP CC[C@@H]([NH3+])C[N@H+]1CCO[C@H]2CCC[C@@H]21 43428053 572178914 /nfs/dbraw/zinc/17/89/14/572178914.db2.gz ZRVJOCXCYDMAQR-VWYCJHECSA-N 2 2 198.310 0.977 10 0 ACAELP C[NH2+][C@@H](C)[C@H]1CCCC[N@@H+]1CCO 70074809 572179148 /nfs/dbraw/zinc/17/91/48/572179148.db2.gz AOIGTIOMEKJAFV-VHSXEESVSA-N 2 2 186.299 0.441 10 0 ACAELP C[NH2+][C@@H](C)[C@H]1CCCC[N@H+]1CCO 70074809 572179149 /nfs/dbraw/zinc/17/91/49/572179149.db2.gz AOIGTIOMEKJAFV-VHSXEESVSA-N 2 2 186.299 0.441 10 0 ACAELP C[C@H]([NH2+]CC[NH3+])c1cccnc1 37712380 572179202 /nfs/dbraw/zinc/17/92/02/572179202.db2.gz OTYSDMDIWBIADU-QMMMGPOBSA-N 2 2 165.240 0.691 10 0 ACAELP Cc1nc(C[NH2+]CCC[NH3+])cs1 37713537 572179544 /nfs/dbraw/zinc/17/95/44/572179544.db2.gz CTBVBNUZLBGTOR-UHFFFAOYSA-N 2 2 185.296 0.890 10 0 ACAELP C[C@H]([NH2+]CC[NH3+])c1ccncc1 37712378 572179774 /nfs/dbraw/zinc/17/97/74/572179774.db2.gz DKIVMHWZWAWLIK-QMMMGPOBSA-N 2 2 165.240 0.691 10 0 ACAELP COc1cc(C[NH2+]CC[NH3+])ccc1O 37712263 572179802 /nfs/dbraw/zinc/17/98/02/572179802.db2.gz LCWCHFDMNLADNX-UHFFFAOYSA-N 2 2 196.250 0.449 10 0 ACAELP CC[C@@H](Cc1[nH]cc[nH+]1)[NH2+]C 35503612 572179831 /nfs/dbraw/zinc/17/98/31/572179831.db2.gz FPFSDDFMRUUGQM-ZETCQYMHSA-N 2 2 153.229 0.950 10 0 ACAELP C[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1CCO 70074810 572179940 /nfs/dbraw/zinc/17/99/40/572179940.db2.gz AOIGTIOMEKJAFV-NXEZZACHSA-N 2 2 186.299 0.441 10 0 ACAELP C[NH2+][C@H](C)[C@H]1CCCC[N@H+]1CCO 70074810 572179942 /nfs/dbraw/zinc/17/99/42/572179942.db2.gz AOIGTIOMEKJAFV-NXEZZACHSA-N 2 2 186.299 0.441 10 0 ACAELP Cn1cc[nH+]c1[C@H]1C[C@H]1[NH3+] 19116987 572180220 /nfs/dbraw/zinc/18/02/20/572180220.db2.gz WNTRVEKSOHMVCF-NTSWFWBYSA-N 2 2 137.186 0.235 10 0 ACAELP CC(C)(C)n1cc(C[NH2+]CC[NH3+])cn1 37713030 572180266 /nfs/dbraw/zinc/18/02/66/572180266.db2.gz NNQAJDGDHKZBEP-UHFFFAOYSA-N 2 2 196.298 0.686 10 0 ACAELP C[C@@H]1C[N@@H+]([C@@](C)(C[NH3+])C2CC2)CCO1 35659443 572180471 /nfs/dbraw/zinc/18/04/71/572180471.db2.gz RITYDDSJWXLEFW-KOLCDFICSA-N 2 2 198.310 0.835 10 0 ACAELP C[C@@H]1C[N@H+]([C@@](C)(C[NH3+])C2CC2)CCO1 35659443 572180473 /nfs/dbraw/zinc/18/04/73/572180473.db2.gz RITYDDSJWXLEFW-KOLCDFICSA-N 2 2 198.310 0.835 10 0 ACAELP [NH3+]CCCC[NH2+][C@H]1C[NH+]2CCC1CC2 37715245 572181315 /nfs/dbraw/zinc/18/13/15/572181315.db2.gz ORNCVOOCWDSGEG-NSHDSACASA-N 3 2 197.326 0.409 10 0 ACAELP C[C@H]1C[N@@H+]([C@@](C)(C[NH3+])C2CC2)CCO1 35659444 572181087 /nfs/dbraw/zinc/18/10/87/572181087.db2.gz RITYDDSJWXLEFW-ONGXEEELSA-N 2 2 198.310 0.835 10 0 ACAELP C[C@H]1C[N@H+]([C@@](C)(C[NH3+])C2CC2)CCO1 35659444 572181091 /nfs/dbraw/zinc/18/10/91/572181091.db2.gz RITYDDSJWXLEFW-ONGXEEELSA-N 2 2 198.310 0.835 10 0 ACAELP C[C@@H]1COCC[N@@H+]1CCC(N)=[NH2+] 35776384 572183744 /nfs/dbraw/zinc/18/37/44/572183744.db2.gz GIYVFRUSYXBCLY-SSDOTTSWSA-N 2 2 171.244 0.033 10 0 ACAELP C[C@@H]1COCC[N@H+]1CCC(N)=[NH2+] 35776384 572183747 /nfs/dbraw/zinc/18/37/47/572183747.db2.gz GIYVFRUSYXBCLY-SSDOTTSWSA-N 2 2 171.244 0.033 10 0 ACAELP C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2[NH3+])CCO1 19274662 572182669 /nfs/dbraw/zinc/18/26/69/572182669.db2.gz XAUVQRXAOBGEGS-OUAUKWLOSA-N 2 2 198.310 0.977 10 0 ACAELP C[C@@H]1C[N@H+]([C@@H]2CCCC[C@@H]2[NH3+])CCO1 19274662 572182674 /nfs/dbraw/zinc/18/26/74/572182674.db2.gz XAUVQRXAOBGEGS-OUAUKWLOSA-N 2 2 198.310 0.977 10 0 ACAELP C[C@H](c1ccnn1C)[N@H+](C)CCC[NH3+] 235170429 572183778 /nfs/dbraw/zinc/18/37/78/572183778.db2.gz YNOMGJSWPBLAJP-SECBINFHSA-N 2 2 196.298 0.762 10 0 ACAELP C[C@H](c1ccnn1C)[N@@H+](C)CCC[NH3+] 235170429 572183781 /nfs/dbraw/zinc/18/37/81/572183781.db2.gz YNOMGJSWPBLAJP-SECBINFHSA-N 2 2 196.298 0.762 10 0 ACAELP C[NH+](C)CC[NH2+]CCc1cccnc1 37718464 572182827 /nfs/dbraw/zinc/18/28/27/572182827.db2.gz SHAXHDUFRLCDKD-UHFFFAOYSA-N 2 2 193.294 0.775 10 0 ACAELP C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2[NH3+])[C@H](C)CO1 35784295 572183110 /nfs/dbraw/zinc/18/31/10/572183110.db2.gz XRAMMVSYWJQARN-CHWFTXMASA-N 2 2 198.310 0.975 10 0 ACAELP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2[NH3+])[C@H](C)CO1 35784295 572183111 /nfs/dbraw/zinc/18/31/11/572183111.db2.gz XRAMMVSYWJQARN-CHWFTXMASA-N 2 2 198.310 0.975 10 0 ACAELP C[C@H]1COCC[N@@H+]1CCC(N)=[NH2+] 35776386 572183143 /nfs/dbraw/zinc/18/31/43/572183143.db2.gz GIYVFRUSYXBCLY-ZETCQYMHSA-N 2 2 171.244 0.033 10 0 ACAELP C[C@H]1COCC[N@H+]1CCC(N)=[NH2+] 35776386 572183144 /nfs/dbraw/zinc/18/31/44/572183144.db2.gz GIYVFRUSYXBCLY-ZETCQYMHSA-N 2 2 171.244 0.033 10 0 ACAELP [NH3+]CCCC[NH2+][C@@H]1C[NH+]2CCC1CC2 37715244 572183401 /nfs/dbraw/zinc/18/34/01/572183401.db2.gz ORNCVOOCWDSGEG-LLVKDONJSA-N 3 2 197.326 0.409 10 0 ACAELP C[C@@H]1COCC[N@H+]1[C@@H]1CCCC[C@@H]1[NH3+] 35775429 572184646 /nfs/dbraw/zinc/18/46/46/572184646.db2.gz CCJAXTFTQAYPLN-OUAUKWLOSA-N 2 2 198.310 0.977 10 0 ACAELP CC[C@H](C[NH3+])[N@@H+]1C[C@H](C)OC[C@@H]1C 35783227 572183644 /nfs/dbraw/zinc/18/36/44/572183644.db2.gz AFZBZDVEACTZJB-LPEHRKFASA-N 2 2 186.299 0.833 10 0 ACAELP CC[C@H](C[NH3+])[N@H+]1C[C@H](C)OC[C@@H]1C 35783227 572183647 /nfs/dbraw/zinc/18/36/47/572183647.db2.gz AFZBZDVEACTZJB-LPEHRKFASA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]1COCC[N@@H+]1[C@@H]1CCCC[C@@H]1[NH3+] 35775429 572184644 /nfs/dbraw/zinc/18/46/44/572184644.db2.gz CCJAXTFTQAYPLN-OUAUKWLOSA-N 2 2 198.310 0.977 10 0 ACAELP C[C@H]1C[N@@H+](C2(C[NH3+])CCCC2)CCO1 19508569 572185390 /nfs/dbraw/zinc/18/53/90/572185390.db2.gz CIASHCCQSPIKQP-JTQLQIEISA-N 2 2 198.310 0.979 10 0 ACAELP C[C@H]1C[N@H+](C2(C[NH3+])CCCC2)CCO1 19508569 572185393 /nfs/dbraw/zinc/18/53/93/572185393.db2.gz CIASHCCQSPIKQP-JTQLQIEISA-N 2 2 198.310 0.979 10 0 ACAELP CCOCC[C@H]([NH3+])C[NH+]1CCC1 687791439 572185652 /nfs/dbraw/zinc/18/56/52/572185652.db2.gz MTQRAKPXVXGTEB-VIFPVBQESA-N 2 2 172.272 0.446 10 0 ACAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CCCC2)CCO1 19508567 572185658 /nfs/dbraw/zinc/18/56/58/572185658.db2.gz CIASHCCQSPIKQP-SNVBAGLBSA-N 2 2 198.310 0.979 10 0 ACAELP C[C@@H]1C[N@H+](C2(C[NH3+])CCCC2)CCO1 19508567 572185661 /nfs/dbraw/zinc/18/56/61/572185661.db2.gz CIASHCCQSPIKQP-SNVBAGLBSA-N 2 2 198.310 0.979 10 0 ACAELP CC[C@](C)(C[NH3+])[N@@H+]1CCO[C@@H](C)C1 19517544 572187119 /nfs/dbraw/zinc/18/71/19/572187119.db2.gz DRVXQXVQBSYVIK-VHSXEESVSA-N 2 2 186.299 0.835 10 0 ACAELP CC[C@](C)(C[NH3+])[N@H+]1CCO[C@@H](C)C1 19517544 572187123 /nfs/dbraw/zinc/18/71/23/572187123.db2.gz DRVXQXVQBSYVIK-VHSXEESVSA-N 2 2 186.299 0.835 10 0 ACAELP CCOCC[C@@H]([NH3+])C[NH+]1CCC1 687791438 572187492 /nfs/dbraw/zinc/18/74/92/572187492.db2.gz MTQRAKPXVXGTEB-SECBINFHSA-N 2 2 172.272 0.446 10 0 ACAELP c1[nH]cc([C@H]2[C@H]3C[NH2+][C@@H]2C3)[nH+]1 19490242 572188116 /nfs/dbraw/zinc/18/81/16/572188116.db2.gz GPHOCSQUVIZIPG-JKMUOGBPSA-N 2 2 149.197 0.485 10 0 ACAELP CC[C@@](C)(C[NH3+])[N@@H+]1CCO[C@@H](C)C1 19517543 572188041 /nfs/dbraw/zinc/18/80/41/572188041.db2.gz DRVXQXVQBSYVIK-UWVGGRQHSA-N 2 2 186.299 0.835 10 0 ACAELP CC[C@@](C)(C[NH3+])[N@H+]1CCO[C@@H](C)C1 19517543 572188043 /nfs/dbraw/zinc/18/80/43/572188043.db2.gz DRVXQXVQBSYVIK-UWVGGRQHSA-N 2 2 186.299 0.835 10 0 ACAELP C[C@@H]1C[N@H+](CCC(N)=[NH2+])CCO1 19518204 572188093 /nfs/dbraw/zinc/18/80/93/572188093.db2.gz IHCYGXMYLSFHJU-SSDOTTSWSA-N 2 2 171.244 0.033 10 0 ACAELP C[C@@H]1C[N@@H+](CCC(N)=[NH2+])CCO1 19518204 572188095 /nfs/dbraw/zinc/18/80/95/572188095.db2.gz IHCYGXMYLSFHJU-SSDOTTSWSA-N 2 2 171.244 0.033 10 0 ACAELP C[C@H]1C[N@H+](CCC(N)=[NH2+])CCO1 19518205 572188237 /nfs/dbraw/zinc/18/82/37/572188237.db2.gz IHCYGXMYLSFHJU-ZETCQYMHSA-N 2 2 171.244 0.033 10 0 ACAELP C[C@H]1C[N@@H+](CCC(N)=[NH2+])CCO1 19518205 572188239 /nfs/dbraw/zinc/18/82/39/572188239.db2.gz IHCYGXMYLSFHJU-ZETCQYMHSA-N 2 2 171.244 0.033 10 0 ACAELP CC[NH2+][C@H](C[NH+](C)C)[C@@H](C)COC 687791789 572188430 /nfs/dbraw/zinc/18/84/30/572188430.db2.gz OCUKAWUNBFMZMI-VHSXEESVSA-N 2 2 188.315 0.809 10 0 ACAELP CC[NH2+][C@H](C[NH+](C)C)[C@H](C)COC 687791787 572189357 /nfs/dbraw/zinc/18/93/57/572189357.db2.gz 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CC[C@@H]1C[C@@]2(CO1)[C@@H]([NH3+])CC[N@H+]2CC 711933008 572193608 /nfs/dbraw/zinc/19/36/08/572193608.db2.gz KYXSGYSQFIBLSF-OUAUKWLOSA-N 2 2 198.310 0.977 10 0 ACAELP CC[C@@H]1C[C@]2(CO1)[C@H]([NH3+])CC[N@@H+]2CC 711932984 572193804 /nfs/dbraw/zinc/19/38/04/572193804.db2.gz KYXSGYSQFIBLSF-MXWKQRLJSA-N 2 2 198.310 0.977 10 0 ACAELP CC[C@@H]1C[C@]2(CO1)[C@H]([NH3+])CC[N@H+]2CC 711932984 572193806 /nfs/dbraw/zinc/19/38/06/572193806.db2.gz KYXSGYSQFIBLSF-MXWKQRLJSA-N 2 2 198.310 0.977 10 0 ACAELP CC[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@H](C1)C2=O 19723260 572193867 /nfs/dbraw/zinc/19/38/67/572193867.db2.gz TZTXWMSVCCRORI-LPEHRKFASA-N 2 2 196.294 0.505 10 0 ACAELP CC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@H](C1)C2=O 19723260 572193870 /nfs/dbraw/zinc/19/38/70/572193870.db2.gz TZTXWMSVCCRORI-LPEHRKFASA-N 2 2 196.294 0.505 10 0 ACAELP CCCCN1C[C@H](C)[N@H+](C)C[C@H]1C[NH3+] 249899424 572194300 /nfs/dbraw/zinc/19/43/00/572194300.db2.gz WATBHMJBONONDH-WDEREUQCSA-N 2 2 199.342 0.750 10 0 ACAELP 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/nfs/dbraw/zinc/19/89/11/572198911.db2.gz PGCIBCLFVGZMRI-DTWKUNHWSA-N 2 2 199.298 0.064 10 0 ACAELP CC[C@@H](C[NH3+])[N@H+]1CCCC[C@@H]1C(N)=O 43540378 572198913 /nfs/dbraw/zinc/19/89/13/572198913.db2.gz PGCIBCLFVGZMRI-DTWKUNHWSA-N 2 2 199.298 0.064 10 0 ACAELP C[NH+](C)Cc1c[nH+]c2ccc(N)cn12 36239977 572199172 /nfs/dbraw/zinc/19/91/72/572199172.db2.gz RTMNNFAPOWGCPC-UHFFFAOYSA-N 2 2 190.250 0.978 10 0 ACAELP CC[C@@H](C[NH3+])[N@@H+]1CCOC(C)(C)C1 36232169 572199258 /nfs/dbraw/zinc/19/92/58/572199258.db2.gz OMSKAKXMXOKODD-VIFPVBQESA-N 2 2 186.299 0.835 10 0 ACAELP CC[C@@H](C[NH3+])[N@H+]1CCOC(C)(C)C1 36232169 572199260 /nfs/dbraw/zinc/19/92/60/572199260.db2.gz OMSKAKXMXOKODD-VIFPVBQESA-N 2 2 186.299 0.835 10 0 ACAELP CCC[C@H](C[N@@H+]1CC[C@@H](O)C1)[NH2+]C 167990067 572199341 /nfs/dbraw/zinc/19/93/41/572199341.db2.gz YIZQENOYACPVNS-NXEZZACHSA-N 2 2 186.299 0.441 10 0 ACAELP CCC[C@H](C[N@H+]1CC[C@@H](O)C1)[NH2+]C 167990067 572199346 /nfs/dbraw/zinc/19/93/46/572199346.db2.gz YIZQENOYACPVNS-NXEZZACHSA-N 2 2 186.299 0.441 10 0 ACAELP Cc1cc[nH+]c(N[C@H]2C[C@@H]2[NH3+])c1 43561736 572199570 /nfs/dbraw/zinc/19/95/70/572199570.db2.gz UTJQWZVXUFBAJO-YUMQZZPRSA-N 2 2 163.224 0.902 10 0 ACAELP Cc1cc[nH+]c(N[C@@H]2C[C@H]2[NH3+])c1 43561738 572199580 /nfs/dbraw/zinc/19/95/80/572199580.db2.gz UTJQWZVXUFBAJO-HTQZYQBOSA-N 2 2 163.224 0.902 10 0 ACAELP C[C@H](C[NH3+])[N@H+](C)CCc1ccncc1 19794316 572199583 /nfs/dbraw/zinc/19/95/83/572199583.db2.gz BRBVOMKGVALKIO-SNVBAGLBSA-N 2 2 193.294 0.903 10 0 ACAELP C[C@H](C[NH3+])[N@@H+](C)CCc1ccncc1 19794316 572199584 /nfs/dbraw/zinc/19/95/84/572199584.db2.gz BRBVOMKGVALKIO-SNVBAGLBSA-N 2 2 193.294 0.903 10 0 ACAELP Cc1cc[nH+]c(N[C@@H]2C[C@@H]2[NH3+])c1 43561734 572199809 /nfs/dbraw/zinc/19/98/09/572199809.db2.gz UTJQWZVXUFBAJO-JGVFFNPUSA-N 2 2 163.224 0.902 10 0 ACAELP Cc1cc[nH+]c(N[C@H]2C[C@H]2[NH3+])c1 43561740 572200152 /nfs/dbraw/zinc/20/01/52/572200152.db2.gz UTJQWZVXUFBAJO-SFYZADRCSA-N 2 2 163.224 0.902 10 0 ACAELP Cc1[nH+]c(NCC[NH+](C)C)ccc1N 36245093 572200467 /nfs/dbraw/zinc/20/04/67/572200467.db2.gz SKHREJRZQWKDEE-UHFFFAOYSA-N 2 2 194.282 0.946 10 0 ACAELP Cc1cc(NCC[NH+](C)C)[nH+]cc1N 36245016 572200560 /nfs/dbraw/zinc/20/05/60/572200560.db2.gz RTTZVDKHBXFJGG-UHFFFAOYSA-N 2 2 194.282 0.946 10 0 ACAELP NC(=[NH2+])C[N@@H+]1CCCC[C@H]1CCO 39001873 572201098 /nfs/dbraw/zinc/20/10/98/572201098.db2.gz DUKPVVPMHHKLOK-QMMMGPOBSA-N 2 2 185.271 0.159 10 0 ACAELP NC(=[NH2+])C[N@H+]1CCCC[C@H]1CCO 39001873 572201102 /nfs/dbraw/zinc/20/11/02/572201102.db2.gz DUKPVVPMHHKLOK-QMMMGPOBSA-N 2 2 185.271 0.159 10 0 ACAELP C[N@H+](CC[NH3+])CCc1ccncc1 19794279 572201231 /nfs/dbraw/zinc/20/12/31/572201231.db2.gz YMBLVZSFIKMXFY-UHFFFAOYSA-N 2 2 179.267 0.515 10 0 ACAELP C[N@@H+](CC[NH3+])CCc1ccncc1 19794279 572201233 /nfs/dbraw/zinc/20/12/33/572201233.db2.gz YMBLVZSFIKMXFY-UHFFFAOYSA-N 2 2 179.267 0.515 10 0 ACAELP CCCC[N@@H+]1CCN2CC[NH2+]C[C@H]2C1 249905851 572202007 /nfs/dbraw/zinc/20/20/07/572202007.db2.gz YFMQSPYLUVDAPS-NSHDSACASA-N 2 2 197.326 0.376 10 0 ACAELP CCCC[N@H+]1CCN2CC[NH2+]C[C@H]2C1 249905851 572202012 /nfs/dbraw/zinc/20/20/12/572202012.db2.gz YFMQSPYLUVDAPS-NSHDSACASA-N 2 2 197.326 0.376 10 0 ACAELP C[C@@H](CO)C[NH2+][C@@H]1C[NH+]2CCC1CC2 83220029 572202098 /nfs/dbraw/zinc/20/20/98/572202098.db2.gz SGRHVSCQVVEQDL-MWLCHTKSSA-N 2 2 198.310 0.299 10 0 ACAELP C[C@H](CO)C[NH2+][C@H]1C[NH+]2CCC1CC2 83220030 572202799 /nfs/dbraw/zinc/20/27/99/572202799.db2.gz SGRHVSCQVVEQDL-ONGXEEELSA-N 2 2 198.310 0.299 10 0 ACAELP C[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 83217961 572204769 /nfs/dbraw/zinc/20/47/69/572204769.db2.gz OOZFDHPLKNYGCV-UWVGGRQHSA-N 2 2 198.310 0.441 10 0 ACAELP C[C@H](CO)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 83217961 572204771 /nfs/dbraw/zinc/20/47/71/572204771.db2.gz OOZFDHPLKNYGCV-UWVGGRQHSA-N 2 2 198.310 0.441 10 0 ACAELP C[C@@H](CO)C[NH2+][C@H]1C[NH+]2CCC1CC2 83220031 572203131 /nfs/dbraw/zinc/20/31/31/572203131.db2.gz SGRHVSCQVVEQDL-KOLCDFICSA-N 2 2 198.310 0.299 10 0 ACAELP C[C@H](CO)C[NH2+][C@@H]1C[NH+]2CCC1CC2 83220028 572203146 /nfs/dbraw/zinc/20/31/46/572203146.db2.gz SGRHVSCQVVEQDL-GXSJLCMTSA-N 2 2 198.310 0.299 10 0 ACAELP CCC[N@@H+]1CC[C@H]([NH2+]C2CC(O)C2)C1 393352285 572203533 /nfs/dbraw/zinc/20/35/33/572203533.db2.gz KMGDJCPJRBNSPK-WHXUTIOJSA-N 2 2 198.310 0.584 10 0 ACAELP CCC[N@H+]1CC[C@H]([NH2+]C2CC(O)C2)C1 393352285 572203534 /nfs/dbraw/zinc/20/35/34/572203534.db2.gz KMGDJCPJRBNSPK-WHXUTIOJSA-N 2 2 198.310 0.584 10 0 ACAELP CCC[N@H+]1CC[C@@H]([NH2+]C2CC(O)C2)C1 393352282 572203983 /nfs/dbraw/zinc/20/39/83/572203983.db2.gz KMGDJCPJRBNSPK-KPPDAEKUSA-N 2 2 198.310 0.584 10 0 ACAELP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC(O)C2)C1 393352282 572203981 /nfs/dbraw/zinc/20/39/81/572203981.db2.gz KMGDJCPJRBNSPK-KPPDAEKUSA-N 2 2 198.310 0.584 10 0 ACAELP C[C@@H](CO)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 83217959 572204498 /nfs/dbraw/zinc/20/44/98/572204498.db2.gz OOZFDHPLKNYGCV-NXEZZACHSA-N 2 2 198.310 0.441 10 0 ACAELP C[C@@H](CO)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 83217959 572204501 /nfs/dbraw/zinc/20/45/01/572204501.db2.gz OOZFDHPLKNYGCV-NXEZZACHSA-N 2 2 198.310 0.441 10 0 ACAELP CC[NH+](CC)CC[NH2+]C[C@H](C)CO 83385878 572204508 /nfs/dbraw/zinc/20/45/08/572204508.db2.gz SRSCGJMFWWHNEG-JTQLQIEISA-N 2 2 188.315 0.546 10 0 ACAELP COC[C@@H](C)[C@H]([NH3+])C[NH+]1CCC1 687794657 572206276 /nfs/dbraw/zinc/20/62/76/572206276.db2.gz NBBCWGMOGXISKL-RKDXNWHRSA-N 2 2 172.272 0.302 10 0 ACAELP CCC[NH2+]CCc1c[nH]c[nH+]1 83339588 572205092 /nfs/dbraw/zinc/20/50/92/572205092.db2.gz XKJAMVXNXFVWOI-UHFFFAOYSA-N 2 2 153.229 0.952 10 0 ACAELP CCC[NH2+]CCc1c[nH+]c[nH]1 83339588 572205095 /nfs/dbraw/zinc/20/50/95/572205095.db2.gz XKJAMVXNXFVWOI-UHFFFAOYSA-N 2 2 153.229 0.952 10 0 ACAELP C[C@@H](CO)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 83217963 572205194 /nfs/dbraw/zinc/20/51/94/572205194.db2.gz OOZFDHPLKNYGCV-ZJUUUORDSA-N 2 2 198.310 0.441 10 0 ACAELP C[C@@H](CO)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 83217963 572205195 /nfs/dbraw/zinc/20/51/95/572205195.db2.gz OOZFDHPLKNYGCV-ZJUUUORDSA-N 2 2 198.310 0.441 10 0 ACAELP CCC[NH2+][C@@H](CCOC)C[NH+](C)C 687793774 572205208 /nfs/dbraw/zinc/20/52/08/572205208.db2.gz CNUCLGZCKGLWNB-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP COC[C@@H](C)[C@@H]([NH3+])C[NH+]1CCC1 687794653 572206399 /nfs/dbraw/zinc/20/63/99/572206399.db2.gz NBBCWGMOGXISKL-BDAKNGLRSA-N 2 2 172.272 0.302 10 0 ACAELP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 83217957 572205223 /nfs/dbraw/zinc/20/52/23/572205223.db2.gz OOZFDHPLKNYGCV-VHSXEESVSA-N 2 2 198.310 0.441 10 0 ACAELP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 83217957 572205225 /nfs/dbraw/zinc/20/52/25/572205225.db2.gz OOZFDHPLKNYGCV-VHSXEESVSA-N 2 2 198.310 0.441 10 0 ACAELP CCC[NH2+][C@H](CCOC)C[NH+](C)C 687793775 572205659 /nfs/dbraw/zinc/20/56/59/572205659.db2.gz CNUCLGZCKGLWNB-SNVBAGLBSA-N 2 2 188.315 0.953 10 0 ACAELP C1CO[C@@H](C[NH2+]CC[NH2+]CC2CC2)C1 40410498 572206184 /nfs/dbraw/zinc/20/61/84/572206184.db2.gz AQADXASXXBKOAT-LLVKDONJSA-N 2 2 198.310 0.755 10 0 ACAELP C[NH+](C)Cc1nnc(CCCC[NH3+])o1 83342943 572206239 /nfs/dbraw/zinc/20/62/39/572206239.db2.gz DKEHYXOCIOJQIF-UHFFFAOYSA-N 2 2 198.270 0.413 10 0 ACAELP COC[C@H](C)[C@@H]([NH3+])C[NH+]1CCC1 687794656 572206761 /nfs/dbraw/zinc/20/67/61/572206761.db2.gz NBBCWGMOGXISKL-IUCAKERBSA-N 2 2 172.272 0.302 10 0 ACAELP C[C@@H](CO)C[NH2+]CCCn1cc[nH+]c1 83386388 572207568 /nfs/dbraw/zinc/20/75/68/572207568.db2.gz VWXGSMSHIPNIOA-SNVBAGLBSA-N 2 2 197.282 0.491 10 0 ACAELP COC[C@H](C)[C@H]([NH3+])C[NH+]1CCC1 687794654 572207752 /nfs/dbraw/zinc/20/77/52/572207752.db2.gz NBBCWGMOGXISKL-DTWKUNHWSA-N 2 2 172.272 0.302 10 0 ACAELP C[C@H](CO)C[NH2+]CCCn1cc[nH+]c1 83386387 572208295 /nfs/dbraw/zinc/20/82/95/572208295.db2.gz VWXGSMSHIPNIOA-JTQLQIEISA-N 2 2 197.282 0.491 10 0 ACAELP CC[C@@H](C[NH3+])[NH+]1CCSCC1 20257164 572211263 /nfs/dbraw/zinc/21/12/63/572211263.db2.gz WDTZYJMJVQOOMN-QMMMGPOBSA-N 2 2 174.313 0.773 10 0 ACAELP CC[C@H](C[NH3+])[NH+]1CCSCC1 20257165 572211090 /nfs/dbraw/zinc/21/10/90/572211090.db2.gz WDTZYJMJVQOOMN-MRVPVSSYSA-N 2 2 174.313 0.773 10 0 ACAELP c1cn(CCN2CCC[NH2+]CC2)c[nH+]1 20253477 572212200 /nfs/dbraw/zinc/21/22/00/572212200.db2.gz RKUFVUVUAMSQOP-UHFFFAOYSA-N 2 2 194.282 0.178 10 0 ACAELP c1cn(CC[N@@H+]2CCC[NH2+]CC2)cn1 20253477 572212204 /nfs/dbraw/zinc/21/22/04/572212204.db2.gz RKUFVUVUAMSQOP-UHFFFAOYSA-N 2 2 194.282 0.178 10 0 ACAELP c1cn(CC[N@H+]2CCC[NH2+]CC2)cn1 20253477 572212208 /nfs/dbraw/zinc/21/22/08/572212208.db2.gz RKUFVUVUAMSQOP-UHFFFAOYSA-N 2 2 194.282 0.178 10 0 ACAELP C[NH+](C)CC[NH2+]CC1CC[NH2+]CC1 41203275 572213939 /nfs/dbraw/zinc/21/39/39/572213939.db2.gz UMIRWFHJARHZHR-UHFFFAOYSA-N 3 2 185.315 0.137 10 0 ACAELP CCCC[NH2+]C[C@H]1C[NH2+]CCO1 43802472 572214788 /nfs/dbraw/zinc/21/47/88/572214788.db2.gz QRYWSXYZQOQBMD-VIFPVBQESA-N 2 2 172.272 0.365 10 0 ACAELP CC(C)[N@H+](C)C[C@@H]1C[NH2+]CCO1 43801955 572215038 /nfs/dbraw/zinc/21/50/38/572215038.db2.gz JTFNNBIYAWRGET-VIFPVBQESA-N 2 2 172.272 0.315 10 0 ACAELP CC(C)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 43801955 572215041 /nfs/dbraw/zinc/21/50/41/572215041.db2.gz JTFNNBIYAWRGET-VIFPVBQESA-N 2 2 172.272 0.315 10 0 ACAELP C[N@H+](C[C@H]1C[NH2+]CCO1)C1CC1 43802114 572215219 /nfs/dbraw/zinc/21/52/19/572215219.db2.gz UEDBXFRTXORFQZ-SECBINFHSA-N 2 2 170.256 0.069 10 0 ACAELP C[N@@H+](C[C@H]1C[NH2+]CCO1)C1CC1 43802114 572215222 /nfs/dbraw/zinc/21/52/22/572215222.db2.gz UEDBXFRTXORFQZ-SECBINFHSA-N 2 2 170.256 0.069 10 0 ACAELP CC(C)[N@H+](C)C[C@H]1C[NH2+]CCO1 43801958 572215662 /nfs/dbraw/zinc/21/56/62/572215662.db2.gz JTFNNBIYAWRGET-SECBINFHSA-N 2 2 172.272 0.315 10 0 ACAELP CC(C)[N@@H+](C)C[C@H]1C[NH2+]CCO1 43801958 572215663 /nfs/dbraw/zinc/21/56/63/572215663.db2.gz JTFNNBIYAWRGET-SECBINFHSA-N 2 2 172.272 0.315 10 0 ACAELP C[N@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 43802110 572215943 /nfs/dbraw/zinc/21/59/43/572215943.db2.gz UEDBXFRTXORFQZ-VIFPVBQESA-N 2 2 170.256 0.069 10 0 ACAELP C[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 43802110 572215946 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83606275 572346896 /nfs/dbraw/zinc/34/68/96/572346896.db2.gz ZQRXJWUSJATKAF-JTQLQIEISA-N 2 2 186.299 0.694 10 0 ACAELP C[NH2+]CCc1cn(CCOC)c[nH+]1 87016595 572346943 /nfs/dbraw/zinc/34/69/43/572346943.db2.gz JGNRZLJYUCPEPP-UHFFFAOYSA-N 2 2 183.255 0.291 10 0 ACAELP CO[C@H]1CC[C@@H]([N@@H+]2CCC[NH2+]CC2)C1 235006910 572347084 /nfs/dbraw/zinc/34/70/84/572347084.db2.gz SUPAUTZSGQYAMK-MNOVXSKESA-N 2 2 198.310 0.849 10 0 ACAELP CC[C@@H](C[NH2+]C)[NH+](C)C 52422622 572347195 /nfs/dbraw/zinc/34/71/95/572347195.db2.gz MKXFMXROSGNKMZ-ZETCQYMHSA-N 2 2 130.235 0.546 10 0 ACAELP CC[NH2+]C[C@H](CC)[NH+](C)C 52422624 572347334 /nfs/dbraw/zinc/34/73/34/572347334.db2.gz TZCOGWQHIQSSFI-QMMMGPOBSA-N 2 2 144.262 0.936 10 0 ACAELP CC[NH2+]CCc1cn(CCOC)c[nH+]1 87016739 572347345 /nfs/dbraw/zinc/34/73/45/572347345.db2.gz HYZVREGCJKNAEC-UHFFFAOYSA-N 2 2 197.282 0.682 10 0 ACAELP CC[NH2+]CCc1cn(CCO)c[nH+]1 87016741 572347413 /nfs/dbraw/zinc/34/74/13/572347413.db2.gz GBQAEJVMMRGFHC-UHFFFAOYSA-N 2 2 183.255 0.027 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572350096 /nfs/dbraw/zinc/35/00/96/572350096.db2.gz HIJCXBCOXSSHTA-SECBINFHSA-N 2 2 197.282 0.967 10 0 ACAELP COC[C@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610467 572350137 /nfs/dbraw/zinc/35/01/37/572350137.db2.gz WPOZNSNBXPFGHS-QMMMGPOBSA-N 2 2 183.255 0.577 10 0 ACAELP COC[C@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610467 572350140 /nfs/dbraw/zinc/35/01/40/572350140.db2.gz WPOZNSNBXPFGHS-QMMMGPOBSA-N 2 2 183.255 0.577 10 0 ACAELP COCC[C@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610464 572350442 /nfs/dbraw/zinc/35/04/42/572350442.db2.gz MNRJRWVMGSOVAH-VIFPVBQESA-N 2 2 197.282 0.967 10 0 ACAELP COCC[C@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610464 572350447 /nfs/dbraw/zinc/35/04/47/572350447.db2.gz MNRJRWVMGSOVAH-VIFPVBQESA-N 2 2 197.282 0.967 10 0 ACAELP COCC[C@@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610465 572350532 /nfs/dbraw/zinc/35/05/32/572350532.db2.gz MNRJRWVMGSOVAH-SECBINFHSA-N 2 2 197.282 0.967 10 0 ACAELP COCC[C@@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610465 572350535 /nfs/dbraw/zinc/35/05/35/572350535.db2.gz MNRJRWVMGSOVAH-SECBINFHSA-N 2 2 197.282 0.967 10 0 ACAELP c1[nH]cc(CC[NH2+]C[C@H]2CCOC2)[nH+]1 83610366 572350545 /nfs/dbraw/zinc/35/05/45/572350545.db2.gz QIMGDXRJDMILQM-SECBINFHSA-N 2 2 195.266 0.578 10 0 ACAELP c1[nH]c(CC[NH2+]C[C@H]2CCOC2)c[nH+]1 83610366 572350551 /nfs/dbraw/zinc/35/05/51/572350551.db2.gz QIMGDXRJDMILQM-SECBINFHSA-N 2 2 195.266 0.578 10 0 ACAELP c1[nH]cc(CC[NH2+][C@H]2CCOC2)[nH+]1 83610155 572350702 /nfs/dbraw/zinc/35/07/02/572350702.db2.gz NHBUWKWGRCKMPN-VIFPVBQESA-N 2 2 181.239 0.331 10 0 ACAELP c1[nH]c(CC[NH2+][C@H]2CCOC2)c[nH+]1 83610155 572350705 /nfs/dbraw/zinc/35/07/05/572350705.db2.gz NHBUWKWGRCKMPN-VIFPVBQESA-N 2 2 181.239 0.331 10 0 ACAELP COC[C@@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610469 572350900 /nfs/dbraw/zinc/35/09/00/572350900.db2.gz WPOZNSNBXPFGHS-MRVPVSSYSA-N 2 2 183.255 0.577 10 0 ACAELP COC[C@@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610469 572350903 /nfs/dbraw/zinc/35/09/03/572350903.db2.gz WPOZNSNBXPFGHS-MRVPVSSYSA-N 2 2 183.255 0.577 10 0 ACAELP c1[nH]cc(CC[NH2+]C[C@@H]2CCOC2)[nH+]1 83610363 572351023 /nfs/dbraw/zinc/35/10/23/572351023.db2.gz QIMGDXRJDMILQM-VIFPVBQESA-N 2 2 195.266 0.578 10 0 ACAELP c1[nH]c(CC[NH2+]C[C@@H]2CCOC2)c[nH+]1 83610363 572351027 /nfs/dbraw/zinc/35/10/27/572351027.db2.gz QIMGDXRJDMILQM-VIFPVBQESA-N 2 2 195.266 0.578 10 0 ACAELP c1cc(C[NH2+]CCc2c[nH]c[nH+]2)n[nH]1 83610595 572351221 /nfs/dbraw/zinc/35/12/21/572351221.db2.gz TVKXWFWKAFTYGJ-UHFFFAOYSA-N 2 2 191.238 0.465 10 0 ACAELP CC[NH2+]C[C@@H](C)[N@H+](C)CC 52445808 572351325 /nfs/dbraw/zinc/35/13/25/572351325.db2.gz ZBMVEQYCXVLCBC-MRVPVSSYSA-N 2 2 144.262 0.936 10 0 ACAELP CC[NH2+]C[C@@H](C)[N@@H+](C)CC 52445808 572351329 /nfs/dbraw/zinc/35/13/29/572351329.db2.gz ZBMVEQYCXVLCBC-MRVPVSSYSA-N 2 2 144.262 0.936 10 0 ACAELP CC[NH2+]C[C@H](C)[N@H+](C)CC 52445811 572351645 /nfs/dbraw/zinc/35/16/45/572351645.db2.gz ZBMVEQYCXVLCBC-QMMMGPOBSA-N 2 2 144.262 0.936 10 0 ACAELP C[NH2+][C@]1(CCO)CC[N@@H+](C2CC2)C1 83616991 572351893 /nfs/dbraw/zinc/35/18/93/572351893.db2.gz KTZLCWSZFRFJAN-JTQLQIEISA-N 2 2 184.283 0.195 10 0 ACAELP C[NH2+][C@]1(CCO)CC[N@H+](C2CC2)C1 83616991 572351899 /nfs/dbraw/zinc/35/18/99/572351899.db2.gz KTZLCWSZFRFJAN-JTQLQIEISA-N 2 2 184.283 0.195 10 0 ACAELP CCC[NH2+][C@]1(CCO)CC[N@H+](C)C1 83616494 572352330 /nfs/dbraw/zinc/35/23/30/572352330.db2.gz AIGWFOTWXVSULC-JTQLQIEISA-N 2 2 186.299 0.443 10 0 ACAELP CCC[NH2+][C@]1(CCO)CC[N@@H+](C)C1 83616494 572352331 /nfs/dbraw/zinc/35/23/31/572352331.db2.gz AIGWFOTWXVSULC-JTQLQIEISA-N 2 2 186.299 0.443 10 0 ACAELP C[NH2+][C@@]1(CCO)CC[N@@H+](C2CC2)C1 83616993 572352674 /nfs/dbraw/zinc/35/26/74/572352674.db2.gz KTZLCWSZFRFJAN-SNVBAGLBSA-N 2 2 184.283 0.195 10 0 ACAELP C[NH2+][C@@]1(CCO)CC[N@H+](C2CC2)C1 83616993 572352678 /nfs/dbraw/zinc/35/26/78/572352678.db2.gz KTZLCWSZFRFJAN-SNVBAGLBSA-N 2 2 184.283 0.195 10 0 ACAELP CCC[NH2+][C@@]1(CCO)CC[N@H+](C)C1 83616495 572353234 /nfs/dbraw/zinc/35/32/34/572353234.db2.gz AIGWFOTWXVSULC-SNVBAGLBSA-N 2 2 186.299 0.443 10 0 ACAELP CCC[NH2+][C@@]1(CCO)CC[N@@H+](C)C1 83616495 572353236 /nfs/dbraw/zinc/35/32/36/572353236.db2.gz AIGWFOTWXVSULC-SNVBAGLBSA-N 2 2 186.299 0.443 10 0 ACAELP [NH3+][C@H]1CC[N@H+](CCCOCC2CC2)C1 236334474 572353632 /nfs/dbraw/zinc/35/36/32/572353632.db2.gz WKHNEAIYVLJSNJ-NSHDSACASA-N 2 2 198.310 0.836 10 0 ACAELP [NH3+][C@H]1CC[N@@H+](CCCOCC2CC2)C1 236334474 572353649 /nfs/dbraw/zinc/35/36/49/572353649.db2.gz WKHNEAIYVLJSNJ-NSHDSACASA-N 2 2 198.310 0.836 10 0 ACAELP C[NH2+][C@@]1(CCO)CC[N@@H+](C(C)C)C1 83617118 572353820 /nfs/dbraw/zinc/35/38/20/572353820.db2.gz CTYHRFUIQGEWPN-SNVBAGLBSA-N 2 2 186.299 0.441 10 0 ACAELP C[NH2+][C@@]1(CCO)CC[N@H+](C(C)C)C1 83617118 572353822 /nfs/dbraw/zinc/35/38/22/572353822.db2.gz CTYHRFUIQGEWPN-SNVBAGLBSA-N 2 2 186.299 0.441 10 0 ACAELP CC1(C)CC[NH2+]C[N@@H+]1CCCC[NH3+] 238220083 572353996 /nfs/dbraw/zinc/35/39/96/572353996.db2.gz VISWGRIEEQZZIP-UHFFFAOYSA-N 3 2 185.315 0.757 10 0 ACAELP CC1(C)CC[NH2+]C[N@H+]1CCCC[NH3+] 238220083 572354000 /nfs/dbraw/zinc/35/40/00/572354000.db2.gz VISWGRIEEQZZIP-UHFFFAOYSA-N 3 2 185.315 0.757 10 0 ACAELP C[NH2+][C@]1(CCO)CC[N@@H+](C(C)C)C1 83617116 572354087 /nfs/dbraw/zinc/35/40/87/572354087.db2.gz CTYHRFUIQGEWPN-JTQLQIEISA-N 2 2 186.299 0.441 10 0 ACAELP C[NH2+][C@]1(CCO)CC[N@H+](C(C)C)C1 83617116 572354093 /nfs/dbraw/zinc/35/40/93/572354093.db2.gz CTYHRFUIQGEWPN-JTQLQIEISA-N 2 2 186.299 0.441 10 0 ACAELP C[C@@H]([NH3+])C(C)([C@@H](C)[NH3+])[C@@H](C)[NH3+] 140960220 572354115 /nfs/dbraw/zinc/35/41/15/572354115.db2.gz PNXOJAAHKLDNJW-FSDSQADBSA-N 3 2 159.277 0.034 10 0 ACAELP CC[N@H+]([C@@H](C)C[NH2+]C)[C@@H](C)COC 52504687 572354273 /nfs/dbraw/zinc/35/42/73/572354273.db2.gz KCSVABOQCURAGF-UWVGGRQHSA-N 2 2 188.315 0.951 10 0 ACAELP CC[N@@H+]([C@@H](C)C[NH2+]C)[C@@H](C)COC 52504687 572354278 /nfs/dbraw/zinc/35/42/78/572354278.db2.gz KCSVABOQCURAGF-UWVGGRQHSA-N 2 2 188.315 0.951 10 0 ACAELP CC[N@H+](CCOC)[C@@H](C)C[NH2+]C 52542609 572354444 /nfs/dbraw/zinc/35/44/44/572354444.db2.gz VELKESMSUQNCGJ-VIFPVBQESA-N 2 2 174.288 0.563 10 0 ACAELP CC[N@@H+](CCOC)[C@@H](C)C[NH2+]C 52542609 572354450 /nfs/dbraw/zinc/35/44/50/572354450.db2.gz VELKESMSUQNCGJ-VIFPVBQESA-N 2 2 174.288 0.563 10 0 ACAELP CC1(C)CC[N@H+](CCCC[NH3+])C[NH2+]1 238219612 572354557 /nfs/dbraw/zinc/35/45/57/572354557.db2.gz KCCDZMVWMKZAJO-UHFFFAOYSA-N 3 2 185.315 0.757 10 0 ACAELP CC1(C)CC[N@@H+](CCCC[NH3+])C[NH2+]1 238219612 572354560 /nfs/dbraw/zinc/35/45/60/572354560.db2.gz KCCDZMVWMKZAJO-UHFFFAOYSA-N 3 2 185.315 0.757 10 0 ACAELP CC[NH2+][C@@]1(CCO)CC[N@@H+](C2CC2)C1 83617424 572354612 /nfs/dbraw/zinc/35/46/12/572354612.db2.gz POKZZDSIQVGPIS-LLVKDONJSA-N 2 2 198.310 0.585 10 0 ACAELP CC[NH2+][C@@]1(CCO)CC[N@H+](C2CC2)C1 83617424 572354615 /nfs/dbraw/zinc/35/46/15/572354615.db2.gz POKZZDSIQVGPIS-LLVKDONJSA-N 2 2 198.310 0.585 10 0 ACAELP CCOCC[N@@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87041994 572356037 /nfs/dbraw/zinc/35/60/37/572356037.db2.gz 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C[N@@H+](CC[NH3+])CC1(O)CCCC1 83587531 572356075 /nfs/dbraw/zinc/35/60/75/572356075.db2.gz ZOIHNLNNZYYJSC-UHFFFAOYSA-N 2 2 172.272 0.182 10 0 ACAELP C[C@H]([NH3+])C(C)([C@H](C)[NH3+])[C@@H](C)[NH3+] 140960409 572356721 /nfs/dbraw/zinc/35/67/21/572356721.db2.gz PNXOJAAHKLDNJW-LYFYHCNISA-N 3 2 159.277 0.034 10 0 ACAELP CCOCC[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 87041995 572356904 /nfs/dbraw/zinc/35/69/04/572356904.db2.gz OFVDQRJADSJWDJ-UWVGGRQHSA-N 2 2 186.299 0.692 10 0 ACAELP CCOCC[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 87041995 572356908 /nfs/dbraw/zinc/35/69/08/572356908.db2.gz OFVDQRJADSJWDJ-UWVGGRQHSA-N 2 2 186.299 0.692 10 0 ACAELP [NH3+][C@H](CCCO)[C@H]([NH3+])c1ccccc1 238664819 572357262 /nfs/dbraw/zinc/35/72/62/572357262.db2.gz CODKSLSVXLYPID-GHMZBOCLSA-N 2 2 194.278 0.786 10 0 ACAELP NC(=[NH2+])SCCCn1cc[nH+]c1 83589076 572357356 /nfs/dbraw/zinc/35/73/56/572357356.db2.gz QFQBORPPHNIDIR-UHFFFAOYSA-N 2 2 184.268 0.900 10 0 ACAELP CC[NH2+][C@]1(CCO)CC[N@H+](C)C1 83617421 572357385 /nfs/dbraw/zinc/35/73/85/572357385.db2.gz KBOCIYYSODVAKT-VIFPVBQESA-N 2 2 172.272 0.053 10 0 ACAELP CC[NH2+][C@]1(CCO)CC[N@@H+](C)C1 83617421 572357389 /nfs/dbraw/zinc/35/73/89/572357389.db2.gz KBOCIYYSODVAKT-VIFPVBQESA-N 2 2 172.272 0.053 10 0 ACAELP [NH3+][C@@H](c1ccccc1)[C@H]([NH3+])CCCO 238664757 572357550 /nfs/dbraw/zinc/35/75/50/572357550.db2.gz CODKSLSVXLYPID-MNOVXSKESA-N 2 2 194.278 0.786 10 0 ACAELP CC[NH2+][C@@]1(CCO)CC[N@H+](C)C1 83617422 572357981 /nfs/dbraw/zinc/35/79/81/572357981.db2.gz KBOCIYYSODVAKT-SECBINFHSA-N 2 2 172.272 0.053 10 0 ACAELP CC[NH2+][C@@]1(CCO)CC[N@@H+](C)C1 83617422 572357983 /nfs/dbraw/zinc/35/79/83/572357983.db2.gz KBOCIYYSODVAKT-SECBINFHSA-N 2 2 172.272 0.053 10 0 ACAELP C[N@@H+]1CC[C@H]2[NH2+]C(C)(C)C[C@@H]21 76590322 572358308 /nfs/dbraw/zinc/35/83/08/572358308.db2.gz LQTAKEPFXUKKAO-SFYZADRCSA-N 2 2 154.257 0.831 10 0 ACAELP C[N@H+]1CC[C@H]2[NH2+]C(C)(C)C[C@@H]21 76590322 572358311 /nfs/dbraw/zinc/35/83/11/572358311.db2.gz 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CCOC[N@H+]1CCC[C@@H](C[NH2+]C)C1 83756586 572390441 /nfs/dbraw/zinc/39/04/41/572390441.db2.gz LMDVYILEIUPGFL-JTQLQIEISA-N 2 2 186.299 0.912 10 0 ACAELP CCOC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 83756586 572390438 /nfs/dbraw/zinc/39/04/38/572390438.db2.gz LMDVYILEIUPGFL-JTQLQIEISA-N 2 2 186.299 0.912 10 0 ACAELP CC[C@H]([NH3+])CC[NH+]1CC(OC)C1 308007642 572391469 /nfs/dbraw/zinc/39/14/69/572391469.db2.gz DVGYKTZAVQVYGV-QMMMGPOBSA-N 2 2 172.272 0.444 10 0 ACAELP CCOCn1cc[nH+]c1C[C@@H](C)[NH3+] 83756552 572390547 /nfs/dbraw/zinc/39/05/47/572390547.db2.gz NOQCPKGZRUSUIZ-MRVPVSSYSA-N 2 2 183.255 0.767 10 0 ACAELP C[N@@H+]1CCCC[C@@H]1CC[NH2+]C1COC1 87195344 572391126 /nfs/dbraw/zinc/39/11/26/572391126.db2.gz VAWNLPIUAZRWKO-LLVKDONJSA-N 2 2 198.310 0.849 10 0 ACAELP C[N@H+]1CCCC[C@@H]1CC[NH2+]C1COC1 87195344 572391130 /nfs/dbraw/zinc/39/11/30/572391130.db2.gz VAWNLPIUAZRWKO-LLVKDONJSA-N 2 2 198.310 0.849 10 0 ACAELP CCOC[N@H+]1CCC[C@H](C[NH3+])C1 83756573 572391300 /nfs/dbraw/zinc/39/13/00/572391300.db2.gz CVKVEKZOGMWZFW-SECBINFHSA-N 2 2 172.272 0.651 10 0 ACAELP C[NH2+]C[C@@H]1CCC[N@H+](COC)C1 83755750 572391584 /nfs/dbraw/zinc/39/15/84/572391584.db2.gz PWHROFVGOTWKDQ-VIFPVBQESA-N 2 2 172.272 0.522 10 0 ACAELP C[NH2+]C[C@@H]1CCC[N@@H+](COC)C1 83755750 572391587 /nfs/dbraw/zinc/39/15/87/572391587.db2.gz PWHROFVGOTWKDQ-VIFPVBQESA-N 2 2 172.272 0.522 10 0 ACAELP CC[N@H+](C[C@H](C)[NH3+])[C@@H]1CCOC1 308006777 572391683 /nfs/dbraw/zinc/39/16/83/572391683.db2.gz DMVJTCZWSIOJEF-DTWKUNHWSA-N 2 2 172.272 0.444 10 0 ACAELP CC[N@@H+](C[C@H](C)[NH3+])[C@@H]1CCOC1 308006777 572391687 /nfs/dbraw/zinc/39/16/87/572391687.db2.gz DMVJTCZWSIOJEF-DTWKUNHWSA-N 2 2 172.272 0.444 10 0 ACAELP CC[C@H]([NH3+])Cc1[nH+]ccn1COC 83755717 572391783 /nfs/dbraw/zinc/39/17/83/572391783.db2.gz ROWZPUWUIGMZPT-QMMMGPOBSA-N 2 2 183.255 0.767 10 0 ACAELP CCOC[N@@H+]1CCC[C@H](C[NH2+]C)C1 83756585 572391820 /nfs/dbraw/zinc/39/18/20/572391820.db2.gz LMDVYILEIUPGFL-SNVBAGLBSA-N 2 2 186.299 0.912 10 0 ACAELP CCOC[N@H+]1CCC[C@H](C[NH2+]C)C1 83756585 572391823 /nfs/dbraw/zinc/39/18/23/572391823.db2.gz LMDVYILEIUPGFL-SNVBAGLBSA-N 2 2 186.299 0.912 10 0 ACAELP CC[C@@H]([NH3+])CC[NH+]1CC(OC)C1 308007640 572392960 /nfs/dbraw/zinc/39/29/60/572392960.db2.gz DVGYKTZAVQVYGV-MRVPVSSYSA-N 2 2 172.272 0.444 10 0 ACAELP CC[N@H+](C[C@@H](C)[NH3+])[C@@H]1CCOC1 308006789 572392964 /nfs/dbraw/zinc/39/29/64/572392964.db2.gz DMVJTCZWSIOJEF-RKDXNWHRSA-N 2 2 172.272 0.444 10 0 ACAELP CC[N@@H+](C[C@@H](C)[NH3+])[C@@H]1CCOC1 308006789 572392966 /nfs/dbraw/zinc/39/29/66/572392966.db2.gz DMVJTCZWSIOJEF-RKDXNWHRSA-N 2 2 172.272 0.444 10 0 ACAELP C[NH2+]C[C@H]1CCC[N@H+](COC)C1 83755751 572392170 /nfs/dbraw/zinc/39/21/70/572392170.db2.gz PWHROFVGOTWKDQ-SECBINFHSA-N 2 2 172.272 0.522 10 0 ACAELP C[NH2+]C[C@H]1CCC[N@@H+](COC)C1 83755751 572392175 /nfs/dbraw/zinc/39/21/75/572392175.db2.gz PWHROFVGOTWKDQ-SECBINFHSA-N 2 2 172.272 0.522 10 0 ACAELP CC[N@H+](C[C@H](C)[NH3+])[C@H]1CCOC1 308006783 572392573 /nfs/dbraw/zinc/39/25/73/572392573.db2.gz DMVJTCZWSIOJEF-IUCAKERBSA-N 2 2 172.272 0.444 10 0 ACAELP CC[N@@H+](C[C@H](C)[NH3+])[C@H]1CCOC1 308006783 572392580 /nfs/dbraw/zinc/39/25/80/572392580.db2.gz DMVJTCZWSIOJEF-IUCAKERBSA-N 2 2 172.272 0.444 10 0 ACAELP CC[N@H+](C[C@@H](C)[NH3+])[C@H]1CCOC1 308006770 572392625 /nfs/dbraw/zinc/39/26/25/572392625.db2.gz DMVJTCZWSIOJEF-BDAKNGLRSA-N 2 2 172.272 0.444 10 0 ACAELP CC[N@@H+](C[C@@H](C)[NH3+])[C@H]1CCOC1 308006770 572392627 /nfs/dbraw/zinc/39/26/27/572392627.db2.gz DMVJTCZWSIOJEF-BDAKNGLRSA-N 2 2 172.272 0.444 10 0 ACAELP CCOC[N@H+]1CCC[C@@H](C[NH3+])C1 83756574 572392667 /nfs/dbraw/zinc/39/26/67/572392667.db2.gz CVKVEKZOGMWZFW-VIFPVBQESA-N 2 2 172.272 0.651 10 0 ACAELP CC[C@H](C)[NH2+][C@H](C[NH3+])c1cnn(C)c1 83760351 572393178 /nfs/dbraw/zinc/39/31/78/572393178.db2.gz YMMOWAASANOPOK-WCBMZHEXSA-N 2 2 196.298 0.808 10 0 ACAELP [NH3+]C[C@H](Cc1ccccc1)[NH2+]CCO 83758068 572393246 /nfs/dbraw/zinc/39/32/46/572393246.db2.gz JNXARVGYTMECKT-NSHDSACASA-N 2 2 194.278 0.138 10 0 ACAELP CC[C@H](C)[NH2+][C@H](C[NH3+])c1ccncn1 83760918 572393710 /nfs/dbraw/zinc/39/37/10/572393710.db2.gz JLZAWUPQYHKKMN-WCBMZHEXSA-N 2 2 194.282 0.865 10 0 ACAELP [NH3+]C[C@@H]([NH2+]CCO)c1cccc(F)c1 83758365 572394003 /nfs/dbraw/zinc/39/40/03/572394003.db2.gz RNUGXIRKYKAVEB-SNVBAGLBSA-N 2 2 198.241 0.407 10 0 ACAELP [NH3+]C[C@H]([NH2+]CCO)c1cccs1 83758055 572394055 /nfs/dbraw/zinc/39/40/55/572394055.db2.gz SLTZYSFOEIXVDF-ZETCQYMHSA-N 2 2 186.280 0.330 10 0 ACAELP c1cn(CCC[NH2+]C2COC2)c[nH+]1 87195408 572394119 /nfs/dbraw/zinc/39/41/19/572394119.db2.gz HTWAICAABNDFJP-UHFFFAOYSA-N 2 2 181.239 0.262 10 0 ACAELP Cc1ccc([C@H](C[NH3+])[NH2+]CCO)cc1 83758208 572394777 /nfs/dbraw/zinc/39/47/77/572394777.db2.gz PNFMPJQMGIENIU-NSHDSACASA-N 2 2 194.278 0.577 10 0 ACAELP CC[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccncn1 83760913 572394864 /nfs/dbraw/zinc/39/48/64/572394864.db2.gz JLZAWUPQYHKKMN-SCZZXKLOSA-N 2 2 194.282 0.865 10 0 ACAELP [NH3+]C[C@@H]([NH2+]CCO)c1ccc(F)cc1 83758363 572395102 /nfs/dbraw/zinc/39/51/02/572395102.db2.gz APHHCAVBYXPUEV-SNVBAGLBSA-N 2 2 198.241 0.407 10 0 ACAELP FCCC[NH2+]C[C@@H]1CSCC[NH2+]1 308008811 572395155 /nfs/dbraw/zinc/39/51/55/572395155.db2.gz OCDWBGGXFGASLI-MRVPVSSYSA-N 2 2 192.303 0.641 10 0 ACAELP Cc1cccc([C@H](C[NH3+])[NH2+]CCO)c1 83758251 572395199 /nfs/dbraw/zinc/39/51/99/572395199.db2.gz XFBAWQXVGDJTRZ-NSHDSACASA-N 2 2 194.278 0.577 10 0 ACAELP [NH3+]C[C@H]([NH2+]CCO)c1ccsc1 83758429 572395215 /nfs/dbraw/zinc/39/52/15/572395215.db2.gz WJWWBKQKAOASES-QMMMGPOBSA-N 2 2 186.280 0.330 10 0 ACAELP [NH3+]C[C@@H]([NH2+]CCO)c1cccs1 83758054 572395282 /nfs/dbraw/zinc/39/52/82/572395282.db2.gz SLTZYSFOEIXVDF-SSDOTTSWSA-N 2 2 186.280 0.330 10 0 ACAELP [NH3+]C[C@H]([NH2+]CCO)c1cccc(F)c1 83758366 572395293 /nfs/dbraw/zinc/39/52/93/572395293.db2.gz RNUGXIRKYKAVEB-JTQLQIEISA-N 2 2 198.241 0.407 10 0 ACAELP [NH3+]CCc1c[nH+]cn1-c1cc[nH]n1 76602099 572395598 /nfs/dbraw/zinc/39/55/98/572395598.db2.gz KLDFSYHOZXUWKM-UHFFFAOYSA-N 2 2 177.211 0.097 10 0 ACAELP Cc1cccc([C@@H](C[NH3+])[NH2+]CCO)c1 83758250 572395727 /nfs/dbraw/zinc/39/57/27/572395727.db2.gz XFBAWQXVGDJTRZ-LLVKDONJSA-N 2 2 194.278 0.577 10 0 ACAELP COCC[N@H+](C)[C@@H]1CC[NH2+][C@H]1C 308009103 572395749 /nfs/dbraw/zinc/39/57/49/572395749.db2.gz FIISQVQDEVJIQG-DTWKUNHWSA-N 2 2 172.272 0.315 10 0 ACAELP COCC[N@@H+](C)[C@@H]1CC[NH2+][C@H]1C 308009103 572395754 /nfs/dbraw/zinc/39/57/54/572395754.db2.gz FIISQVQDEVJIQG-DTWKUNHWSA-N 2 2 172.272 0.315 10 0 ACAELP CC[C@@H](C)[NH2+][C@@H](C[NH3+])c1cnn(C)c1 83760345 572395970 /nfs/dbraw/zinc/39/59/70/572395970.db2.gz YMMOWAASANOPOK-SCZZXKLOSA-N 2 2 196.298 0.808 10 0 ACAELP Cc1ccc([C@@H](C[NH3+])[NH2+]CCO)cc1 83758207 572396593 /nfs/dbraw/zinc/39/65/93/572396593.db2.gz PNFMPJQMGIENIU-LLVKDONJSA-N 2 2 194.278 0.577 10 0 ACAELP Cc1ccccc1[C@H](C[NH3+])[NH2+]CCO 83758063 572396722 /nfs/dbraw/zinc/39/67/22/572396722.db2.gz JCUOEXJAMBVEOS-NSHDSACASA-N 2 2 194.278 0.577 10 0 ACAELP [NH3+]C[C@H]([NH2+]CCO)c1ccc(F)cc1 83758364 572396743 /nfs/dbraw/zinc/39/67/43/572396743.db2.gz APHHCAVBYXPUEV-JTQLQIEISA-N 2 2 198.241 0.407 10 0 ACAELP CC[C@@H]([NH3+])C[N@H+](C)C[C@@H](C)OC 308008518 572396910 /nfs/dbraw/zinc/39/69/10/572396910.db2.gz FCRNVUAJQZYEKM-RKDXNWHRSA-N 2 2 174.288 0.690 10 0 ACAELP CC[C@@H]([NH3+])C[N@@H+](C)C[C@@H](C)OC 308008518 572396918 /nfs/dbraw/zinc/39/69/18/572396918.db2.gz FCRNVUAJQZYEKM-RKDXNWHRSA-N 2 2 174.288 0.690 10 0 ACAELP Cc1ccccc1[C@@H](C[NH3+])[NH2+]CCO 83758062 572396954 /nfs/dbraw/zinc/39/69/54/572396954.db2.gz JCUOEXJAMBVEOS-LLVKDONJSA-N 2 2 194.278 0.577 10 0 ACAELP FCCC[NH2+]C[C@H]1CSCC[NH2+]1 308008816 572397101 /nfs/dbraw/zinc/39/71/01/572397101.db2.gz OCDWBGGXFGASLI-QMMMGPOBSA-N 2 2 192.303 0.641 10 0 ACAELP CC[C@H](C)[NH2+][C@@H](C[NH3+])c1cnn(C)c1 83760347 572397176 /nfs/dbraw/zinc/39/71/76/572397176.db2.gz YMMOWAASANOPOK-WPRPVWTQSA-N 2 2 196.298 0.808 10 0 ACAELP [NH3+]C[C@@H](Cc1ccccc1)[NH2+]CCO 83758069 572397231 /nfs/dbraw/zinc/39/72/31/572397231.db2.gz JNXARVGYTMECKT-LLVKDONJSA-N 2 2 194.278 0.138 10 0 ACAELP CC[C@H]([NH3+])C[N@H+](C)C[C@H](C)OC 308008506 572397272 /nfs/dbraw/zinc/39/72/72/572397272.db2.gz FCRNVUAJQZYEKM-IUCAKERBSA-N 2 2 174.288 0.690 10 0 ACAELP CC[C@H]([NH3+])C[N@@H+](C)C[C@H](C)OC 308008506 572397274 /nfs/dbraw/zinc/39/72/74/572397274.db2.gz FCRNVUAJQZYEKM-IUCAKERBSA-N 2 2 174.288 0.690 10 0 ACAELP CC[C@@H](C)[NH2+][C@H](C[NH3+])c1cnn(C)c1 83760349 572397354 /nfs/dbraw/zinc/39/73/54/572397354.db2.gz YMMOWAASANOPOK-PSASIEDQSA-N 2 2 196.298 0.808 10 0 ACAELP [NH3+]C[C@H]([NH2+]CCO)c1ccccc1 83758173 572397820 /nfs/dbraw/zinc/39/78/20/572397820.db2.gz KWBZLRRBUCUUND-JTQLQIEISA-N 2 2 180.251 0.268 10 0 ACAELP CC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccncn1 83760916 572397989 /nfs/dbraw/zinc/39/79/89/572397989.db2.gz JLZAWUPQYHKKMN-PSASIEDQSA-N 2 2 194.282 0.865 10 0 ACAELP [NH3+]C[C@@H]([NH2+]CCO)c1ccsc1 83758428 572398104 /nfs/dbraw/zinc/39/81/04/572398104.db2.gz WJWWBKQKAOASES-MRVPVSSYSA-N 2 2 186.280 0.330 10 0 ACAELP OC[C@H](Cc1c[nH]c[nH+]1)[NH2+]CC1CC1 238702836 572398376 /nfs/dbraw/zinc/39/83/76/572398376.db2.gz BADSIIOCQRSLLQ-JTQLQIEISA-N 2 2 195.266 0.313 10 0 ACAELP OC[C@H](Cc1c[nH+]c[nH]1)[NH2+]CC1CC1 238702836 572398380 /nfs/dbraw/zinc/39/83/80/572398380.db2.gz BADSIIOCQRSLLQ-JTQLQIEISA-N 2 2 195.266 0.313 10 0 ACAELP C[C@H]1CCC[C@@]1(C[NH3+])[NH2+]CCN(C)C 83762920 572398717 /nfs/dbraw/zinc/39/87/17/572398717.db2.gz SWTUEWOMCSNAPF-QWRGUYRKSA-N 2 2 199.342 0.655 10 0 ACAELP C[C@H]1CC[C@](C[NH3+])([NH2+]CCN(C)C)C1 83763159 572398754 /nfs/dbraw/zinc/39/87/54/572398754.db2.gz LVBKMJRPTQJUSN-QWRGUYRKSA-N 2 2 199.342 0.655 10 0 ACAELP CC[C@](C[NH3+])([NH2+]CCN(C)C)C1CC1 83762983 572398834 /nfs/dbraw/zinc/39/88/34/572398834.db2.gz QBTMGSRTUGSNQT-LLVKDONJSA-N 2 2 199.342 0.655 10 0 ACAELP [NH3+]C[C@@H]([NH2+]CCCO)c1cccnc1 83775242 572398901 /nfs/dbraw/zinc/39/89/01/572398901.db2.gz AHLFPESVXFUTJR-SNVBAGLBSA-N 2 2 195.266 0.053 10 0 ACAELP CC(C)C[C@@H](C[NH3+])[NH2+]CCN(C)C 83763166 572399115 /nfs/dbraw/zinc/39/91/15/572399115.db2.gz CPPHSSKGSFZILR-JTQLQIEISA-N 2 2 187.331 0.511 10 0 ACAELP [NH3+]C[C@@H]([NH2+]CC1CC1)c1ccncn1 83763736 572399126 /nfs/dbraw/zinc/39/91/26/572399126.db2.gz RREXUMRBKOQLGS-SNVBAGLBSA-N 2 2 192.266 0.476 10 0 ACAELP CC(C)C[NH2+]C1(C[NH3+])CC[NH+](C)CC1 83761552 572399169 /nfs/dbraw/zinc/39/91/69/572399169.db2.gz NRCDNRGHRRLQDR-UHFFFAOYSA-N 3 2 199.342 0.655 10 0 ACAELP [NH3+]C[C@H]([NH2+]CCCO)c1cccnc1 83775243 572399193 /nfs/dbraw/zinc/39/91/93/572399193.db2.gz AHLFPESVXFUTJR-JTQLQIEISA-N 2 2 195.266 0.053 10 0 ACAELP CCC(CC)(C[NH3+])[NH2+]CCN(C)C 83763107 572399247 /nfs/dbraw/zinc/39/92/47/572399247.db2.gz CGOMAPRYSKWHOR-UHFFFAOYSA-N 2 2 187.331 0.655 10 0 ACAELP CN(C)CC[NH2+]C1(C[NH3+])CCCC1 83763320 572399424 /nfs/dbraw/zinc/39/94/24/572399424.db2.gz UHGRJFJRXMJONF-UHFFFAOYSA-N 2 2 185.315 0.409 10 0 ACAELP CC[C@@](C[NH3+])([NH2+]CCN(C)C)C1CC1 83762985 572399548 /nfs/dbraw/zinc/39/95/48/572399548.db2.gz QBTMGSRTUGSNQT-NSHDSACASA-N 2 2 199.342 0.655 10 0 ACAELP C[C@@H]1CCC[C@]1(C[NH3+])[NH2+]CCN(C)C 83762922 572399603 /nfs/dbraw/zinc/39/96/03/572399603.db2.gz SWTUEWOMCSNAPF-GHMZBOCLSA-N 2 2 199.342 0.655 10 0 ACAELP CC(C)[C@H](C[NH3+])[NH2+]CCN(C)C 83763174 572399740 /nfs/dbraw/zinc/39/97/40/572399740.db2.gz ZVSHIXLCSKWVRF-VIFPVBQESA-N 2 2 173.304 0.121 10 0 ACAELP CN(C)CC[NH2+][C@@](C)(C[NH3+])C1CC1 83763120 572399831 /nfs/dbraw/zinc/39/98/31/572399831.db2.gz YXYSABCRDNVMOM-JTQLQIEISA-N 2 2 185.315 0.265 10 0 ACAELP CC[C@@H](C)[C@@H](C[NH3+])[NH2+]CCN(C)C 83763266 572399871 /nfs/dbraw/zinc/39/98/71/572399871.db2.gz GSBILQPDQBAKCV-NXEZZACHSA-N 2 2 187.331 0.511 10 0 ACAELP CN(C)CC[NH2+][C@H](C[NH3+])C1CCCC1 83762956 572399986 /nfs/dbraw/zinc/39/99/86/572399986.db2.gz SUYPUDOYZQKXND-LLVKDONJSA-N 2 2 199.342 0.655 10 0 ACAELP CN(C)CC[NH2+]C1(C[NH3+])CCCCC1 83762867 572399935 /nfs/dbraw/zinc/39/99/35/572399935.db2.gz KPKBPCVOULNHQI-UHFFFAOYSA-N 2 2 199.342 0.799 10 0 ACAELP CC(C)C[C@H](C[NH3+])[NH2+]CCN(C)C 83763171 572400075 /nfs/dbraw/zinc/40/00/75/572400075.db2.gz CPPHSSKGSFZILR-SNVBAGLBSA-N 2 2 187.331 0.511 10 0 ACAELP CN(C)CC[NH2+][C@@H](C[NH3+])C(C)(C)C 83762951 572400306 /nfs/dbraw/zinc/40/03/06/572400306.db2.gz AAOHGKOSFVTFJO-VIFPVBQESA-N 2 2 187.331 0.511 10 0 ACAELP CC(C)[C@](C)(C[NH3+])[NH2+]CCN(C)C 83763073 572400496 /nfs/dbraw/zinc/40/04/96/572400496.db2.gz UZMZRSUJGASIJN-JTQLQIEISA-N 2 2 187.331 0.511 10 0 ACAELP [NH3+]CCc1c[nH+]cn1-c1ccon1 76602562 572400610 /nfs/dbraw/zinc/40/06/10/572400610.db2.gz XIBAQVMAGBWWBO-UHFFFAOYSA-N 2 2 178.195 0.362 10 0 ACAELP CCC[C@](C)(C[NH3+])[NH2+]CCN(C)C 83763064 572400625 /nfs/dbraw/zinc/40/06/25/572400625.db2.gz AIDHDOGGSHBLJU-SNVBAGLBSA-N 2 2 187.331 0.655 10 0 ACAELP CC(C)C[NH2+][C@@H](C[NH3+])c1ccncn1 83761758 572400877 /nfs/dbraw/zinc/40/08/77/572400877.db2.gz UJEJGXJEIOOBNI-JTQLQIEISA-N 2 2 194.282 0.722 10 0 ACAELP CN(C)CC[NH2+][C@](C)(C[NH3+])C1CC1 83763118 572401220 /nfs/dbraw/zinc/40/12/20/572401220.db2.gz YXYSABCRDNVMOM-SNVBAGLBSA-N 2 2 185.315 0.265 10 0 ACAELP CC[C@@H](C)[C@H](C[NH3+])[NH2+]CCN(C)C 83763270 572401270 /nfs/dbraw/zinc/40/12/70/572401270.db2.gz GSBILQPDQBAKCV-ZJUUUORDSA-N 2 2 187.331 0.511 10 0 ACAELP [NH3+]CCc1c[nH+]cn1-c1ncco1 76602565 572401397 /nfs/dbraw/zinc/40/13/97/572401397.db2.gz VNRFTMBDQSAAAB-UHFFFAOYSA-N 2 2 178.195 0.362 10 0 ACAELP C[C@@H]1CCC[C@@]1(C[NH3+])[NH2+]CCN(C)C 83762916 572401583 /nfs/dbraw/zinc/40/15/83/572401583.db2.gz SWTUEWOMCSNAPF-MNOVXSKESA-N 2 2 199.342 0.655 10 0 ACAELP CN(C)CC[NH2+][C@H](C[NH3+])C(C)(C)C 83762949 572401705 /nfs/dbraw/zinc/40/17/05/572401705.db2.gz AAOHGKOSFVTFJO-SECBINFHSA-N 2 2 187.331 0.511 10 0 ACAELP CC(C)[C@@H](C[NH3+])[NH2+]CCN(C)C 83763173 572401727 /nfs/dbraw/zinc/40/17/27/572401727.db2.gz ZVSHIXLCSKWVRF-SECBINFHSA-N 2 2 173.304 0.121 10 0 ACAELP [NH3+]CCc1c[nH+]cn1-c1cnco1 76602558 572401800 /nfs/dbraw/zinc/40/18/00/572401800.db2.gz PHSXDBOWBFRNND-UHFFFAOYSA-N 2 2 178.195 0.362 10 0 ACAELP C[C@@H]1CC[C@@](C[NH3+])([NH2+]CCN(C)C)C1 83763151 572401812 /nfs/dbraw/zinc/40/18/12/572401812.db2.gz LVBKMJRPTQJUSN-GHMZBOCLSA-N 2 2 199.342 0.655 10 0 ACAELP CC[C@@](C)(C[NH3+])[NH2+]CCN(C)C 83763176 572401908 /nfs/dbraw/zinc/40/19/08/572401908.db2.gz RRZCOGHSHVQQFG-VIFPVBQESA-N 2 2 173.304 0.265 10 0 ACAELP CC(C)C[NH2+][C@H](C[NH3+])c1ccncn1 83761760 572401937 /nfs/dbraw/zinc/40/19/37/572401937.db2.gz UJEJGXJEIOOBNI-SNVBAGLBSA-N 2 2 194.282 0.722 10 0 ACAELP CCC[N@H+](C)CC[NH2+]CC 44380740 572408265 /nfs/dbraw/zinc/40/82/65/572408265.db2.gz XXEFQXVRUXNVIK-UHFFFAOYSA-N 2 2 144.262 0.938 10 0 ACAELP C[C@@H]1CC[C@](C[NH3+])([NH2+]CCN(C)C)C1 83763157 572402341 /nfs/dbraw/zinc/40/23/41/572402341.db2.gz LVBKMJRPTQJUSN-MNOVXSKESA-N 2 2 199.342 0.655 10 0 ACAELP CC(C)C[NH2+][C@H](C[NH3+])c1cnn(C)c1 83761414 572402397 /nfs/dbraw/zinc/40/23/97/572402397.db2.gz DPTHUSQXYFPSPG-SNVBAGLBSA-N 2 2 196.298 0.666 10 0 ACAELP CN(C)CC[NH2+][C@@H](C[NH3+])C1CCCC1 83762954 572402408 /nfs/dbraw/zinc/40/24/08/572402408.db2.gz SUYPUDOYZQKXND-NSHDSACASA-N 2 2 199.342 0.655 10 0 ACAELP CCC[C@@](C)(C[NH3+])[NH2+]CCN(C)C 83763062 572402837 /nfs/dbraw/zinc/40/28/37/572402837.db2.gz AIDHDOGGSHBLJU-JTQLQIEISA-N 2 2 187.331 0.655 10 0 ACAELP CC1(C)C[NH2+]C[N@H+](CCCC[NH3+])C1 238230513 572402916 /nfs/dbraw/zinc/40/29/16/572402916.db2.gz XWRAUSNALRMRIF-UHFFFAOYSA-N 3 2 185.315 0.614 10 0 ACAELP CC1(C)C[NH2+]C[N@@H+](CCCC[NH3+])C1 238230513 572402918 /nfs/dbraw/zinc/40/29/18/572402918.db2.gz XWRAUSNALRMRIF-UHFFFAOYSA-N 3 2 185.315 0.614 10 0 ACAELP Cn1cc([C@H](C[NH3+])[NH2+]CC2CC2)cn1 83763393 572402935 /nfs/dbraw/zinc/40/29/35/572402935.db2.gz NEYRVJQXGPCJNT-JTQLQIEISA-N 2 2 194.282 0.420 10 0 ACAELP Cn1cc([C@@H](C[NH3+])[NH2+]CC2CC2)cn1 83763391 572403119 /nfs/dbraw/zinc/40/31/19/572403119.db2.gz NEYRVJQXGPCJNT-SNVBAGLBSA-N 2 2 194.282 0.420 10 0 ACAELP CC[C@H](C)[C@@H](C[NH3+])[NH2+]CCN(C)C 83763268 572403133 /nfs/dbraw/zinc/40/31/33/572403133.db2.gz GSBILQPDQBAKCV-VHSXEESVSA-N 2 2 187.331 0.511 10 0 ACAELP [NH3+]C[C@H]([NH2+]CC1CC1)c1ccncn1 83763738 572403152 /nfs/dbraw/zinc/40/31/52/572403152.db2.gz RREXUMRBKOQLGS-JTQLQIEISA-N 2 2 192.266 0.476 10 0 ACAELP C[C@H]1CCC[C@]1(C[NH3+])[NH2+]CCN(C)C 83762924 572403294 /nfs/dbraw/zinc/40/32/94/572403294.db2.gz SWTUEWOMCSNAPF-WDEREUQCSA-N 2 2 199.342 0.655 10 0 ACAELP CC[C@H](C)[C@H](C[NH3+])[NH2+]CCN(C)C 83763271 572403344 /nfs/dbraw/zinc/40/33/44/572403344.db2.gz GSBILQPDQBAKCV-UWVGGRQHSA-N 2 2 187.331 0.511 10 0 ACAELP CC[C@](C)(C[NH3+])[NH2+]CCN(C)C 83763178 572403321 /nfs/dbraw/zinc/40/33/21/572403321.db2.gz RRZCOGHSHVQQFG-SECBINFHSA-N 2 2 173.304 0.265 10 0 ACAELP C[C@H]1CC[C@@](C[NH3+])([NH2+]CCN(C)C)C1 83763155 572403417 /nfs/dbraw/zinc/40/34/17/572403417.db2.gz LVBKMJRPTQJUSN-WDEREUQCSA-N 2 2 199.342 0.655 10 0 ACAELP CC(C)C[NH2+][C@@H](C[NH3+])c1cnn(C)c1 83761412 572403509 /nfs/dbraw/zinc/40/35/09/572403509.db2.gz DPTHUSQXYFPSPG-JTQLQIEISA-N 2 2 196.298 0.666 10 0 ACAELP C[N@@H+]1CC[C@@]2(C[NH2+]CCCC2=O)C1 76607136 572404405 /nfs/dbraw/zinc/40/44/05/572404405.db2.gz QBTLEUVXNZOOPC-SNVBAGLBSA-N 2 2 182.267 0.261 10 0 ACAELP C[N@H+]1CC[C@@]2(C[NH2+]CCCC2=O)C1 76607136 572404410 /nfs/dbraw/zinc/40/44/10/572404410.db2.gz QBTLEUVXNZOOPC-SNVBAGLBSA-N 2 2 182.267 0.261 10 0 ACAELP [NH3+]C[C@@H]([NH2+]CCCO)c1ccoc1 83775458 572404609 /nfs/dbraw/zinc/40/46/09/572404609.db2.gz GQARMCMEQBFKOU-SECBINFHSA-N 2 2 184.239 0.251 10 0 ACAELP [NH3+]C[C@H]([NH2+]CCCO)c1ccoc1 83775459 572405633 /nfs/dbraw/zinc/40/56/33/572405633.db2.gz GQARMCMEQBFKOU-VIFPVBQESA-N 2 2 184.239 0.251 10 0 ACAELP C[N@@H+]1CC[C@]2(C[NH2+]CCCC2=O)C1 76607132 572405669 /nfs/dbraw/zinc/40/56/69/572405669.db2.gz QBTLEUVXNZOOPC-JTQLQIEISA-N 2 2 182.267 0.261 10 0 ACAELP C[N@H+]1CC[C@]2(C[NH2+]CCCC2=O)C1 76607132 572405672 /nfs/dbraw/zinc/40/56/72/572405672.db2.gz QBTLEUVXNZOOPC-JTQLQIEISA-N 2 2 182.267 0.261 10 0 ACAELP C[N@@H+]1CC[C@@]2(CCC[NH2+]C2)C(=O)C1 76607089 572405972 /nfs/dbraw/zinc/40/59/72/572405972.db2.gz GLAZYHRPBNABNC-SNVBAGLBSA-N 2 2 182.267 0.261 10 0 ACAELP C[N@H+]1CC[C@@]2(CCC[NH2+]C2)C(=O)C1 76607089 572405978 /nfs/dbraw/zinc/40/59/78/572405978.db2.gz GLAZYHRPBNABNC-SNVBAGLBSA-N 2 2 182.267 0.261 10 0 ACAELP C[N@@H+]1CC[C@]2(CCC[NH2+]C2)C(=O)C1 76607093 572406623 /nfs/dbraw/zinc/40/66/23/572406623.db2.gz GLAZYHRPBNABNC-JTQLQIEISA-N 2 2 182.267 0.261 10 0 ACAELP C[N@H+]1CC[C@]2(CCC[NH2+]C2)C(=O)C1 76607093 572406630 /nfs/dbraw/zinc/40/66/30/572406630.db2.gz GLAZYHRPBNABNC-JTQLQIEISA-N 2 2 182.267 0.261 10 0 ACAELP C[N@@H+]1CCCC(=O)[C@]2(CC[NH2+]C2)C1 76607140 572406840 /nfs/dbraw/zinc/40/68/40/572406840.db2.gz UKROTHWPSSVNOX-JTQLQIEISA-N 2 2 182.267 0.261 10 0 ACAELP C[N@H+]1CCCC(=O)[C@]2(CC[NH2+]C2)C1 76607140 572406844 /nfs/dbraw/zinc/40/68/44/572406844.db2.gz UKROTHWPSSVNOX-JTQLQIEISA-N 2 2 182.267 0.261 10 0 ACAELP C[N@H+]1CCCC(=O)[C@@]2(CC[NH2+]C2)C1 76607143 572407242 /nfs/dbraw/zinc/40/72/42/572407242.db2.gz UKROTHWPSSVNOX-SNVBAGLBSA-N 2 2 182.267 0.261 10 0 ACAELP C[N@@H+]1CCCC(=O)[C@@]2(CC[NH2+]C2)C1 76607143 572407236 /nfs/dbraw/zinc/40/72/36/572407236.db2.gz UKROTHWPSSVNOX-SNVBAGLBSA-N 2 2 182.267 0.261 10 0 ACAELP CC(C)[C@@H]([NH3+])c1nnc(C[NH+](C)C)o1 238791973 572407315 /nfs/dbraw/zinc/40/73/15/572407315.db2.gz GMZDYHJXEWMCAX-MRVPVSSYSA-N 2 2 198.270 0.787 10 0 ACAELP Cn1ccc([C@H]2[C@H]([NH3+])CC[N@@H+]2C)c1 76603484 572407699 /nfs/dbraw/zinc/40/76/99/572407699.db2.gz ZWHCXPOLEDSLQQ-ZJUUUORDSA-N 2 2 179.267 0.729 10 0 ACAELP Cn1ccc([C@H]2[C@H]([NH3+])CC[N@H+]2C)c1 76603484 572407702 /nfs/dbraw/zinc/40/77/02/572407702.db2.gz ZWHCXPOLEDSLQQ-ZJUUUORDSA-N 2 2 179.267 0.729 10 0 ACAELP C[NH2+]CC[NH2+]C[C@]1(C)CCCO1 87255571 572407843 /nfs/dbraw/zinc/40/78/43/572407843.db2.gz QAXVSFXHZIUBNI-VIFPVBQESA-N 2 2 172.272 0.365 10 0 ACAELP C[C@@H]1C[NH2+]CC[N@@H+](C2CCOCC2)C1 44390231 572407914 /nfs/dbraw/zinc/40/79/14/572407914.db2.gz IZPCOXFPPSWHTI-SNVBAGLBSA-N 2 2 198.310 0.707 10 0 ACAELP C[C@@H]1C[NH2+]CC[N@H+](C2CCOCC2)C1 44390231 572407921 /nfs/dbraw/zinc/40/79/21/572407921.db2.gz IZPCOXFPPSWHTI-SNVBAGLBSA-N 2 2 198.310 0.707 10 0 ACAELP CC1(C)CC[N@H+](C[C@@H]([NH3+])CCO)C1 87252386 572407977 /nfs/dbraw/zinc/40/79/77/572407977.db2.gz GXHPOHCRJMWXQC-VIFPVBQESA-N 2 2 186.299 0.428 10 0 ACAELP CC1(C)CC[N@@H+](C[C@@H]([NH3+])CCO)C1 87252386 572407979 /nfs/dbraw/zinc/40/79/79/572407979.db2.gz GXHPOHCRJMWXQC-VIFPVBQESA-N 2 2 186.299 0.428 10 0 ACAELP CC[NH2+]CC[NH2+]C[C@]1(C)CCCO1 87255679 572408096 /nfs/dbraw/zinc/40/80/96/572408096.db2.gz KGMPWXJBDSQYGX-JTQLQIEISA-N 2 2 186.299 0.755 10 0 ACAELP C[NH+](C)CC[NH2+]C[C@]1(C)CCCO1 87253006 572408107 /nfs/dbraw/zinc/40/81/07/572408107.db2.gz OCAWWCPTVAFCDY-JTQLQIEISA-N 2 2 186.299 0.707 10 0 ACAELP CCC[N@@H+](C)CC[NH2+]CC 44380740 572408268 /nfs/dbraw/zinc/40/82/68/572408268.db2.gz XXEFQXVRUXNVIK-UHFFFAOYSA-N 2 2 144.262 0.938 10 0 ACAELP 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/nfs/dbraw/zinc/43/91/65/572439165.db2.gz PFOCOHJOUAHQMD-QWRGUYRKSA-N 2 2 198.310 0.705 10 0 ACAELP CC(C)[C@@H]1C[NH2+]CC[C@H]2COCC[N@H+]21 74236942 572439170 /nfs/dbraw/zinc/43/91/70/572439170.db2.gz PFOCOHJOUAHQMD-QWRGUYRKSA-N 2 2 198.310 0.705 10 0 ACAELP C[NH+](C)Cc1ccsc1C(=O)C[NH3+] 74237130 572439792 /nfs/dbraw/zinc/43/97/92/572439792.db2.gz HBHYHCHWIQWBQN-UHFFFAOYSA-N 2 2 198.291 0.951 10 0 ACAELP C[C@H]([NH3+])[C@H]([NH3+])CC(=O)OC(C)(C)C 238804008 572441091 /nfs/dbraw/zinc/44/10/91/572441091.db2.gz XRLVOXGVDUYONU-NKWVEPMBSA-N 2 2 188.271 0.393 10 0 ACAELP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1ncco1 250551619 572441582 /nfs/dbraw/zinc/44/15/82/572441582.db2.gz AHVUDHZVIWHDFT-SFYZADRCSA-N 2 2 181.239 0.626 10 0 ACAELP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1ncco1 250551619 572441586 /nfs/dbraw/zinc/44/15/86/572441586.db2.gz AHVUDHZVIWHDFT-SFYZADRCSA-N 2 2 181.239 0.626 10 0 ACAELP C[N@@H+]1CC[C@@H]([NH3+])[C@@H](N2CCCCC2)C1 250553584 572441683 /nfs/dbraw/zinc/44/16/83/572441683.db2.gz ARHASKAMMCZAOY-MNOVXSKESA-N 2 2 197.326 0.504 10 0 ACAELP C[N@H+]1CC[C@@H]([NH3+])[C@@H](N2CCCCC2)C1 250553584 572441688 /nfs/dbraw/zinc/44/16/88/572441688.db2.gz ARHASKAMMCZAOY-MNOVXSKESA-N 2 2 197.326 0.504 10 0 ACAELP CN1CC[C@@H]([NH3+])[C@@H]([NH+]2CCCCC2)C1 250553584 572441692 /nfs/dbraw/zinc/44/16/92/572441692.db2.gz ARHASKAMMCZAOY-MNOVXSKESA-N 2 2 197.326 0.504 10 0 ACAELP C[NH+]1CCC(C[N@@H+]2CCC(=O)C2)CC1 44518772 572441866 /nfs/dbraw/zinc/44/18/66/572441866.db2.gz MJPGQMIQTRBGHA-UHFFFAOYSA-N 2 2 196.294 0.603 10 0 ACAELP C[NH+]1CCC(C[N@H+]2CCC(=O)C2)CC1 44518772 572441869 /nfs/dbraw/zinc/44/18/69/572441869.db2.gz MJPGQMIQTRBGHA-UHFFFAOYSA-N 2 2 196.294 0.603 10 0 ACAELP Cn1c(CC[NH3+])[nH+]c2c1CSCC2 76637389 572442069 /nfs/dbraw/zinc/44/20/69/572442069.db2.gz BPBSXXQDTLUSHS-UHFFFAOYSA-N 2 2 197.307 0.711 10 0 ACAELP C[C@@H](C[NH+](C)C)[NH2+]CCc1ncon1 713924231 572442088 /nfs/dbraw/zinc/44/20/88/572442088.db2.gz JRRMIYSVBVCJDK-QMMMGPOBSA-N 2 2 198.270 0.152 10 0 ACAELP Cc1[nH+]c2n(c1C)C[C@H](C[NH3+])N(C)C2 76636187 572442106 /nfs/dbraw/zinc/44/21/06/572442106.db2.gz JNMBHGRSNYOBCD-VIFPVBQESA-N 2 2 194.282 0.273 10 0 ACAELP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1ncco1 250551620 572442177 /nfs/dbraw/zinc/44/21/77/572442177.db2.gz AHVUDHZVIWHDFT-YUMQZZPRSA-N 2 2 181.239 0.626 10 0 ACAELP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1ncco1 250551620 572442179 /nfs/dbraw/zinc/44/21/79/572442179.db2.gz AHVUDHZVIWHDFT-YUMQZZPRSA-N 2 2 181.239 0.626 10 0 ACAELP CSCC[N@H+](C)C1(C[NH3+])CC1 235043371 572442230 /nfs/dbraw/zinc/44/22/30/572442230.db2.gz QGOMFBWRIXFZIQ-UHFFFAOYSA-N 2 2 174.313 0.773 10 0 ACAELP CSCC[N@@H+](C)C1(C[NH3+])CC1 235043371 572442235 /nfs/dbraw/zinc/44/22/35/572442235.db2.gz QGOMFBWRIXFZIQ-UHFFFAOYSA-N 2 2 174.313 0.773 10 0 ACAELP C[N@@H+]1CC[C@H]([NH3+])[C@@H](N2CCCCC2)C1 250553586 572442441 /nfs/dbraw/zinc/44/24/41/572442441.db2.gz ARHASKAMMCZAOY-QWRGUYRKSA-N 2 2 197.326 0.504 10 0 ACAELP C[N@H+]1CC[C@H]([NH3+])[C@@H](N2CCCCC2)C1 250553586 572442447 /nfs/dbraw/zinc/44/24/47/572442447.db2.gz ARHASKAMMCZAOY-QWRGUYRKSA-N 2 2 197.326 0.504 10 0 ACAELP CN1CC[C@H]([NH3+])[C@@H]([NH+]2CCCCC2)C1 250553586 572442458 /nfs/dbraw/zinc/44/24/58/572442458.db2.gz ARHASKAMMCZAOY-QWRGUYRKSA-N 2 2 197.326 0.504 10 0 ACAELP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C2)C1 714434391 572442534 /nfs/dbraw/zinc/44/25/34/572442534.db2.gz DFQOFSZDJLEHQH-MXWKQRLJSA-N 2 2 198.310 0.705 10 0 ACAELP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C1 714434391 572442538 /nfs/dbraw/zinc/44/25/38/572442538.db2.gz DFQOFSZDJLEHQH-MXWKQRLJSA-N 2 2 198.310 0.705 10 0 ACAELP C[C@@H](C[NH+](C)C)[NH2+]CCc1ncno1 713923045 572442592 /nfs/dbraw/zinc/44/25/92/572442592.db2.gz FEYCFLVGAMAMRC-QMMMGPOBSA-N 2 2 198.270 0.152 10 0 ACAELP Cc1[nH+]c2n(c1C)C[C@@H](C[NH3+])N(C)C2 76636184 572442677 /nfs/dbraw/zinc/44/26/77/572442677.db2.gz JNMBHGRSNYOBCD-SECBINFHSA-N 2 2 194.282 0.273 10 0 ACAELP C[NH+](C)CC[NH2+]CCC1CC1 83894739 572442921 /nfs/dbraw/zinc/44/29/21/572442921.db2.gz ASTPVFUJZCXKPE-UHFFFAOYSA-N 2 2 156.273 0.938 10 0 ACAELP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)C2)C1 714434390 572443077 /nfs/dbraw/zinc/44/30/77/572443077.db2.gz DFQOFSZDJLEHQH-GARJFASQSA-N 2 2 198.310 0.705 10 0 ACAELP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C2)C1 714434390 572443080 /nfs/dbraw/zinc/44/30/80/572443080.db2.gz DFQOFSZDJLEHQH-GARJFASQSA-N 2 2 198.310 0.705 10 0 ACAELP NC(=[NH2+])CC1(Cn2cc[nH+]c2)CC1 83856204 572443338 /nfs/dbraw/zinc/44/33/38/572443338.db2.gz AOGWMNOGZQVISH-UHFFFAOYSA-N 2 2 178.239 0.989 10 0 ACAELP COCC[NH2+]CC[NH2+]C(C)(C)C 53342129 572443924 /nfs/dbraw/zinc/44/39/24/572443924.db2.gz WHUTUDWTVQMJEL-UHFFFAOYSA-N 2 2 174.288 0.611 10 0 ACAELP C[C@H](C[NH+](C)C)[NH2+]CCc1ncno1 713923041 572444250 /nfs/dbraw/zinc/44/42/50/572444250.db2.gz FEYCFLVGAMAMRC-MRVPVSSYSA-N 2 2 198.270 0.152 10 0 ACAELP [NH3+]C[C@H]([NH3+])c1ccc(CCO)cc1 238805744 572444355 /nfs/dbraw/zinc/44/43/55/572444355.db2.gz HFSMUMUSBZFPIZ-JTQLQIEISA-N 2 2 180.251 0.180 10 0 ACAELP C[NH+]1CC[C@@H]([NH3+])C[C@H]1[C@H]1CC[N@@H+](C)C1 74238756 572444448 /nfs/dbraw/zinc/44/44/48/572444448.db2.gz GLIUDXWFLRIXBN-AXFHLTTASA-N 3 2 197.326 0.360 10 0 ACAELP C[NH+]1CC[C@@H]([NH3+])C[C@H]1[C@H]1CC[N@H+](C)C1 74238756 572444453 /nfs/dbraw/zinc/44/44/53/572444453.db2.gz GLIUDXWFLRIXBN-AXFHLTTASA-N 3 2 197.326 0.360 10 0 ACAELP C[NH+]1CC[C@H]([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)C1 74238756 572444457 /nfs/dbraw/zinc/44/44/57/572444457.db2.gz GLIUDXWFLRIXBN-AXFHLTTASA-N 3 2 197.326 0.360 10 0 ACAELP C[NH+]1CC[C@H]([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)C1 74238756 572444461 /nfs/dbraw/zinc/44/44/61/572444461.db2.gz GLIUDXWFLRIXBN-AXFHLTTASA-N 3 2 197.326 0.360 10 0 ACAELP C[C@H](C[NH+](C)C)[NH2+]CCc1ncon1 713924226 572445058 /nfs/dbraw/zinc/44/50/58/572445058.db2.gz JRRMIYSVBVCJDK-MRVPVSSYSA-N 2 2 198.270 0.152 10 0 ACAELP CC1(C)COCC[N@H+]1C[C@@H]([NH3+])C1CC1 68895083 572447109 /nfs/dbraw/zinc/44/71/09/572447109.db2.gz XJVXWHTXTWXEAJ-SNVBAGLBSA-N 2 2 198.310 0.835 10 0 ACAELP C[C@H](C[NH+](C)C)Oc1ccc[nH+]c1N 713924291 572446056 /nfs/dbraw/zinc/44/60/56/572446056.db2.gz DZRGCDWYOXVYGZ-MRVPVSSYSA-N 2 2 195.266 0.993 10 0 ACAELP C[NH+]1C[C@@H]([NH3+])C[C@@H]([C@H]2CC[N@@H+](C)C2)C1 74238749 572446199 /nfs/dbraw/zinc/44/61/99/572446199.db2.gz SWEJDTNSVFPHPU-AXFHLTTASA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1C[C@@H]([NH3+])C[C@@H]([C@H]2CC[N@H+](C)C2)C1 74238749 572446203 /nfs/dbraw/zinc/44/62/03/572446203.db2.gz SWEJDTNSVFPHPU-AXFHLTTASA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1CC[C@H]([C@@H]2C[C@H]([NH3+])C[N@H+](C)C2)C1 74238749 572446206 /nfs/dbraw/zinc/44/62/06/572446206.db2.gz SWEJDTNSVFPHPU-AXFHLTTASA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1CC[C@H]([C@@H]2C[C@H]([NH3+])C[N@@H+](C)C2)C1 74238749 572446210 /nfs/dbraw/zinc/44/62/10/572446210.db2.gz SWEJDTNSVFPHPU-AXFHLTTASA-N 3 2 197.326 0.217 10 0 ACAELP [NH3+][C@H](C[N@H+]1CCCOCC1)C1CC1 68897137 572448683 /nfs/dbraw/zinc/44/86/83/572448683.db2.gz TXAKGWIESPCORR-SNVBAGLBSA-N 2 2 184.283 0.446 10 0 ACAELP C[NH+](C)CCC[C@@H]1CC[N@H+](C)C[C@H]1[NH3+] 74214375 572446940 /nfs/dbraw/zinc/44/69/40/572446940.db2.gz GQPZAECWPKZYHX-GHMZBOCLSA-N 3 2 199.342 0.607 10 0 ACAELP C[NH+](C)CCC[C@@H]1CC[N@@H+](C)C[C@H]1[NH3+] 74214375 572446945 /nfs/dbraw/zinc/44/69/45/572446945.db2.gz GQPZAECWPKZYHX-GHMZBOCLSA-N 3 2 199.342 0.607 10 0 ACAELP CC1(C)COCC[N@@H+]1C[C@@H]([NH3+])C1CC1 68895083 572447104 /nfs/dbraw/zinc/44/71/04/572447104.db2.gz XJVXWHTXTWXEAJ-SNVBAGLBSA-N 2 2 198.310 0.835 10 0 ACAELP Cc1csc(C[C@H]([NH3+])C[NH+](C)C)n1 87395523 572447142 /nfs/dbraw/zinc/44/71/42/572447142.db2.gz BPAQNMSAMXNRNI-QMMMGPOBSA-N 2 2 199.323 0.883 10 0 ACAELP Cc1csc(C[C@@H]([NH3+])C[NH+](C)C)n1 87395524 572447555 /nfs/dbraw/zinc/44/75/55/572447555.db2.gz BPAQNMSAMXNRNI-MRVPVSSYSA-N 2 2 199.323 0.883 10 0 ACAELP C[NH+](C)CCC[C@H]1CC[N@H+](C)C[C@H]1[NH3+] 74214374 572447724 /nfs/dbraw/zinc/44/77/24/572447724.db2.gz GQPZAECWPKZYHX-WDEREUQCSA-N 3 2 199.342 0.607 10 0 ACAELP C[NH+](C)CCC[C@H]1CC[N@@H+](C)C[C@H]1[NH3+] 74214374 572447729 /nfs/dbraw/zinc/44/77/29/572447729.db2.gz GQPZAECWPKZYHX-WDEREUQCSA-N 3 2 199.342 0.607 10 0 ACAELP C[NH2+][C@H](C[NH+](C)C)C1CC1 68893699 572447753 /nfs/dbraw/zinc/44/77/53/572447753.db2.gz AFVPNMAJLYBMKX-MRVPVSSYSA-N 2 2 142.246 0.546 10 0 ACAELP C[NH2+][C@@H](C[NH+](C)C)C1CC1 68893697 572447769 /nfs/dbraw/zinc/44/77/69/572447769.db2.gz AFVPNMAJLYBMKX-QMMMGPOBSA-N 2 2 142.246 0.546 10 0 ACAELP C[C@H]1C[N@H+](C[C@H]([NH3+])C2CC2)C[C@@H](C)O1 68893528 572447935 /nfs/dbraw/zinc/44/79/35/572447935.db2.gz WAUYCRMRIPZPLX-NGZCFLSTSA-N 2 2 198.310 0.833 10 0 ACAELP C[C@H]1C[N@@H+](C[C@H]([NH3+])C2CC2)C[C@@H](C)O1 68893528 572447941 /nfs/dbraw/zinc/44/79/41/572447941.db2.gz WAUYCRMRIPZPLX-NGZCFLSTSA-N 2 2 198.310 0.833 10 0 ACAELP [NH3+][C@@H](C[N@@H+]1CCCOCC1)C1CC1 68897133 572448006 /nfs/dbraw/zinc/44/80/06/572448006.db2.gz TXAKGWIESPCORR-JTQLQIEISA-N 2 2 184.283 0.446 10 0 ACAELP [NH3+][C@@H](C[N@H+]1CCCOCC1)C1CC1 68897133 572448008 /nfs/dbraw/zinc/44/80/08/572448008.db2.gz TXAKGWIESPCORR-JTQLQIEISA-N 2 2 184.283 0.446 10 0 ACAELP C[C@@H]1C[NH+](C[C@H]([NH3+])C2CC2)C[C@@H](C)O1 68893531 572448194 /nfs/dbraw/zinc/44/81/94/572448194.db2.gz WAUYCRMRIPZPLX-KKZNHRDASA-N 2 2 198.310 0.833 10 0 ACAELP CC1(C)COCC[N@@H+]1C[C@H]([NH3+])C1CC1 68895081 572448259 /nfs/dbraw/zinc/44/82/59/572448259.db2.gz XJVXWHTXTWXEAJ-JTQLQIEISA-N 2 2 198.310 0.835 10 0 ACAELP CC1(C)COCC[N@H+]1C[C@H]([NH3+])C1CC1 68895081 572448266 /nfs/dbraw/zinc/44/82/66/572448266.db2.gz XJVXWHTXTWXEAJ-JTQLQIEISA-N 2 2 198.310 0.835 10 0 ACAELP Nc1sccc1C[N@@H+]1CC[C@@H]([NH3+])C1 74238930 572448488 /nfs/dbraw/zinc/44/84/88/572448488.db2.gz AOXKOKDYKYJKEN-MRVPVSSYSA-N 2 2 197.307 0.863 10 0 ACAELP Nc1sccc1C[N@H+]1CC[C@@H]([NH3+])C1 74238930 572448495 /nfs/dbraw/zinc/44/84/95/572448495.db2.gz AOXKOKDYKYJKEN-MRVPVSSYSA-N 2 2 197.307 0.863 10 0 ACAELP [NH3+][C@H](C[N@@H+]1CCCOCC1)C1CC1 68897137 572448679 /nfs/dbraw/zinc/44/86/79/572448679.db2.gz TXAKGWIESPCORR-SNVBAGLBSA-N 2 2 184.283 0.446 10 0 ACAELP Nc1ccsc1C[N@@H+]1CC[C@@H]([NH3+])C1 74238923 572448704 /nfs/dbraw/zinc/44/87/04/572448704.db2.gz AXNQPYDQDCGXPV-SSDOTTSWSA-N 2 2 197.307 0.863 10 0 ACAELP Nc1ccsc1C[N@H+]1CC[C@@H]([NH3+])C1 74238923 572448708 /nfs/dbraw/zinc/44/87/08/572448708.db2.gz AXNQPYDQDCGXPV-SSDOTTSWSA-N 2 2 197.307 0.863 10 0 ACAELP C[C@@H](C[NH+](C)C)Oc1ccc[nH+]c1N 713924297 572448932 /nfs/dbraw/zinc/44/89/32/572448932.db2.gz DZRGCDWYOXVYGZ-QMMMGPOBSA-N 2 2 195.266 0.993 10 0 ACAELP Nc1ccsc1C[N@@H+]1CC[C@H]([NH3+])C1 74238922 572448953 /nfs/dbraw/zinc/44/89/53/572448953.db2.gz AXNQPYDQDCGXPV-ZETCQYMHSA-N 2 2 197.307 0.863 10 0 ACAELP Nc1ccsc1C[N@H+]1CC[C@H]([NH3+])C1 74238922 572448958 /nfs/dbraw/zinc/44/89/58/572448958.db2.gz AXNQPYDQDCGXPV-ZETCQYMHSA-N 2 2 197.307 0.863 10 0 ACAELP CC1(C)C[N@H+](C[C@H]([NH3+])C2CC2)CCO1 68894554 572450286 /nfs/dbraw/zinc/45/02/86/572450286.db2.gz KKTAMUVIKOLPAS-JTQLQIEISA-N 2 2 198.310 0.835 10 0 ACAELP 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238242154 572449631 /nfs/dbraw/zinc/44/96/31/572449631.db2.gz TZLLJCWENTXSMJ-VHSXEESVSA-N 3 2 185.315 0.136 10 0 ACAELP [NH3+]CC[C@H](O)c1c[nH+]cc2c1CCC2 107179527 572449667 /nfs/dbraw/zinc/44/96/67/572449667.db2.gz RJKKDKPTNSZLOK-NSHDSACASA-N 2 2 192.262 0.953 10 0 ACAELP COC1CC([NH2+][C@H]2CCC[NH2+]C2)C1 234740005 572449678 /nfs/dbraw/zinc/44/96/78/572449678.db2.gz VSZKZJJZSIEUSW-IDKOKCKLSA-N 2 2 184.283 0.505 10 0 ACAELP Cc1nc(C[NH+](C)C)oc1[C@H](O)C[NH3+] 74215083 572449739 /nfs/dbraw/zinc/44/97/39/572449739.db2.gz AJHQKKGUWHYJAI-SSDOTTSWSA-N 2 2 199.254 0.037 10 0 ACAELP C[C@@H]1C[N@H+](C[C@H]([NH3+])C2CC2)[C@H](C)CO1 68894255 572449763 /nfs/dbraw/zinc/44/97/63/572449763.db2.gz ORPFWYDRWHCCMN-KKZNHRDASA-N 2 2 198.310 0.833 10 0 ACAELP C[C@@H]1C[N@@H+](C[C@H]([NH3+])C2CC2)[C@H](C)CO1 68894255 572449768 /nfs/dbraw/zinc/44/97/68/572449768.db2.gz ORPFWYDRWHCCMN-KKZNHRDASA-N 2 2 198.310 0.833 10 0 ACAELP C[N@H+](CC(=O)C1CC1)C1CC[NH2+]CC1 68896777 572450016 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C[NH+]1CC[C@H]([NH3+])C[C@@H]1[C@H]1CC[N@@H+](C)C1 250585013 572486366 /nfs/dbraw/zinc/48/63/66/572486366.db2.gz GLIUDXWFLRIXBN-GARJFASQSA-N 3 2 197.326 0.360 10 0 ACAELP C[NH+]1CC[C@H]([NH3+])C[C@@H]1[C@H]1CC[N@H+](C)C1 250585013 572486371 /nfs/dbraw/zinc/48/63/71/572486371.db2.gz GLIUDXWFLRIXBN-GARJFASQSA-N 3 2 197.326 0.360 10 0 ACAELP C[NH+]1CC[C@H]([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)C1 250585013 572486374 /nfs/dbraw/zinc/48/63/74/572486374.db2.gz GLIUDXWFLRIXBN-GARJFASQSA-N 3 2 197.326 0.360 10 0 ACAELP C[NH+]1CC[C@H]([C@H]2C[C@@H]([NH3+])CC[N@H+]2C)C1 250585013 572486378 /nfs/dbraw/zinc/48/63/78/572486378.db2.gz GLIUDXWFLRIXBN-GARJFASQSA-N 3 2 197.326 0.360 10 0 ACAELP C[N@@H+]1CC[C@@H]([C@@H]([NH3+])c2ccon2)C1 250589737 572486969 /nfs/dbraw/zinc/48/69/69/572486969.db2.gz HFTSYJDIDZZDEX-VXNVDRBHSA-N 2 2 181.239 0.626 10 0 ACAELP C[N@H+]1CC[C@@H]([C@@H]([NH3+])c2ccon2)C1 250589737 572486973 /nfs/dbraw/zinc/48/69/73/572486973.db2.gz HFTSYJDIDZZDEX-VXNVDRBHSA-N 2 2 181.239 0.626 10 0 ACAELP C[N@@H+]1CC[C@@H]2[NH2+]CCCC(=O)[C@H]2C1 250586802 572487115 /nfs/dbraw/zinc/48/71/15/572487115.db2.gz GTHQWJHXGCNQOE-IUCAKERBSA-N 2 2 182.267 0.259 10 0 ACAELP C[N@H+]1CC[C@@H]2[NH2+]CCCC(=O)[C@H]2C1 250586802 572487120 /nfs/dbraw/zinc/48/71/20/572487120.db2.gz GTHQWJHXGCNQOE-IUCAKERBSA-N 2 2 182.267 0.259 10 0 ACAELP C[N@@H+]1CC[C@@H]([NH3+])[C@H]1Cc1ccncc1 250586853 572487208 /nfs/dbraw/zinc/48/72/08/572487208.db2.gz GTQKFQHFDSZSDX-GHMZBOCLSA-N 2 2 191.278 0.656 10 0 ACAELP C[N@H+]1CC[C@@H]([NH3+])[C@H]1Cc1ccncc1 250586853 572487210 /nfs/dbraw/zinc/48/72/10/572487210.db2.gz GTQKFQHFDSZSDX-GHMZBOCLSA-N 2 2 191.278 0.656 10 0 ACAELP C[N@@H+]1CC[C@H]([C@@H]([NH3+])c2ccon2)C1 250589736 572487310 /nfs/dbraw/zinc/48/73/10/572487310.db2.gz HFTSYJDIDZZDEX-IONNQARKSA-N 2 2 181.239 0.626 10 0 ACAELP C[N@H+]1CC[C@H]([C@@H]([NH3+])c2ccon2)C1 250589736 572487312 /nfs/dbraw/zinc/48/73/12/572487312.db2.gz HFTSYJDIDZZDEX-IONNQARKSA-N 2 2 181.239 0.626 10 0 ACAELP C[N@@H+]1CCC[C@@]2(C1)[NH2+]CC[C@@H]2CCO 250588339 572487365 /nfs/dbraw/zinc/48/73/65/572487365.db2.gz GYZHDGOGLFJEOW-MNOVXSKESA-N 2 2 198.310 0.443 10 0 ACAELP C[N@H+]1CCC[C@@]2(C1)[NH2+]CC[C@@H]2CCO 250588339 572487367 /nfs/dbraw/zinc/48/73/67/572487367.db2.gz GYZHDGOGLFJEOW-MNOVXSKESA-N 2 2 198.310 0.443 10 0 ACAELP COC1C[NH+]([C@H](C)CC(N)=[NH2+])C1 308041346 572487409 /nfs/dbraw/zinc/48/74/09/572487409.db2.gz NOLHZAHXICCHCJ-ZCFIWIBFSA-N 2 2 171.244 0.032 10 0 ACAELP C[N@@H+]1CCC[C@]2(C1)[NH2+]CC[C@@H]2CCO 250588336 572487471 /nfs/dbraw/zinc/48/74/71/572487471.db2.gz GYZHDGOGLFJEOW-GHMZBOCLSA-N 2 2 198.310 0.443 10 0 ACAELP C[N@H+]1CCC[C@]2(C1)[NH2+]CC[C@@H]2CCO 250588336 572487472 /nfs/dbraw/zinc/48/74/72/572487472.db2.gz GYZHDGOGLFJEOW-GHMZBOCLSA-N 2 2 198.310 0.443 10 0 ACAELP C[NH+](C)CCC[C@H]1CC[N@H+](C)C[C@@H]1[NH3+] 250586088 572487994 /nfs/dbraw/zinc/48/79/94/572487994.db2.gz GQPZAECWPKZYHX-QWRGUYRKSA-N 3 2 199.342 0.607 10 0 ACAELP C[NH+](C)CCC[C@H]1CC[N@@H+](C)C[C@@H]1[NH3+] 250586088 572487997 /nfs/dbraw/zinc/48/79/97/572487997.db2.gz GQPZAECWPKZYHX-QWRGUYRKSA-N 3 2 199.342 0.607 10 0 ACAELP CCO[C@@H]1CC[N@H+](C)C[C@H]1[NH3+] 250584645 572488007 /nfs/dbraw/zinc/48/80/07/572488007.db2.gz ZCLSMZGXQRDMTD-HTQZYQBOSA-N 2 2 158.245 0.054 10 0 ACAELP CCO[C@@H]1CC[N@@H+](C)C[C@H]1[NH3+] 250584645 572488012 /nfs/dbraw/zinc/48/80/12/572488012.db2.gz ZCLSMZGXQRDMTD-HTQZYQBOSA-N 2 2 158.245 0.054 10 0 ACAELP CCc1cn2cc([C@@H](O)C[NH3+])[nH+]c2[nH]1 74246448 572488667 /nfs/dbraw/zinc/48/86/67/572488667.db2.gz LUOITWWMGDXKRE-QMMMGPOBSA-N 2 2 194.238 0.217 10 0 ACAELP C[N@@H+]1CC[C@H]([C@H]2CCC[NH2+]C2)[C@H]([NH3+])C1 250603135 572489287 /nfs/dbraw/zinc/48/92/87/572489287.db2.gz KPHUWGKYZXTDSP-HBNTYKKESA-N 3 2 197.326 0.265 10 0 ACAELP C[N@H+]1CC[C@H]([C@H]2CCC[NH2+]C2)[C@H]([NH3+])C1 250603135 572489289 /nfs/dbraw/zinc/48/92/89/572489289.db2.gz KPHUWGKYZXTDSP-HBNTYKKESA-N 3 2 197.326 0.265 10 0 ACAELP C[N@H+]1C[C@@H](c2ccno2)C[C@@H]([NH3+])C1 250606178 572489341 /nfs/dbraw/zinc/48/93/41/572489341.db2.gz LHISOWFOQNEHHD-JGVFFNPUSA-N 2 2 181.239 0.421 10 0 ACAELP C[N@@H+]1C[C@@H](c2ccno2)C[C@@H]([NH3+])C1 250606178 572489344 /nfs/dbraw/zinc/48/93/44/572489344.db2.gz LHISOWFOQNEHHD-JGVFFNPUSA-N 2 2 181.239 0.421 10 0 ACAELP C[NH+]1CC[C@H]([C@H]2CC[N@@H+](C)C2)[C@@H]([NH3+])C1 250604156 572489421 /nfs/dbraw/zinc/48/94/21/572489421.db2.gz KUTZOVGFARHGAG-AXFHLTTASA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1CC[C@H]([C@H]2CC[N@H+](C)C2)[C@@H]([NH3+])C1 250604156 572489422 /nfs/dbraw/zinc/48/94/22/572489422.db2.gz KUTZOVGFARHGAG-AXFHLTTASA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1CC[C@H]([C@H]2CC[N@H+](C)C[C@@H]2[NH3+])C1 250604156 572489424 /nfs/dbraw/zinc/48/94/24/572489424.db2.gz KUTZOVGFARHGAG-AXFHLTTASA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1CC[C@H]([C@H]2CC[N@@H+](C)C[C@@H]2[NH3+])C1 250604156 572489428 /nfs/dbraw/zinc/48/94/28/572489428.db2.gz KUTZOVGFARHGAG-AXFHLTTASA-N 3 2 197.326 0.217 10 0 ACAELP Cc1nc([C@@H]([NH3+])Cc2c[nH+]c[nH]2)no1 74248470 572489562 /nfs/dbraw/zinc/48/95/62/572489562.db2.gz KRTZDINRFITEJQ-ZETCQYMHSA-N 2 2 193.210 0.344 10 0 ACAELP Cc1nc([C@@H]([NH3+])Cc2c[nH]c[nH+]2)no1 74248470 572489565 /nfs/dbraw/zinc/48/95/65/572489565.db2.gz KRTZDINRFITEJQ-ZETCQYMHSA-N 2 2 193.210 0.344 10 0 ACAELP C[N@H+]1C[C@H](Cc2ccccn2)[C@@H]([NH3+])C1 250631326 572489646 /nfs/dbraw/zinc/48/96/46/572489646.db2.gz RERYKQKQUIODLZ-ONGXEEELSA-N 2 2 191.278 0.513 10 0 ACAELP C[N@@H+]1C[C@H](Cc2ccccn2)[C@@H]([NH3+])C1 250631326 572489651 /nfs/dbraw/zinc/48/96/51/572489651.db2.gz RERYKQKQUIODLZ-ONGXEEELSA-N 2 2 191.278 0.513 10 0 ACAELP CC[C@H]([NH3+])c1nnc([C@@H](C)[NH2+]C)o1 238266167 572489666 /nfs/dbraw/zinc/48/96/66/572489666.db2.gz DGEUNGYOPYOTCC-RITPCOANSA-N 2 2 184.243 0.760 10 0 ACAELP Cc1[nH+]cc(-c2nonc2C[NH3+])n1C 74248512 572489923 /nfs/dbraw/zinc/48/99/23/572489923.db2.gz GGXRHHJQYZQRRK-UHFFFAOYSA-N 2 2 193.210 0.237 10 0 ACAELP CC[C@H]([NH3+])CN(C)Cc1[nH+]ccn1C 62251488 572490019 /nfs/dbraw/zinc/49/00/19/572490019.db2.gz UFMZCMKVRYHUQO-VIFPVBQESA-N 2 2 196.298 0.589 10 0 ACAELP C[N@@H+]1CC[C@H]([C@@H]([NH3+])c2cnco2)C1 250596911 572490616 /nfs/dbraw/zinc/49/06/16/572490616.db2.gz IXWCBWALTKATLT-IONNQARKSA-N 2 2 181.239 0.626 10 0 ACAELP C[N@H+]1CC[C@H]([C@@H]([NH3+])c2cnco2)C1 250596911 572490624 /nfs/dbraw/zinc/49/06/24/572490624.db2.gz IXWCBWALTKATLT-IONNQARKSA-N 2 2 181.239 0.626 10 0 ACAELP C[N@@H+]1CC[C@@H]([NH3+])[C@H]1Cc1ccccn1 250594650 572491148 /nfs/dbraw/zinc/49/11/48/572491148.db2.gz IIYZFZNYXUSSLF-GHMZBOCLSA-N 2 2 191.278 0.656 10 0 ACAELP C[N@H+]1CC[C@@H]([NH3+])[C@H]1Cc1ccccn1 250594650 572491150 /nfs/dbraw/zinc/49/11/50/572491150.db2.gz IIYZFZNYXUSSLF-GHMZBOCLSA-N 2 2 191.278 0.656 10 0 ACAELP C[NH+]1CC[C@H]([C@H]2CC[N@@H+](C)C[C@H]2[NH3+])C1 250604161 572491509 /nfs/dbraw/zinc/49/15/09/572491509.db2.gz KUTZOVGFARHGAG-HBNTYKKESA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1CC[C@H]([C@H]2CC[N@@H+](C)C2)[C@H]([NH3+])C1 250604161 572491497 /nfs/dbraw/zinc/49/14/97/572491497.db2.gz KUTZOVGFARHGAG-HBNTYKKESA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1CC[C@H]([C@H]2CC[N@H+](C)C2)[C@H]([NH3+])C1 250604161 572491500 /nfs/dbraw/zinc/49/15/00/572491500.db2.gz KUTZOVGFARHGAG-HBNTYKKESA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1CC[C@H]([C@H]2CC[N@H+](C)C[C@H]2[NH3+])C1 250604161 572491505 /nfs/dbraw/zinc/49/15/05/572491505.db2.gz KUTZOVGFARHGAG-HBNTYKKESA-N 3 2 197.326 0.217 10 0 ACAELP C[C@H]([NH3+])CCN(C)Cc1[nH+]ccn1C 62251452 572491692 /nfs/dbraw/zinc/49/16/92/572491692.db2.gz QMYJXCDEIDWFBN-VIFPVBQESA-N 2 2 196.298 0.589 10 0 ACAELP CC(C)C[N@@H+]1CCN2CC[NH2+]C[C@H]2C1 250600551 572491703 /nfs/dbraw/zinc/49/17/03/572491703.db2.gz REMPPLJFVMWUSQ-NSHDSACASA-N 2 2 197.326 0.232 10 0 ACAELP CC(C)C[N@H+]1CCN2CC[NH2+]C[C@H]2C1 250600551 572491709 /nfs/dbraw/zinc/49/17/09/572491709.db2.gz REMPPLJFVMWUSQ-NSHDSACASA-N 2 2 197.326 0.232 10 0 ACAELP C[NH+]1CC[C@H]([C@@H]2CC[N@@H+](C)C2)[C@@H]([NH3+])C1 250604164 572491909 /nfs/dbraw/zinc/49/19/09/572491909.db2.gz KUTZOVGFARHGAG-MXWKQRLJSA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1CC[C@H]([C@@H]2CC[N@H+](C)C2)[C@@H]([NH3+])C1 250604164 572491915 /nfs/dbraw/zinc/49/19/15/572491915.db2.gz KUTZOVGFARHGAG-MXWKQRLJSA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1CC[C@@H]([C@H]2CC[N@H+](C)C[C@@H]2[NH3+])C1 250604164 572491919 /nfs/dbraw/zinc/49/19/19/572491919.db2.gz KUTZOVGFARHGAG-MXWKQRLJSA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1CC[C@@H]([C@H]2CC[N@@H+](C)C[C@@H]2[NH3+])C1 250604164 572491925 /nfs/dbraw/zinc/49/19/25/572491925.db2.gz KUTZOVGFARHGAG-MXWKQRLJSA-N 3 2 197.326 0.217 10 0 ACAELP C[N@@H+]1CC[C@H]([NH3+])[C@H]1Cc1ccccn1 250594652 572492277 /nfs/dbraw/zinc/49/22/77/572492277.db2.gz IIYZFZNYXUSSLF-WDEREUQCSA-N 2 2 191.278 0.656 10 0 ACAELP C[N@H+]1CC[C@H]([NH3+])[C@H]1Cc1ccccn1 250594652 572492282 /nfs/dbraw/zinc/49/22/82/572492282.db2.gz IIYZFZNYXUSSLF-WDEREUQCSA-N 2 2 191.278 0.656 10 0 ACAELP Cc1[nH]c(C)c(-c2nonc2C[NH3+])[nH+]1 74248511 572492522 /nfs/dbraw/zinc/49/25/22/572492522.db2.gz HGQLBQMDPNNXNO-UHFFFAOYSA-N 2 2 193.210 0.535 10 0 ACAELP C[N@@H+]1CC[C@H]([C@@H]2CCC[NH2+]C2)[C@@H]([NH3+])C1 250603137 572492533 /nfs/dbraw/zinc/49/25/33/572492533.db2.gz KPHUWGKYZXTDSP-MXWKQRLJSA-N 3 2 197.326 0.265 10 0 ACAELP C[N@H+]1CC[C@H]([C@@H]2CCC[NH2+]C2)[C@@H]([NH3+])C1 250603137 572492540 /nfs/dbraw/zinc/49/25/40/572492540.db2.gz KPHUWGKYZXTDSP-MXWKQRLJSA-N 3 2 197.326 0.265 10 0 ACAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1cnoc1 250596972 572492640 /nfs/dbraw/zinc/49/26/40/572492640.db2.gz IZQNIYURNDFYLW-BDAKNGLRSA-N 2 2 181.239 0.769 10 0 ACAELP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1cnoc1 250596972 572492646 /nfs/dbraw/zinc/49/26/46/572492646.db2.gz IZQNIYURNDFYLW-BDAKNGLRSA-N 2 2 181.239 0.769 10 0 ACAELP C[N@@H+]1C[C@H](CCO)C[C@@H]([NH2+]C2CC2)C1 250596482 572492815 /nfs/dbraw/zinc/49/28/15/572492815.db2.gz IVNFPNOELVZNBL-MWLCHTKSSA-N 2 2 198.310 0.441 10 0 ACAELP C[N@H+]1C[C@H](CCO)C[C@@H]([NH2+]C2CC2)C1 250596482 572492818 /nfs/dbraw/zinc/49/28/18/572492818.db2.gz IVNFPNOELVZNBL-MWLCHTKSSA-N 2 2 198.310 0.441 10 0 ACAELP C[NH+]1CC[C@H]([C@@H]2CC[N@@H+](C)C2)[C@H]([NH3+])C1 250604158 572492934 /nfs/dbraw/zinc/49/29/34/572492934.db2.gz KUTZOVGFARHGAG-GMTAPVOTSA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1CC[C@H]([C@@H]2CC[N@H+](C)C2)[C@H]([NH3+])C1 250604158 572492939 /nfs/dbraw/zinc/49/29/39/572492939.db2.gz KUTZOVGFARHGAG-GMTAPVOTSA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1CC[C@@H]([C@H]2CC[N@H+](C)C[C@H]2[NH3+])C1 250604158 572492942 /nfs/dbraw/zinc/49/29/42/572492942.db2.gz KUTZOVGFARHGAG-GMTAPVOTSA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1CC[C@@H]([C@H]2CC[N@@H+](C)C[C@H]2[NH3+])C1 250604158 572492945 /nfs/dbraw/zinc/49/29/45/572492945.db2.gz KUTZOVGFARHGAG-GMTAPVOTSA-N 3 2 197.326 0.217 10 0 ACAELP [NH3+]CCCCC(=O)NCc1c[nH+]c[nH]1 84081169 572492955 /nfs/dbraw/zinc/49/29/55/572492955.db2.gz OJXFPHNLYJBESM-UHFFFAOYSA-N 2 2 196.254 0.155 10 0 ACAELP [NH3+]CCCCC(=O)NCc1c[nH]c[nH+]1 84081169 572492957 /nfs/dbraw/zinc/49/29/57/572492957.db2.gz OJXFPHNLYJBESM-UHFFFAOYSA-N 2 2 196.254 0.155 10 0 ACAELP C[N@@H+]1CC[C@@H]([C@@H]([NH3+])c2cnco2)C1 250596912 572493004 /nfs/dbraw/zinc/49/30/04/572493004.db2.gz IXWCBWALTKATLT-VXNVDRBHSA-N 2 2 181.239 0.626 10 0 ACAELP C[N@H+]1CC[C@@H]([C@@H]([NH3+])c2cnco2)C1 250596912 572493007 /nfs/dbraw/zinc/49/30/07/572493007.db2.gz IXWCBWALTKATLT-VXNVDRBHSA-N 2 2 181.239 0.626 10 0 ACAELP C[N@@H+]1C[C@H]([NH3+])C[C@@H](c2ccno2)C1 250606176 572493035 /nfs/dbraw/zinc/49/30/35/572493035.db2.gz LHISOWFOQNEHHD-HTQZYQBOSA-N 2 2 181.239 0.421 10 0 ACAELP C[N@H+]1C[C@H]([NH3+])C[C@@H](c2ccno2)C1 250606176 572493039 /nfs/dbraw/zinc/49/30/39/572493039.db2.gz LHISOWFOQNEHHD-HTQZYQBOSA-N 2 2 181.239 0.421 10 0 ACAELP C[NH2+]C[C@@H]1C[N@@H+](C)CCN1CC(C)C 250602780 572493960 /nfs/dbraw/zinc/49/39/60/572493960.db2.gz SZYNAWDFURGPBD-LLVKDONJSA-N 2 2 199.342 0.478 10 0 ACAELP C[NH2+]C(C)(C)C(=O)NCc1c[nH+]c[nH]1 84081188 572493109 /nfs/dbraw/zinc/49/31/09/572493109.db2.gz AOTOCPGOCYZBIW-UHFFFAOYSA-N 2 2 196.254 0.024 10 0 ACAELP C[NH2+]C(C)(C)C(=O)NCc1c[nH]c[nH+]1 84081188 572493124 /nfs/dbraw/zinc/49/31/24/572493124.db2.gz AOTOCPGOCYZBIW-UHFFFAOYSA-N 2 2 196.254 0.024 10 0 ACAELP [NH3+][C@@H](Cc1c[nH+]c[nH]1)c1cc(=O)[nH][nH]1 74248523 572493363 /nfs/dbraw/zinc/49/33/63/572493363.db2.gz FZYHOPLGIMHZJN-LURJTMIESA-N 2 2 193.210 0.081 10 0 ACAELP [NH3+][C@@H](Cc1c[nH]c[nH+]1)c1cc(=O)[nH][nH]1 74248523 572493366 /nfs/dbraw/zinc/49/33/66/572493366.db2.gz FZYHOPLGIMHZJN-LURJTMIESA-N 2 2 193.210 0.081 10 0 ACAELP C[N@@H+]1CC[C@H]([C@H]2CCC[NH2+]C2)[C@@H]([NH3+])C1 250603132 572493367 /nfs/dbraw/zinc/49/33/67/572493367.db2.gz KPHUWGKYZXTDSP-AXFHLTTASA-N 3 2 197.326 0.265 10 0 ACAELP C[N@H+]1CC[C@H]([C@H]2CCC[NH2+]C2)[C@@H]([NH3+])C1 250603132 572493370 /nfs/dbraw/zinc/49/33/70/572493370.db2.gz KPHUWGKYZXTDSP-AXFHLTTASA-N 3 2 197.326 0.265 10 0 ACAELP C[NH+](C)CC[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C 250606129 572493378 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OUUQWFLHOCDGLB-VIFPVBQESA-N 2 2 184.283 0.459 10 0 ACAELP C[N@@H+](CC[C@H]1COCC[NH2+]1)C1CC1 87510232 572522830 /nfs/dbraw/zinc/52/28/30/572522830.db2.gz OUUQWFLHOCDGLB-VIFPVBQESA-N 2 2 184.283 0.459 10 0 ACAELP CC1(C)C[C@@H]1[NH2+]CC[C@H]1COCC[NH2+]1 87510777 572522836 /nfs/dbraw/zinc/52/28/36/572522836.db2.gz ALEOUYUARSTATN-UWVGGRQHSA-N 2 2 198.310 0.753 10 0 ACAELP CC[NH+](CC)CC[C@@H]1COCC[NH2+]1 87510088 572522896 /nfs/dbraw/zinc/52/28/96/572522896.db2.gz XBTGYRZLALSWGF-SNVBAGLBSA-N 2 2 186.299 0.707 10 0 ACAELP CC[C@H](C)[NH2+]CC[C@@H]1COCC[NH2+]1 87510485 572522910 /nfs/dbraw/zinc/52/29/10/572522910.db2.gz KAEOOJMVPCPHBR-VHSXEESVSA-N 2 2 186.299 0.753 10 0 ACAELP C1CC([NH2+]CC[C@H]2COCC[NH2+]2)C1 87510822 572522954 /nfs/dbraw/zinc/52/29/54/572522954.db2.gz JUEYMSCESPUNMB-JTQLQIEISA-N 2 2 184.283 0.507 10 0 ACAELP CCC[N@H+](C)CC[C@@H]1COCC[NH2+]1 87510273 572522978 /nfs/dbraw/zinc/52/29/78/572522978.db2.gz IOMLFGCTDMBWEP-SNVBAGLBSA-N 2 2 186.299 0.707 10 0 ACAELP CCC[N@@H+](C)CC[C@@H]1COCC[NH2+]1 87510273 572522982 /nfs/dbraw/zinc/52/29/82/572522982.db2.gz IOMLFGCTDMBWEP-SNVBAGLBSA-N 2 2 186.299 0.707 10 0 ACAELP CC(C)(C)[NH2+]CC[C@H]1COCC[NH2+]1 87510465 572523064 /nfs/dbraw/zinc/52/30/64/572523064.db2.gz JIQOFTNXXNZIIC-VIFPVBQESA-N 2 2 186.299 0.753 10 0 ACAELP C[N@@H+]1CC[C@@H]2[NH2+]CCCC(=O)[C@@H]2CC1 250661231 572523593 /nfs/dbraw/zinc/52/35/93/572523593.db2.gz YUFUHNMTJUUGDD-ZJUUUORDSA-N 2 2 196.294 0.649 10 0 ACAELP CC1(C)C[C@H]1[NH2+]CC[C@@H]1COCC[NH2+]1 87510774 572523171 /nfs/dbraw/zinc/52/31/71/572523171.db2.gz ALEOUYUARSTATN-NXEZZACHSA-N 2 2 198.310 0.753 10 0 ACAELP C[N@H+]1CC[C@@H]2[NH2+]CCCC(=O)[C@@H]2CC1 250661231 572523597 /nfs/dbraw/zinc/52/35/97/572523597.db2.gz YUFUHNMTJUUGDD-ZJUUUORDSA-N 2 2 196.294 0.649 10 0 ACAELP CCCC[NH2+]CC[C@H]1COCC[NH2+]1 87510533 572523206 /nfs/dbraw/zinc/52/32/06/572523206.db2.gz WTPNDZYGJOSXOB-JTQLQIEISA-N 2 2 186.299 0.755 10 0 ACAELP CC[N@H+](CC[C@H]1COCC[NH2+]1)C1CC1 87510223 572523290 /nfs/dbraw/zinc/52/32/90/572523290.db2.gz OEOLEOLWCMUETH-JTQLQIEISA-N 2 2 198.310 0.849 10 0 ACAELP CC[N@@H+](CC[C@H]1COCC[NH2+]1)C1CC1 87510223 572523293 /nfs/dbraw/zinc/52/32/93/572523293.db2.gz OEOLEOLWCMUETH-JTQLQIEISA-N 2 2 198.310 0.849 10 0 ACAELP C[C@H]1C[C@@H]1[NH2+]CC[C@@H]1COCC[NH2+]1 87510827 572523605 /nfs/dbraw/zinc/52/36/05/572523605.db2.gz IVEQNBIREPRMHC-AEJSXWLSSA-N 2 2 184.283 0.363 10 0 ACAELP CCCC[NH2+]CC[C@@H]1COCC[NH2+]1 87510528 572523377 /nfs/dbraw/zinc/52/33/77/572523377.db2.gz WTPNDZYGJOSXOB-SNVBAGLBSA-N 2 2 186.299 0.755 10 0 ACAELP C[N@@H+]1CC[C@H]([C@H]2CCCOC2)[C@@H]([NH3+])C1 250662388 572523379 /nfs/dbraw/zinc/52/33/79/572523379.db2.gz ZBFNYYNXTSGWMU-AXFHLTTASA-N 2 2 198.310 0.692 10 0 ACAELP C[N@H+]1CC[C@H]([C@H]2CCCOC2)[C@@H]([NH3+])C1 250662388 572523383 /nfs/dbraw/zinc/52/33/83/572523383.db2.gz ZBFNYYNXTSGWMU-AXFHLTTASA-N 2 2 198.310 0.692 10 0 ACAELP CCC[NH2+]CC[C@@H]1COCC[NH2+]1 87510454 572523392 /nfs/dbraw/zinc/52/33/92/572523392.db2.gz CKNGHPXTEKSQEG-SECBINFHSA-N 2 2 172.272 0.365 10 0 ACAELP CCC[NH2+]CC[C@H]1COCC[NH2+]1 87510460 572523406 /nfs/dbraw/zinc/52/34/06/572523406.db2.gz CKNGHPXTEKSQEG-VIFPVBQESA-N 2 2 172.272 0.365 10 0 ACAELP Cc1cn(Cc2[nH+]ccn2C)c(N)[nH+]1 235957120 572523459 /nfs/dbraw/zinc/52/34/59/572523459.db2.gz VIXIZFZHMNLHEI-UHFFFAOYSA-N 2 2 191.238 0.556 10 0 ACAELP C(C[C@H]1COCC[NH2+]1)[NH2+]C1CC1 87510496 572523474 /nfs/dbraw/zinc/52/34/74/572523474.db2.gz SMWYRJAEHAWZQV-VIFPVBQESA-N 2 2 170.256 0.117 10 0 ACAELP Cc1cn(CCn2cc[nH+]c2)c(N)[nH+]1 235952272 572523519 /nfs/dbraw/zinc/52/35/19/572523519.db2.gz WIRDWRIEMQBYCZ-UHFFFAOYSA-N 2 2 191.238 0.670 10 0 ACAELP CC(C)C[NH2+]CC[C@@H]1COCC[NH2+]1 87510499 572523541 /nfs/dbraw/zinc/52/35/41/572523541.db2.gz YYWXLMAKEYUVHH-SNVBAGLBSA-N 2 2 186.299 0.611 10 0 ACAELP C1CC([NH2+]CC[C@@H]2COCC[NH2+]2)C1 87510819 572523714 /nfs/dbraw/zinc/52/37/14/572523714.db2.gz JUEYMSCESPUNMB-SNVBAGLBSA-N 2 2 184.283 0.507 10 0 ACAELP C[C@H]([NH3+])[C@H](O)c1cc2c[nH+]cnc2[nH]1 74269745 572523750 /nfs/dbraw/zinc/52/37/50/572523750.db2.gz WXBRSJSFJRTKPT-XNCJUZBTSA-N 2 2 192.222 0.339 10 0 ACAELP C[C@@H]([NH3+])[C@H](O)c1cc2c[nH+]cnc2[nH]1 74269747 572523759 /nfs/dbraw/zinc/52/37/59/572523759.db2.gz WXBRSJSFJRTKPT-XRGYYRRGSA-N 2 2 192.222 0.339 10 0 ACAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCCO1 250655445 572523802 /nfs/dbraw/zinc/52/38/02/572523802.db2.gz XRALZGZGMIUWIV-WDEREUQCSA-N 2 2 198.310 0.849 10 0 ACAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCCO1 250655445 572523804 /nfs/dbraw/zinc/52/38/04/572523804.db2.gz XRALZGZGMIUWIV-WDEREUQCSA-N 2 2 198.310 0.849 10 0 ACAELP C[N@@H+]1CC[C@H]([C@@H]2CCCOC2)[C@@H]([NH3+])C1 250662395 572523836 /nfs/dbraw/zinc/52/38/36/572523836.db2.gz ZBFNYYNXTSGWMU-MXWKQRLJSA-N 2 2 198.310 0.692 10 0 ACAELP C[N@H+]1CC[C@H]([C@@H]2CCCOC2)[C@@H]([NH3+])C1 250662395 572523840 /nfs/dbraw/zinc/52/38/40/572523840.db2.gz ZBFNYYNXTSGWMU-MXWKQRLJSA-N 2 2 198.310 0.692 10 0 ACAELP C[C@@H]([NH3+])[C@@H](O)c1cc2c[nH+]cnc2[nH]1 74269750 572524017 /nfs/dbraw/zinc/52/40/17/572524017.db2.gz WXBRSJSFJRTKPT-SVGQVSJJSA-N 2 2 192.222 0.339 10 0 ACAELP C[N@@H+](CC[C@H]1COCC[NH2+]1)CC1CC1 87510430 572524079 /nfs/dbraw/zinc/52/40/79/572524079.db2.gz UUHGMEOQKPUYJG-NSHDSACASA-N 2 2 198.310 0.707 10 0 ACAELP C[N@H+](CC[C@H]1COCC[NH2+]1)CC1CC1 87510430 572524076 /nfs/dbraw/zinc/52/40/76/572524076.db2.gz UUHGMEOQKPUYJG-NSHDSACASA-N 2 2 198.310 0.707 10 0 ACAELP CC(C)[N@H+](C)CC[C@H]1COCC[NH2+]1 87510162 572524100 /nfs/dbraw/zinc/52/41/00/572524100.db2.gz PDCPCEJJABJXGB-JTQLQIEISA-N 2 2 186.299 0.705 10 0 ACAELP CC(C)[N@@H+](C)CC[C@H]1COCC[NH2+]1 87510162 572524102 /nfs/dbraw/zinc/52/41/02/572524102.db2.gz PDCPCEJJABJXGB-JTQLQIEISA-N 2 2 186.299 0.705 10 0 ACAELP C[N@@H+]1CC[C@H]([C@H]2CCCOC2)[C@H]([NH3+])C1 250662392 572524175 /nfs/dbraw/zinc/52/41/75/572524175.db2.gz ZBFNYYNXTSGWMU-HBNTYKKESA-N 2 2 198.310 0.692 10 0 ACAELP C[N@H+]1CC[C@H]([C@H]2CCCOC2)[C@H]([NH3+])C1 250662392 572524179 /nfs/dbraw/zinc/52/41/79/572524179.db2.gz ZBFNYYNXTSGWMU-HBNTYKKESA-N 2 2 198.310 0.692 10 0 ACAELP C[N@H+]1CC[C@@H]2[NH2+]CCCC(=O)[C@H]2CC1 250661229 572524451 /nfs/dbraw/zinc/52/44/51/572524451.db2.gz YUFUHNMTJUUGDD-UWVGGRQHSA-N 2 2 196.294 0.649 10 0 ACAELP Cn1c[nH+]cc1Cc1c[nH]nc1C[NH3+] 74272370 572524453 /nfs/dbraw/zinc/52/44/53/572524453.db2.gz MJZDJSKOGCAWEW-UHFFFAOYSA-N 2 2 191.238 0.193 10 0 ACAELP Cn1c[nH+]cc1Cc1cn[nH]c1C[NH3+] 74272370 572524458 /nfs/dbraw/zinc/52/44/58/572524458.db2.gz MJZDJSKOGCAWEW-UHFFFAOYSA-N 2 2 191.238 0.193 10 0 ACAELP Cc1[nH]c(C)c(-c2c[nH]c(C[NH3+])n2)[nH+]1 74272409 572524656 /nfs/dbraw/zinc/52/46/56/572524656.db2.gz LGYMVAIZMIUSTM-UHFFFAOYSA-N 2 2 191.238 0.875 10 0 ACAELP C[NH+]1CC[C@H](C[NH3+])[C@H]2CC[N@@H+](C)C[C@H]21 250652459 572524721 /nfs/dbraw/zinc/52/47/21/572524721.db2.gz XAMIHPGLTGFJQW-GMTAPVOTSA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1CC[C@H](C[NH3+])[C@H]2CC[N@H+](C)C[C@H]21 250652459 572524725 /nfs/dbraw/zinc/52/47/25/572524725.db2.gz XAMIHPGLTGFJQW-GMTAPVOTSA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1CC[C@@H]2[C@@H](C[NH3+])CC[N@H+](C)[C@@H]2C1 250652459 572524729 /nfs/dbraw/zinc/52/47/29/572524729.db2.gz XAMIHPGLTGFJQW-GMTAPVOTSA-N 3 2 197.326 0.217 10 0 ACAELP C[NH+]1CC[C@@H]2[C@@H](C[NH3+])CC[N@@H+](C)[C@@H]2C1 250652459 572524736 /nfs/dbraw/zinc/52/47/36/572524736.db2.gz XAMIHPGLTGFJQW-GMTAPVOTSA-N 3 2 197.326 0.217 10 0 ACAELP Cc1[nH+]ccn1-c1cnc(C[NH3+])n1C 74272312 572524959 /nfs/dbraw/zinc/52/49/59/572524959.db2.gz MHAZDBQBEOXLJN-UHFFFAOYSA-N 2 2 191.238 0.373 10 0 ACAELP C[C@@H]1C[C@H]1[NH2+]CC[C@@H]1COCC[NH2+]1 87510830 572525183 /nfs/dbraw/zinc/52/51/83/572525183.db2.gz IVEQNBIREPRMHC-OPRDCNLKSA-N 2 2 184.283 0.363 10 0 ACAELP Cc1c[nH]c(Cc2c[nH]nc2C[NH3+])[nH+]1 74272364 572525236 /nfs/dbraw/zinc/52/52/36/572525236.db2.gz PXJPGVLRPURYSL-UHFFFAOYSA-N 2 2 191.238 0.491 10 0 ACAELP Cn1c[nH+]cc1-c1cnncc1C[NH3+] 74275863 572525262 /nfs/dbraw/zinc/52/52/62/572525262.db2.gz DDHOLNZULUELKX-UHFFFAOYSA-N 2 2 189.222 0.336 10 0 ACAELP Cc1cc([C@@H]([NH3+])Cc2c[nH+]c[nH]2)[nH]n1 74272296 572525380 /nfs/dbraw/zinc/52/53/80/572525380.db2.gz RMUCMPKELRBWCC-QMMMGPOBSA-N 2 2 191.238 0.684 10 0 ACAELP Cc1cc([C@@H]([NH3+])Cc2c[nH]c[nH+]2)[nH]n1 74272296 572525382 /nfs/dbraw/zinc/52/53/82/572525382.db2.gz RMUCMPKELRBWCC-QMMMGPOBSA-N 2 2 191.238 0.684 10 0 ACAELP Cc1cn2cc([C@@H]([NH3+])CO)ccc2[nH+]1 74272461 572525423 /nfs/dbraw/zinc/52/54/23/572525423.db2.gz NUKWUMXDHZCLBV-VIFPVBQESA-N 2 2 191.234 0.635 10 0 ACAELP C[C@H]1C[C@H]1[NH2+]CC[C@@H]1COCC[NH2+]1 87510831 572525622 /nfs/dbraw/zinc/52/56/22/572525622.db2.gz IVEQNBIREPRMHC-IVZWLZJFSA-N 2 2 184.283 0.363 10 0 ACAELP Cc1nc(C[NH3+])n(C)c1-n1cc[nH+]c1 74272318 572525970 /nfs/dbraw/zinc/52/59/70/572525970.db2.gz ONWCWTXNDDXFSW-UHFFFAOYSA-N 2 2 191.238 0.373 10 0 ACAELP Cc1[nH+]cc([C@H]([NH3+])C(C)(C)CO)n1C 689738344 572526025 /nfs/dbraw/zinc/52/60/25/572526025.db2.gz XFJZCOJHKYOWHI-VIFPVBQESA-N 2 2 197.282 0.747 10 0 ACAELP C[N@@H+]1CC[C@H]2[NH2+]C(C)(C)CO[C@H]2C1 250815572 572526044 /nfs/dbraw/zinc/52/60/44/572526044.db2.gz WZHPCJXAJHCDMN-BDAKNGLRSA-N 2 2 184.283 0.458 10 0 ACAELP C[N@H+]1CC[C@H]2[NH2+]C(C)(C)CO[C@H]2C1 250815572 572526045 /nfs/dbraw/zinc/52/60/45/572526045.db2.gz WZHPCJXAJHCDMN-BDAKNGLRSA-N 2 2 184.283 0.458 10 0 ACAELP Cc1[nH]c2c([nH+]1)CCN(C)[C@H]2[C@H](C)[NH3+] 250863668 572526350 /nfs/dbraw/zinc/52/63/50/572526350.db2.gz XXOVSMJXOCWNFK-WKEGUHRASA-N 2 2 194.282 0.594 10 0 ACAELP CC[NH2+][C@@H](C[NH3+])c1ccoc1 63047978 572526562 /nfs/dbraw/zinc/52/65/62/572526562.db2.gz DJBJTULCEWTRME-QMMMGPOBSA-N 2 2 154.213 0.889 10 0 ACAELP C[NH2+][C@@]1(C)CC[N@H+](C[C@H]2CCCO2)C1 250816738 572526578 /nfs/dbraw/zinc/52/65/78/572526578.db2.gz XMVBYODKAUYEEI-MNOVXSKESA-N 2 2 198.310 0.849 10 0 ACAELP C[NH2+][C@@]1(C)CC[N@@H+](C[C@H]2CCCO2)C1 250816738 572526584 /nfs/dbraw/zinc/52/65/84/572526584.db2.gz XMVBYODKAUYEEI-MNOVXSKESA-N 2 2 198.310 0.849 10 0 ACAELP Cn1cc[nH+]c1C[C@@H]([NH3+])c1c[nH]cn1 74272399 572526705 /nfs/dbraw/zinc/52/67/05/572526705.db2.gz DHJBPGATBSAATA-SSDOTTSWSA-N 2 2 191.238 0.386 10 0 ACAELP CC[NH2+][C@H](C[NH3+])c1ccoc1 63047979 572526794 /nfs/dbraw/zinc/52/67/94/572526794.db2.gz DJBJTULCEWTRME-MRVPVSSYSA-N 2 2 154.213 0.889 10 0 ACAELP Cc1cn2cc([C@H]([NH3+])CO)ccc2[nH+]1 74272460 572526880 /nfs/dbraw/zinc/52/68/80/572526880.db2.gz NUKWUMXDHZCLBV-SECBINFHSA-N 2 2 191.234 0.635 10 0 ACAELP C[N@@H+]1CC[C@H]2[NH2+]C(C)(C)CO[C@@H]2C1 250815573 572527286 /nfs/dbraw/zinc/52/72/86/572527286.db2.gz WZHPCJXAJHCDMN-RKDXNWHRSA-N 2 2 184.283 0.458 10 0 ACAELP C[N@H+]1CC[C@H]2[NH2+]C(C)(C)CO[C@@H]2C1 250815573 572527295 /nfs/dbraw/zinc/52/72/95/572527295.db2.gz WZHPCJXAJHCDMN-RKDXNWHRSA-N 2 2 184.283 0.458 10 0 ACAELP Cc1[nH]c(Cn2cc[nH+]c2C)[nH+]c1N 74272314 572527311 /nfs/dbraw/zinc/52/73/11/572527311.db2.gz HNMAXRFCPRIETD-UHFFFAOYSA-N 2 2 191.238 0.854 10 0 ACAELP Cn1cc[nH+]c1C[C@H]([NH3+])c1c[nH]cn1 74272397 572527524 /nfs/dbraw/zinc/52/75/24/572527524.db2.gz DHJBPGATBSAATA-ZETCQYMHSA-N 2 2 191.238 0.386 10 0 ACAELP C(CC1CC1)[NH2+]CC[C@H]1COCC[NH2+]1 87511112 572527826 /nfs/dbraw/zinc/52/78/26/572527826.db2.gz ZIVLFTUUSBEVEY-NSHDSACASA-N 2 2 198.310 0.755 10 0 ACAELP Cc1[nH]c2c([nH+]1)CCN(C)[C@@H]2[C@H](C)[NH3+] 250863664 572528890 /nfs/dbraw/zinc/52/88/90/572528890.db2.gz XXOVSMJXOCWNFK-QUBYGPBYSA-N 2 2 194.282 0.594 10 0 ACAELP C[C@H](O)[C@@H]([NH3+])c1cccc2[nH+]ccn12 74272547 572529292 /nfs/dbraw/zinc/52/92/92/572529292.db2.gz OAHWLKYEAZDYSS-OIBJUYFYSA-N 2 2 191.234 0.715 10 0 ACAELP C[C@H](O)[C@@H]([NH3+])c1c[nH]c2cc[nH+]cc12 74272515 572529490 /nfs/dbraw/zinc/52/94/90/572529490.db2.gz ANBCZYTVBSKCOK-QUBYGPBYSA-N 2 2 191.234 0.944 10 0 ACAELP C[C@@H](O)[C@@H]([NH3+])c1cccc2[nH+]ccn12 74272549 572530021 /nfs/dbraw/zinc/53/00/21/572530021.db2.gz OAHWLKYEAZDYSS-GMSGAONNSA-N 2 2 191.234 0.715 10 0 ACAELP CC[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1CO 250771516 572530237 /nfs/dbraw/zinc/53/02/37/572530237.db2.gz ZMFXXAAMYQCAHE-VHSXEESVSA-N 2 2 186.299 0.297 10 0 ACAELP CC[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1CO 250771516 572530243 /nfs/dbraw/zinc/53/02/43/572530243.db2.gz ZMFXXAAMYQCAHE-VHSXEESVSA-N 2 2 186.299 0.297 10 0 ACAELP C[C@@H](O)[C@H]([NH3+])c1c[nH]c2cc[nH+]cc12 74272514 572530340 /nfs/dbraw/zinc/53/03/40/572530340.db2.gz ANBCZYTVBSKCOK-LDWIPMOCSA-N 2 2 191.234 0.944 10 0 ACAELP C[C@H](O)[C@H]([NH3+])c1cccc2[nH+]ccn12 74272544 572531186 /nfs/dbraw/zinc/53/11/86/572531186.db2.gz OAHWLKYEAZDYSS-XVKPBYJWSA-N 2 2 191.234 0.715 10 0 ACAELP C[C@@H](O)[C@@H]([NH3+])c1c[nH]c2cc[nH+]cc12 74272517 572530751 /nfs/dbraw/zinc/53/07/51/572530751.db2.gz ANBCZYTVBSKCOK-LHLIQPBNSA-N 2 2 191.234 0.944 10 0 ACAELP C[C@@H](O)[C@H]([NH3+])c1cccc2[nH+]ccn12 74272546 572530802 /nfs/dbraw/zinc/53/08/02/572530802.db2.gz OAHWLKYEAZDYSS-XCBNKYQSSA-N 2 2 191.234 0.715 10 0 ACAELP CC(C)[NH2+][C@H]1CC[N@@H+](C[C@H](C)O)C1 250765971 572530980 /nfs/dbraw/zinc/53/09/80/572530980.db2.gz RJQXWBLUYYTXRH-UWVGGRQHSA-N 2 2 186.299 0.440 10 0 ACAELP CC(C)[NH2+][C@H]1CC[N@H+](C[C@H](C)O)C1 250765971 572530984 /nfs/dbraw/zinc/53/09/84/572530984.db2.gz RJQXWBLUYYTXRH-UWVGGRQHSA-N 2 2 186.299 0.440 10 0 ACAELP C[C@H](O)[C@H]([NH3+])c1c[nH]c2cc[nH+]cc12 74272512 572531314 /nfs/dbraw/zinc/53/13/14/572531314.db2.gz ANBCZYTVBSKCOK-WKEGUHRASA-N 2 2 191.234 0.944 10 0 ACAELP CC(C)[NH2+][C@@H]1CC[N@@H+](C[C@H](C)O)C1 250765973 572531393 /nfs/dbraw/zinc/53/13/93/572531393.db2.gz RJQXWBLUYYTXRH-VHSXEESVSA-N 2 2 186.299 0.440 10 0 ACAELP CC(C)[NH2+][C@@H]1CC[N@H+](C[C@H](C)O)C1 250765973 572531396 /nfs/dbraw/zinc/53/13/96/572531396.db2.gz RJQXWBLUYYTXRH-VHSXEESVSA-N 2 2 186.299 0.440 10 0 ACAELP COCC1CC([N@@H+]2CC[C@H]2C[NH3+])C1 713997394 572531534 /nfs/dbraw/zinc/53/15/34/572531534.db2.gz MOBSVZOIHFNFFS-KYHHOPLUSA-N 2 2 184.283 0.444 10 0 ACAELP COCC1CC([N@H+]2CC[C@H]2C[NH3+])C1 713997394 572531536 /nfs/dbraw/zinc/53/15/36/572531536.db2.gz MOBSVZOIHFNFFS-KYHHOPLUSA-N 2 2 184.283 0.444 10 0 ACAELP CCc1c(CC[NH3+])[nH+]cn1CC 238293383 572531811 /nfs/dbraw/zinc/53/18/11/572531811.db2.gz PZBOYIUCWYULDO-UHFFFAOYSA-N 2 2 167.256 0.967 10 0 ACAELP C[NH2+][C@@H]1C[N@@H+](C2CC2)CC[C@H]1CO 250702637 572531999 /nfs/dbraw/zinc/53/19/99/572531999.db2.gz DCFDKRKDTZOGSR-WCBMZHEXSA-N 2 2 184.283 0.051 10 0 ACAELP C[NH2+][C@@H]1C[N@H+](C2CC2)CC[C@H]1CO 250702637 572532003 /nfs/dbraw/zinc/53/20/03/572532003.db2.gz DCFDKRKDTZOGSR-WCBMZHEXSA-N 2 2 184.283 0.051 10 0 ACAELP CC[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1CO 250771514 572532009 /nfs/dbraw/zinc/53/20/09/572532009.db2.gz ZMFXXAAMYQCAHE-UWVGGRQHSA-N 2 2 186.299 0.297 10 0 ACAELP CC[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1CO 250771514 572532012 /nfs/dbraw/zinc/53/20/12/572532012.db2.gz ZMFXXAAMYQCAHE-UWVGGRQHSA-N 2 2 186.299 0.297 10 0 ACAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCCO 63168876 572532102 /nfs/dbraw/zinc/53/21/02/572532102.db2.gz MNGLCYCDYSKEMQ-JTQLQIEISA-N 2 2 186.299 0.443 10 0 ACAELP C[NH2+]C[C@@H]1CCCC[N@H+]1CCCO 63168876 572532104 /nfs/dbraw/zinc/53/21/04/572532104.db2.gz MNGLCYCDYSKEMQ-JTQLQIEISA-N 2 2 186.299 0.443 10 0 ACAELP C[NH2+]CC[NH2+]CCc1nccs1 63135978 572532127 /nfs/dbraw/zinc/53/21/27/572532127.db2.gz RSADUOCQVXYUTD-UHFFFAOYSA-N 2 2 185.296 0.495 10 0 ACAELP C[NH2+][C@H]1C[N@@H+](C2CC2)CC[C@H]1CO 250702639 572532161 /nfs/dbraw/zinc/53/21/61/572532161.db2.gz DCFDKRKDTZOGSR-WPRPVWTQSA-N 2 2 184.283 0.051 10 0 ACAELP C[NH2+][C@H]1C[N@H+](C2CC2)CC[C@H]1CO 250702639 572532163 /nfs/dbraw/zinc/53/21/63/572532163.db2.gz DCFDKRKDTZOGSR-WPRPVWTQSA-N 2 2 184.283 0.051 10 0 ACAELP CC(C)(C)[N@@H+]1CCN2CC[NH2+]C[C@H]2C1 250706183 572532916 /nfs/dbraw/zinc/53/29/16/572532916.db2.gz PVYOBTPRCLAVJN-JTQLQIEISA-N 2 2 197.326 0.374 10 0 ACAELP CC(C)(C)[N@H+]1CCN2CC[NH2+]C[C@H]2C1 250706183 572532919 /nfs/dbraw/zinc/53/29/19/572532919.db2.gz PVYOBTPRCLAVJN-JTQLQIEISA-N 2 2 197.326 0.374 10 0 ACAELP C[NH+](C)CC(C)(CO)C[NH+](C)C 238292965 572533063 /nfs/dbraw/zinc/53/30/63/572533063.db2.gz XXMNYMLKMNQAFD-UHFFFAOYSA-N 2 2 174.288 0.108 10 0 ACAELP Cn1cc[nH+]c1C[C@@H]([NH3+])c1ccc[nH]1 74274099 572533260 /nfs/dbraw/zinc/53/32/60/572533260.db2.gz VMWIFYKYSSLUSQ-MRVPVSSYSA-N 2 2 190.250 0.991 10 0 ACAELP CC(C)[NH2+][C@@H]1C[N@H+](C)CC[C@H]1CO 250779255 572533746 /nfs/dbraw/zinc/53/37/46/572533746.db2.gz WBGWCVYLCCZCFX-VHSXEESVSA-N 2 2 186.299 0.297 10 0 ACAELP CC(C)[NH2+][C@@H]1C[N@@H+](C)CC[C@H]1CO 250779255 572533751 /nfs/dbraw/zinc/53/37/51/572533751.db2.gz WBGWCVYLCCZCFX-VHSXEESVSA-N 2 2 186.299 0.297 10 0 ACAELP Cn1cc[nH+]c1C[C@H]([NH3+])c1ccc[nH]1 74274097 572534153 /nfs/dbraw/zinc/53/41/53/572534153.db2.gz VMWIFYKYSSLUSQ-QMMMGPOBSA-N 2 2 190.250 0.991 10 0 ACAELP CC(C)[NH2+][C@H]1C[N@H+](C)CC[C@H]1CO 250779252 572534912 /nfs/dbraw/zinc/53/49/12/572534912.db2.gz WBGWCVYLCCZCFX-UWVGGRQHSA-N 2 2 186.299 0.297 10 0 ACAELP CC(C)[NH2+][C@H]1C[N@@H+](C)CC[C@H]1CO 250779252 572534913 /nfs/dbraw/zinc/53/49/13/572534913.db2.gz WBGWCVYLCCZCFX-UWVGGRQHSA-N 2 2 186.299 0.297 10 0 ACAELP C[NH2+]CC(=O)c1cc2c[nH+]cnc2[nH]1 74274633 572535425 /nfs/dbraw/zinc/53/54/25/572535425.db2.gz BTYZTKLKRPEWRE-UHFFFAOYSA-N 2 2 190.206 0.360 10 0 ACAELP [NH3+][C@@H]1CC[C@@H]([N@@H+]2CCCOC(=O)C2)C1 250796078 572535542 /nfs/dbraw/zinc/53/55/42/572535542.db2.gz AMUDGFXZTPOKAS-RKDXNWHRSA-N 2 2 198.266 0.115 10 0 ACAELP [NH3+][C@@H]1CC[C@@H]([N@H+]2CCCOC(=O)C2)C1 250796078 572535549 /nfs/dbraw/zinc/53/55/49/572535549.db2.gz AMUDGFXZTPOKAS-RKDXNWHRSA-N 2 2 198.266 0.115 10 0 ACAELP CC[C@H](C)[C@@H]([NH3+])c1nnc(C[NH2+]C)o1 238296003 572535583 /nfs/dbraw/zinc/53/55/83/572535583.db2.gz RGIQORNIZJZDSL-POYBYMJQSA-N 2 2 198.270 0.835 10 0 ACAELP [NH3+]CC(=O)c1c[nH]c(-c2[nH]cc[nH+]2)c1 74274622 572536382 /nfs/dbraw/zinc/53/63/82/572536382.db2.gz JOZOUUPFSLTUPI-UHFFFAOYSA-N 2 2 190.206 0.546 10 0 ACAELP C[NH2+]C[C@@H]1C[N@H+](C)CCN1C(C)C 250778334 572536385 /nfs/dbraw/zinc/53/63/85/572536385.db2.gz VXPABOSWRFLLCF-SNVBAGLBSA-N 2 2 185.315 0.230 10 0 ACAELP C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C(C)C 250778334 572536390 /nfs/dbraw/zinc/53/63/90/572536390.db2.gz VXPABOSWRFLLCF-SNVBAGLBSA-N 2 2 185.315 0.230 10 0 ACAELP CCOC[C@](C)(C[NH3+])[NH+]1CCC1 308052973 572537405 /nfs/dbraw/zinc/53/74/05/572537405.db2.gz SUHPFXUIYDBWHO-VIFPVBQESA-N 2 2 172.272 0.446 10 0 ACAELP C[NH2+][C@@H]1CC[N@H+]([C@@]2(C)CCO[C@@H]2C)C1 234464800 572537757 /nfs/dbraw/zinc/53/77/57/572537757.db2.gz KXICGGNYCLFUGZ-MXWKQRLJSA-N 2 2 198.310 0.848 10 0 ACAELP C[NH2+][C@@H]1CC[N@@H+]([C@@]2(C)CCO[C@@H]2C)C1 234464800 572537752 /nfs/dbraw/zinc/53/77/52/572537752.db2.gz KXICGGNYCLFUGZ-MXWKQRLJSA-N 2 2 198.310 0.848 10 0 ACAELP C[C@@H](C[NH3+])[NH2+]Cc1cncs1 235140189 572539202 /nfs/dbraw/zinc/53/92/02/572539202.db2.gz PJTPBAMOZYIFAX-LURJTMIESA-N 2 2 171.269 0.580 10 0 ACAELP C[N@H+]1C[C@H]2[NH2+]C(C)(C)C[C@@H]2C1 251162282 572549387 /nfs/dbraw/zinc/54/93/87/572549387.db2.gz NFQBKDAYSCBFFN-HTQZYQBOSA-N 2 2 154.257 0.689 10 0 ACAELP CC1(O)C[NH+](CCCn2cc[nH+]c2)C1 84356330 572542081 /nfs/dbraw/zinc/54/20/81/572542081.db2.gz UFEUOJADCRLYQN-UHFFFAOYSA-N 2 2 195.266 0.340 10 0 ACAELP CCC1(O)C[NH+](CCn2cc[nH+]c2)C1 84360160 572542296 /nfs/dbraw/zinc/54/22/96/572542296.db2.gz NRMGOMJBVSBEFH-UHFFFAOYSA-N 2 2 195.266 0.340 10 0 ACAELP CC1(C)C[NH2+]CC[C@H]2COCC[N@@H+]21 74282724 572542642 /nfs/dbraw/zinc/54/26/42/572542642.db2.gz AFZOFMZKYUGLAX-VIFPVBQESA-N 2 2 184.283 0.459 10 0 ACAELP CC1(C)C[NH2+]CC[C@H]2COCC[N@H+]21 74282724 572542646 /nfs/dbraw/zinc/54/26/46/572542646.db2.gz AFZOFMZKYUGLAX-VIFPVBQESA-N 2 2 184.283 0.459 10 0 ACAELP C[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](CO)C1 251085151 572542719 /nfs/dbraw/zinc/54/27/19/572542719.db2.gz IZFLSCKNCHEMNU-NXEZZACHSA-N 2 2 186.299 0.299 10 0 ACAELP C[NH2+][C@H](C)C[N@H+]1CCC[C@@H](CO)C1 251085151 572542725 /nfs/dbraw/zinc/54/27/25/572542725.db2.gz IZFLSCKNCHEMNU-NXEZZACHSA-N 2 2 186.299 0.299 10 0 ACAELP CC1(C)C[NH2+]CC[C@@H]2COCC[N@@H+]21 74282727 572542831 /nfs/dbraw/zinc/54/28/31/572542831.db2.gz AFZOFMZKYUGLAX-SECBINFHSA-N 2 2 184.283 0.459 10 0 ACAELP CC1(C)C[NH2+]CC[C@@H]2COCC[N@H+]21 74282727 572542835 /nfs/dbraw/zinc/54/28/35/572542835.db2.gz AFZOFMZKYUGLAX-SECBINFHSA-N 2 2 184.283 0.459 10 0 ACAELP C[NH2+][C@@H](C)C[N@@H+]1CCCC[C@H]1CO 251146090 572543106 /nfs/dbraw/zinc/54/31/06/572543106.db2.gz XHWXJSWGSIZXKW-UWVGGRQHSA-N 2 2 186.299 0.441 10 0 ACAELP C[NH2+][C@@H](C)C[N@H+]1CCCC[C@H]1CO 251146090 572543111 /nfs/dbraw/zinc/54/31/11/572543111.db2.gz XHWXJSWGSIZXKW-UWVGGRQHSA-N 2 2 186.299 0.441 10 0 ACAELP C[NH2+][C@H](C)C[N@@H+]1CCCC[C@H]1CO 251146093 572543278 /nfs/dbraw/zinc/54/32/78/572543278.db2.gz XHWXJSWGSIZXKW-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP C[NH2+][C@H](C)C[N@H+]1CCCC[C@H]1CO 251146093 572543281 /nfs/dbraw/zinc/54/32/81/572543281.db2.gz XHWXJSWGSIZXKW-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP Cc1[nH+]c[nH]c1CN(C)CC[NH3+] 238301360 572543838 /nfs/dbraw/zinc/54/38/38/572543838.db2.gz BUQFVBDNEURSLP-UHFFFAOYSA-N 2 2 168.244 0.109 10 0 ACAELP C[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](CO)C1 251087622 572544354 /nfs/dbraw/zinc/54/43/54/572544354.db2.gz JNQGZIYMCGLUGA-NXEZZACHSA-N 2 2 186.299 0.299 10 0 ACAELP C[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](CO)C1 251087622 572544359 /nfs/dbraw/zinc/54/43/59/572544359.db2.gz JNQGZIYMCGLUGA-NXEZZACHSA-N 2 2 186.299 0.299 10 0 ACAELP C[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](CO)C1 251085154 572544613 /nfs/dbraw/zinc/54/46/13/572544613.db2.gz IZFLSCKNCHEMNU-VHSXEESVSA-N 2 2 186.299 0.299 10 0 ACAELP C[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](CO)C1 251085154 572544618 /nfs/dbraw/zinc/54/46/18/572544618.db2.gz IZFLSCKNCHEMNU-VHSXEESVSA-N 2 2 186.299 0.299 10 0 ACAELP C[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](CO)C1 251088043 572544830 /nfs/dbraw/zinc/54/48/30/572544830.db2.gz JNQGZIYMCGLUGA-VHSXEESVSA-N 2 2 186.299 0.299 10 0 ACAELP C[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](CO)C1 251088043 572544836 /nfs/dbraw/zinc/54/48/36/572544836.db2.gz JNQGZIYMCGLUGA-VHSXEESVSA-N 2 2 186.299 0.299 10 0 ACAELP C[N@@H+]1CC[C@H](C[NH2+]Cc2cnco2)C1 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FMVYQOZZOMNYDQ-UHFFFAOYSA-N 2 2 196.254 0.039 10 0 ACAELP CC(C)n1c[nH+]cc1CN(C)CC[NH3+] 85188834 572692748 /nfs/dbraw/zinc/69/27/48/572692748.db2.gz KDAKJADVCNGKRB-UHFFFAOYSA-N 2 2 196.298 0.855 10 0 ACAELP CCCn1c[nH+]cc1[C@@H](C[NH3+])N(C)C 85186766 572692840 /nfs/dbraw/zinc/69/28/40/572692840.db2.gz VIDBSWINOVRHLF-SECBINFHSA-N 2 2 196.298 0.855 10 0 ACAELP C[NH2+]C[C@H](O)c1c[nH+]cn1C1CC1 85191152 572692876 /nfs/dbraw/zinc/69/28/76/572692876.db2.gz RCNIVERLCUCWFU-VIFPVBQESA-N 2 2 181.239 0.471 10 0 ACAELP CCn1c[nH+]cc1[C@H](O)C[NH2+]C 85185611 572692952 /nfs/dbraw/zinc/69/29/52/572692952.db2.gz KKZRZRGJDVFEOX-MRVPVSSYSA-N 2 2 169.228 0.156 10 0 ACAELP CCn1c[nH+]cc1[C@@H](O)C[NH2+]C1CC1 85185629 572693006 /nfs/dbraw/zinc/69/30/06/572693006.db2.gz PXURBSJYYCIIMZ-JTQLQIEISA-N 2 2 195.266 0.688 10 0 ACAELP CC[NH2+][C@@H](C)[C@@H](O)c1c[nH+]cn1CC 85185244 572693048 /nfs/dbraw/zinc/69/30/48/572693048.db2.gz RFOZYNSAEVHLIC-WCBMZHEXSA-N 2 2 197.282 0.934 10 0 ACAELP CCO[C@H](C[NH3+])c1c[nH+]cn1CC 85185830 572693101 /nfs/dbraw/zinc/69/31/01/572693101.db2.gz JTNVYIKFFPJDRX-SECBINFHSA-N 2 2 183.255 0.939 10 0 ACAELP CCCn1c[nH+]cc1[C@@H](O)[C@@H](C)[NH3+] 85186227 572693224 /nfs/dbraw/zinc/69/32/24/572693224.db2.gz CEEMXTCHKSECLE-APPZFPTMSA-N 2 2 183.255 0.674 10 0 ACAELP C[NH2+]CCc1c[nH+]cn1C1CC1 85190217 572693268 /nfs/dbraw/zinc/69/32/68/572693268.db2.gz WVQPTZICKUAYJL-UHFFFAOYSA-N 2 2 165.240 0.980 10 0 ACAELP CC[NH2+][C@H](C)[C@H](O)c1c[nH+]cn1CC 85185243 572693372 /nfs/dbraw/zinc/69/33/72/572693372.db2.gz RFOZYNSAEVHLIC-SCZZXKLOSA-N 2 2 197.282 0.934 10 0 ACAELP CCn1c[nH+]cc1[C@H](O)C[NH2+]C(C)C 85185624 572693389 /nfs/dbraw/zinc/69/33/89/572693389.db2.gz QTUKYFOZDXQNBX-SNVBAGLBSA-N 2 2 197.282 0.934 10 0 ACAELP CCO[C@@H](C[NH3+])c1c[nH+]cn1CC 85185831 572693470 /nfs/dbraw/zinc/69/34/70/572693470.db2.gz JTNVYIKFFPJDRX-VIFPVBQESA-N 2 2 183.255 0.939 10 0 ACAELP CC[NH2+]C[C@H](O)c1c[nH+]cn1CC 85185616 572693582 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197.282 0.936 10 0 ACAELP C[N@@H+]1CC[C@@H](C(C)(C)O)[C@H]([NH3+])C1 250371971 572694242 /nfs/dbraw/zinc/69/42/42/572694242.db2.gz WBOJLJFQCFZLLI-HTQZYQBOSA-N 2 2 172.272 0.036 10 0 ACAELP C[N@H+]1CC[C@@H](C(C)(C)O)[C@H]([NH3+])C1 250371971 572694246 /nfs/dbraw/zinc/69/42/46/572694246.db2.gz WBOJLJFQCFZLLI-HTQZYQBOSA-N 2 2 172.272 0.036 10 0 ACAELP CO[C@H](C[NH3+])c1c[nH+]cn1C1CC1 85191276 572694276 /nfs/dbraw/zinc/69/42/76/572694276.db2.gz HPCXNPIKNDBCLV-SECBINFHSA-N 2 2 181.239 0.864 10 0 ACAELP CCCn1c[nH+]cc1[C@H]([NH3+])CCO 85186395 572694618 /nfs/dbraw/zinc/69/46/18/572694618.db2.gz MIZOPVWMDXBABV-MRVPVSSYSA-N 2 2 183.255 0.675 10 0 ACAELP CC[NH2+][C@H](C)[C@@H](O)c1c[nH+]cn1CC 85185245 572694824 /nfs/dbraw/zinc/69/48/24/572694824.db2.gz RFOZYNSAEVHLIC-PSASIEDQSA-N 2 2 197.282 0.934 10 0 ACAELP CCCn1c[nH+]cc1[C@H](O)C[NH3+] 85186222 572694840 /nfs/dbraw/zinc/69/48/40/572694840.db2.gz AILZLNQNUVJNIK-MRVPVSSYSA-N 2 2 169.228 0.285 10 0 ACAELP CCCn1c[nH+]cc1[C@@H]([NH3+])CO 85187279 572694851 /nfs/dbraw/zinc/69/48/51/572694851.db2.gz WUTQVXBGIIWMSZ-ZETCQYMHSA-N 2 2 169.228 0.285 10 0 ACAELP C[N@@H+]1CC[C@H](C(C)(C)O)[C@H]([NH3+])C1 250371972 572695046 /nfs/dbraw/zinc/69/50/46/572695046.db2.gz WBOJLJFQCFZLLI-JGVFFNPUSA-N 2 2 172.272 0.036 10 0 ACAELP C[N@H+]1CC[C@H](C(C)(C)O)[C@H]([NH3+])C1 250371972 572695050 /nfs/dbraw/zinc/69/50/50/572695050.db2.gz WBOJLJFQCFZLLI-JGVFFNPUSA-N 2 2 172.272 0.036 10 0 ACAELP Cn1cncc1[C@@H](C[NH3+])[NH2+]CC1CC1 85170204 572695299 /nfs/dbraw/zinc/69/52/99/572695299.db2.gz AOFGZPZFOBMOGL-SECBINFHSA-N 2 2 194.282 0.420 10 0 ACAELP Cn1c[nH+]cc1[C@@H](C[NH3+])NC1CC1 85170080 572695322 /nfs/dbraw/zinc/69/53/22/572695322.db2.gz NXHGULMZEOZKIV-MRVPVSSYSA-N 2 2 180.255 0.172 10 0 ACAELP CCCN(C)[C@H](C[NH3+])c1c[nH+]cn1C 85169930 572695344 /nfs/dbraw/zinc/69/53/44/572695344.db2.gz KXFIQOORKNMCAT-SECBINFHSA-N 2 2 196.298 0.762 10 0 ACAELP Cn1cncc1[C@H](C[NH3+])[NH2+]CC1CC1 85170206 572695427 /nfs/dbraw/zinc/69/54/27/572695427.db2.gz AOFGZPZFOBMOGL-VIFPVBQESA-N 2 2 194.282 0.420 10 0 ACAELP CCOC(=O)C[C@H]([NH3+])c1c[nH+]cn1C 85167834 572695859 /nfs/dbraw/zinc/69/58/59/572695859.db2.gz BCUOEWCLHYCIAT-ZETCQYMHSA-N 2 2 197.238 0.373 10 0 ACAELP CCCN(C)[C@@H](C[NH3+])c1c[nH+]cn1C 85169927 572696380 /nfs/dbraw/zinc/69/63/80/572696380.db2.gz KXFIQOORKNMCAT-VIFPVBQESA-N 2 2 196.298 0.762 10 0 ACAELP CC[C@H](C)[NH2+][C@H](C[NH3+])c1cncn1C 85170183 572696546 /nfs/dbraw/zinc/69/65/46/572696546.db2.gz ILJVVYIBKCCOHI-DTWKUNHWSA-N 2 2 196.298 0.808 10 0 ACAELP CC(C)N(C)[C@H](C[NH3+])c1c[nH+]cn1C 85169847 572696645 /nfs/dbraw/zinc/69/66/45/572696645.db2.gz HPCVWECIEMIQNI-SECBINFHSA-N 2 2 196.298 0.760 10 0 ACAELP CC(C)C[NH2+][C@@H](C[NH3+])c1cncn1C 85170187 572696724 /nfs/dbraw/zinc/69/67/24/572696724.db2.gz RUVIYSPDZQRMEI-VIFPVBQESA-N 2 2 196.298 0.666 10 0 ACAELP CC[C@@H](C)[NH2+][C@H](C[NH3+])c1cncn1C 85170181 572696798 /nfs/dbraw/zinc/69/67/98/572696798.db2.gz ILJVVYIBKCCOHI-RKDXNWHRSA-N 2 2 196.298 0.808 10 0 ACAELP CC[C@H](C)[NH2+][C@@H](C[NH3+])c1cncn1C 85170178 572696890 /nfs/dbraw/zinc/69/68/90/572696890.db2.gz ILJVVYIBKCCOHI-IUCAKERBSA-N 2 2 196.298 0.808 10 0 ACAELP Cn1c[nH+]cc1[C@H](C[NH3+])NC1CC1 85170083 572696961 /nfs/dbraw/zinc/69/69/61/572696961.db2.gz NXHGULMZEOZKIV-QMMMGPOBSA-N 2 2 180.255 0.172 10 0 ACAELP CC(C)C[NH2+][C@H](C[NH3+])c1cncn1C 85170189 572696972 /nfs/dbraw/zinc/69/69/72/572696972.db2.gz RUVIYSPDZQRMEI-SECBINFHSA-N 2 2 196.298 0.666 10 0 ACAELP CCN(C)[C@H](C[NH3+])c1c[nH+]cn1C 85169883 572697098 /nfs/dbraw/zinc/69/70/98/572697098.db2.gz WKWWPVUKCYPQOM-MRVPVSSYSA-N 2 2 182.271 0.372 10 0 ACAELP CCC[NH2+][C@H](C[NH3+])c1cncn1C 85170069 572697167 /nfs/dbraw/zinc/69/71/67/572697167.db2.gz OZBJSCCLVQJSNF-MRVPVSSYSA-N 2 2 182.271 0.420 10 0 ACAELP CCC[NH2+][C@@H](C[NH3+])c1cncn1C 85170066 572697352 /nfs/dbraw/zinc/69/73/52/572697352.db2.gz OZBJSCCLVQJSNF-QMMMGPOBSA-N 2 2 182.271 0.420 10 0 ACAELP CC[C@@H](C)[NH2+][C@@H](C[NH3+])c1cncn1C 85170176 572697512 /nfs/dbraw/zinc/69/75/12/572697512.db2.gz ILJVVYIBKCCOHI-BDAKNGLRSA-N 2 2 196.298 0.808 10 0 ACAELP COc1cc([C@@H]([NH3+])C[NH3+])ccc1CO 238417541 572697588 /nfs/dbraw/zinc/69/75/88/572697588.db2.gz OLXRGNODDRTYDX-VIFPVBQESA-N 2 2 196.250 0.146 10 0 ACAELP CN(C1CC1)[C@H](C[NH3+])c1c[nH+]cn1C 85169891 572697601 /nfs/dbraw/zinc/69/76/01/572697601.db2.gz PIFUAZCYPNSJSF-SECBINFHSA-N 2 2 194.282 0.514 10 0 ACAELP C[C@@]([NH3+])(C[NH2+]CCF)C1CC1 307871665 572697787 /nfs/dbraw/zinc/69/77/87/572697787.db2.gz JXOLIGCUVGIFSI-MRVPVSSYSA-N 2 2 160.236 0.673 10 0 ACAELP Cn1c[nH+]cc1[C@H](O)C[NH2+]C1CC1 85182556 572700311 /nfs/dbraw/zinc/70/03/11/572700311.db2.gz CVROHRHIRVYIQO-SECBINFHSA-N 2 2 181.239 0.206 10 0 ACAELP CCN(C)[C@@H](C[NH3+])c1c[nH+]cn1C 85169880 572697892 /nfs/dbraw/zinc/69/78/92/572697892.db2.gz WKWWPVUKCYPQOM-QMMMGPOBSA-N 2 2 182.271 0.372 10 0 ACAELP CC(C)[NH2+][C@@H](C[NH3+])c1cncn1C 85170072 572698230 /nfs/dbraw/zinc/69/82/30/572698230.db2.gz ZFISNIVZHDFKCE-QMMMGPOBSA-N 2 2 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10 0 ACAELP C[NH+](C)CCCCn1c[nH+]cc1CO 85200702 572707454 /nfs/dbraw/zinc/70/74/54/572707454.db2.gz IQRUODPSNDKNFB-UHFFFAOYSA-N 2 2 197.282 0.717 10 0 ACAELP C[C@H]([NH3+])C[C@@H]([NH3+])NNc1ccccc1 238424409 572707522 /nfs/dbraw/zinc/70/75/22/572707522.db2.gz RIZOBFYZCGHFIY-WPRPVWTQSA-N 2 2 194.282 0.625 10 0 ACAELP C[NH+](C)CCCCn1c[nH+]cc1C[NH3+] 85198429 572707596 /nfs/dbraw/zinc/70/75/96/572707596.db2.gz ZIAYHJOJXFBRNE-UHFFFAOYSA-N 3 2 196.298 0.684 10 0 ACAELP C[C@@H](O)c1ccc(NCCC[NH3+])[nH+]c1 686064863 572707629 /nfs/dbraw/zinc/70/76/29/572707629.db2.gz UOJOMQAPFHJPEM-MRVPVSSYSA-N 2 2 195.266 0.896 10 0 ACAELP C[NH+](C)CCCn1c[nH+]cc1CO 85200068 572707791 /nfs/dbraw/zinc/70/77/91/572707791.db2.gz JSVSIZYAABVWNW-UHFFFAOYSA-N 2 2 183.255 0.327 10 0 ACAELP C[C@H](O)c1ccc(NCCC[NH3+])[nH+]c1 686064864 572707853 /nfs/dbraw/zinc/70/78/53/572707853.db2.gz UOJOMQAPFHJPEM-QMMMGPOBSA-N 2 2 195.266 0.896 10 0 ACAELP COCC[N@H+](CCF)CCC[NH3+] 87774515 572708053 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0.625 10 0 ACAELP [NH3+][C@@H]1CCCC[N@@H+](CCSO)C1 527081099 572708289 /nfs/dbraw/zinc/70/82/89/572708289.db2.gz SOBWMNXIVMVEBS-MRVPVSSYSA-N 2 2 189.304 0.878 10 0 ACAELP [NH3+][C@H]1CCCC[N@H+](CCSO)C1 527081100 572708409 /nfs/dbraw/zinc/70/84/09/572708409.db2.gz SOBWMNXIVMVEBS-QMMMGPOBSA-N 2 2 189.304 0.878 10 0 ACAELP [NH3+][C@H]1CCCC[N@@H+](CCSO)C1 527081100 572708412 /nfs/dbraw/zinc/70/84/12/572708412.db2.gz SOBWMNXIVMVEBS-QMMMGPOBSA-N 2 2 189.304 0.878 10 0 ACAELP C[C@H](Cn1c[nH+]cc1CO)[NH+](C)C 85200680 572708444 /nfs/dbraw/zinc/70/84/44/572708444.db2.gz UPBCSLKULODSSG-MRVPVSSYSA-N 2 2 183.255 0.326 10 0 ACAELP OSCC[NH2+][C@@H]1CCCC[NH2+]C1 527081107 572709169 /nfs/dbraw/zinc/70/91/69/572709169.db2.gz UPKPCLDSWIJFIB-MRVPVSSYSA-N 2 2 189.304 0.797 10 0 ACAELP CC[N@H+](CCF)CCC(N)=[NH2+] 87775699 572709210 /nfs/dbraw/zinc/70/92/10/572709210.db2.gz UOOBHOMJNYCAHI-UHFFFAOYSA-N 2 2 161.224 0.604 10 0 ACAELP CC[N@@H+](CCF)CCC(N)=[NH2+] 87775699 572709211 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/nfs/dbraw/zinc/79/27/34/572792734.db2.gz PGJNXGQWHSBWPQ-SECBINFHSA-N 2 2 156.273 0.936 10 0 ACAELP CC(C)[N@H+]1CC[NH2+]C[C@@H](C)C1 49660807 572792739 /nfs/dbraw/zinc/79/27/39/572792739.db2.gz PGJNXGQWHSBWPQ-SECBINFHSA-N 2 2 156.273 0.936 10 0 ACAELP CC1(C)COC[C@H]1[N@@H+]1CC[C@](C)([NH3+])C1 405766596 572793313 /nfs/dbraw/zinc/79/33/13/572793313.db2.gz JFJDGCFJYLIYRS-KOLCDFICSA-N 2 2 198.310 0.835 10 0 ACAELP CC1(C)COC[C@H]1[N@H+]1CC[C@](C)([NH3+])C1 405766596 572793316 /nfs/dbraw/zinc/79/33/16/572793316.db2.gz JFJDGCFJYLIYRS-KOLCDFICSA-N 2 2 198.310 0.835 10 0 ACAELP C[C@@H]1C[NH2+]CC[N@H+](CC2CC2)C1 49660763 572793761 /nfs/dbraw/zinc/79/37/61/572793761.db2.gz CQDWITWFGDRZPY-SECBINFHSA-N 2 2 168.284 0.938 10 0 ACAELP C[C@@H]1C[NH2+]CC[N@@H+](CC2CC2)C1 49660763 572793763 /nfs/dbraw/zinc/79/37/63/572793763.db2.gz CQDWITWFGDRZPY-SECBINFHSA-N 2 2 168.284 0.938 10 0 ACAELP CCC[N@@H+]1CC[NH2+]C[C@@H](C)C1 49661555 572793698 /nfs/dbraw/zinc/79/36/98/572793698.db2.gz LZJVLATVXSTOIC-SECBINFHSA-N 2 2 156.273 0.938 10 0 ACAELP CCC[N@H+]1CC[NH2+]C[C@@H](C)C1 49661555 572793701 /nfs/dbraw/zinc/79/37/01/572793701.db2.gz LZJVLATVXSTOIC-SECBINFHSA-N 2 2 156.273 0.938 10 0 ACAELP CCC[N@@H+]1CC[NH2+]C[C@H](C)C1 49661554 572794526 /nfs/dbraw/zinc/79/45/26/572794526.db2.gz LZJVLATVXSTOIC-VIFPVBQESA-N 2 2 156.273 0.938 10 0 ACAELP CCC[N@H+]1CC[NH2+]C[C@H](C)C1 49661554 572794529 /nfs/dbraw/zinc/79/45/29/572794529.db2.gz LZJVLATVXSTOIC-VIFPVBQESA-N 2 2 156.273 0.938 10 0 ACAELP [NH3+]CCCOCCn1cc[nH+]c1 236228748 572794605 /nfs/dbraw/zinc/79/46/05/572794605.db2.gz REDPWHMBMWFVOW-UHFFFAOYSA-N 2 2 169.228 0.249 10 0 ACAELP CCSCC[NH2+][C@@H]1CC[NH2+]C1 307934993 572794807 /nfs/dbraw/zinc/79/48/07/572794807.db2.gz XQUFARGQFDWUHC-MRVPVSSYSA-N 2 2 174.313 0.691 10 0 ACAELP CC(C)[N@@H+]1CC[NH2+]C[C@H](C)C1 49660808 572795076 /nfs/dbraw/zinc/79/50/76/572795076.db2.gz PGJNXGQWHSBWPQ-VIFPVBQESA-N 2 2 156.273 0.936 10 0 ACAELP CC(C)[N@H+]1CC[NH2+]C[C@H](C)C1 49660808 572795080 /nfs/dbraw/zinc/79/50/80/572795080.db2.gz PGJNXGQWHSBWPQ-VIFPVBQESA-N 2 2 156.273 0.936 10 0 ACAELP [NH3+]CCC(CC[NH3+])n1cc[nH+]c1 238552742 572795547 /nfs/dbraw/zinc/79/55/47/572795547.db2.gz MVFDSGCQTUBFAK-UHFFFAOYSA-N 3 2 168.244 0.122 10 0 ACAELP CO[C@@H]1CC[N@@H+](C2(C[NH3+])CC2)C1 234846518 572795805 /nfs/dbraw/zinc/79/58/05/572795805.db2.gz WOKMVSZAVJTLFT-MRVPVSSYSA-N 2 2 170.256 0.198 10 0 ACAELP CO[C@@H]1CC[N@H+](C2(C[NH3+])CC2)C1 234846518 572795809 /nfs/dbraw/zinc/79/58/09/572795809.db2.gz WOKMVSZAVJTLFT-MRVPVSSYSA-N 2 2 170.256 0.198 10 0 ACAELP C[C@@H]1CC[N@@H+](C2CCOCC2)CC[NH2+]1 49662063 572796812 /nfs/dbraw/zinc/79/68/12/572796812.db2.gz CGUMBZFZUIJUJK-SNVBAGLBSA-N 2 2 198.310 0.849 10 0 ACAELP C[C@@H]1CC[N@H+](C2CCOCC2)CC[NH2+]1 49662063 572796816 /nfs/dbraw/zinc/79/68/16/572796816.db2.gz CGUMBZFZUIJUJK-SNVBAGLBSA-N 2 2 198.310 0.849 10 0 ACAELP C[C@H]([NH2+]CCc1[nH]cc[nH+]1)[C@@H](C)[NH3+] 308132072 572796991 /nfs/dbraw/zinc/79/69/91/572796991.db2.gz KAMACSRWNSLNOV-SFYZADRCSA-N 3 2 182.271 0.278 10 0 ACAELP C[C@H]([NH2+]CCc1ncc[nH]1)[C@@H](C)[NH3+] 308132072 572796997 /nfs/dbraw/zinc/79/69/97/572796997.db2.gz KAMACSRWNSLNOV-SFYZADRCSA-N 2 2 182.271 0.278 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[NH2+]CCc1[nH]cc[nH+]1 308132071 572797467 /nfs/dbraw/zinc/79/74/67/572797467.db2.gz KAMACSRWNSLNOV-JGVFFNPUSA-N 3 2 182.271 0.278 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[NH2+]CCc1ncc[nH]1 308132071 572797472 /nfs/dbraw/zinc/79/74/72/572797472.db2.gz KAMACSRWNSLNOV-JGVFFNPUSA-N 2 2 182.271 0.278 10 0 ACAELP COCC[NH2+]CCc1cn(C)c[nH+]1 308132147 572799079 /nfs/dbraw/zinc/79/90/79/572799079.db2.gz FMEZHKFHMNQMEY-UHFFFAOYSA-N 2 2 183.255 0.199 10 0 ACAELP OCC[N@H+](C[C@H]1CCC[NH2+]1)C1CCC1 236511482 572800569 /nfs/dbraw/zinc/80/05/69/572800569.db2.gz SJVNHRSWFVWZHG-SNVBAGLBSA-N 2 2 198.310 0.585 10 0 ACAELP OCC[N@@H+](C[C@H]1CCC[NH2+]1)C1CCC1 236511482 572800575 /nfs/dbraw/zinc/80/05/75/572800575.db2.gz SJVNHRSWFVWZHG-SNVBAGLBSA-N 2 2 198.310 0.585 10 0 ACAELP C[C@H]([NH3+])[C@H](C)[NH2+]CCc1[nH]cc[nH+]1 308132075 572800656 /nfs/dbraw/zinc/80/06/56/572800656.db2.gz KAMACSRWNSLNOV-YUMQZZPRSA-N 3 2 182.271 0.278 10 0 ACAELP C[C@H]([NH3+])[C@H](C)[NH2+]CCc1ncc[nH]1 308132075 572800667 /nfs/dbraw/zinc/80/06/67/572800667.db2.gz KAMACSRWNSLNOV-YUMQZZPRSA-N 2 2 182.271 0.278 10 0 ACAELP Cc1cc([NH3+])n(C)c1N1CC[C@H]([NH3+])C1 257567832 572801810 /nfs/dbraw/zinc/80/18/10/572801810.db2.gz BYCZBFXJSSYEPZ-QMMMGPOBSA-N 2 2 194.282 0.453 10 0 ACAELP Cc1cc([NH3+])[nH]c1N1CC[C@@H]([NH3+])C1 257570540 572801901 /nfs/dbraw/zinc/80/19/01/572801901.db2.gz UQKDQRBKEOOBME-SSDOTTSWSA-N 2 2 180.255 0.443 10 0 ACAELP Cc1cc([NH3+])[nH]c1N1CC[C@H]([NH3+])C1 257570541 572802362 /nfs/dbraw/zinc/80/23/62/572802362.db2.gz UQKDQRBKEOOBME-ZETCQYMHSA-N 2 2 180.255 0.443 10 0 ACAELP C[C@]([NH3+])(C[NH3+])c1ccccn1 117980819 572802663 /nfs/dbraw/zinc/80/26/63/572802663.db2.gz IWSHPLPUZWPNCX-QMMMGPOBSA-N 2 2 151.213 0.214 10 0 ACAELP Cc1cc([NH3+])n(C)c1N1CC[C@@H]([NH3+])C1 257567831 572803153 /nfs/dbraw/zinc/80/31/53/572803153.db2.gz BYCZBFXJSSYEPZ-MRVPVSSYSA-N 2 2 194.282 0.453 10 0 ACAELP [NH3+]Cc1cn(CCn2cc[nH+]c2)cn1 236228209 572803156 /nfs/dbraw/zinc/80/31/56/572803156.db2.gz DLSGLSPZYRIPOL-UHFFFAOYSA-N 2 2 191.238 0.239 10 0 ACAELP Cc1cc([NH3+])[nH]c1N1CC[NH+](C)CC1 257570852 572804254 /nfs/dbraw/zinc/80/42/54/572804254.db2.gz VSIJLIRYSIYDAX-UHFFFAOYSA-N 2 2 194.282 0.657 10 0 ACAELP C[C@@]([NH3+])(C[NH3+])c1ccccn1 117980816 572804435 /nfs/dbraw/zinc/80/44/35/572804435.db2.gz IWSHPLPUZWPNCX-MRVPVSSYSA-N 2 2 151.213 0.214 10 0 ACAELP CCN1[C@H](C[NH+](C)C)C[NH2+]C[C@H]1C 250263375 572804747 /nfs/dbraw/zinc/80/47/47/572804747.db2.gz KBQWDDVEYKCJAF-ZJUUUORDSA-N 2 2 185.315 0.230 10 0 ACAELP CCN1[C@@H](C)C[NH2+]C[C@H]1C[NH+](C)C 250263372 572804886 /nfs/dbraw/zinc/80/48/86/572804886.db2.gz KBQWDDVEYKCJAF-UWVGGRQHSA-N 2 2 185.315 0.230 10 0 ACAELP CN1CCC[N@@H+](C2CC2)C[C@H]1C[NH3+] 250421356 572804956 /nfs/dbraw/zinc/80/49/56/572804956.db2.gz ZHJBTMSAJBORJY-SNVBAGLBSA-N 2 2 183.299 0.114 10 0 ACAELP CN1CCC[N@H+](C2CC2)C[C@H]1C[NH3+] 250421356 572804958 /nfs/dbraw/zinc/80/49/58/572804958.db2.gz ZHJBTMSAJBORJY-SNVBAGLBSA-N 2 2 183.299 0.114 10 0 ACAELP C[C@@H]1CC[N@H+](CC[NH2+]C2CC2)[C@H]1CO 299912323 572805198 /nfs/dbraw/zinc/80/51/98/572805198.db2.gz PISGLUBNZAUWPY-KOLCDFICSA-N 2 2 198.310 0.441 10 0 ACAELP C[C@@H]1CC[N@@H+](CC[NH2+]C2CC2)[C@H]1CO 299912323 572805201 /nfs/dbraw/zinc/80/52/01/572805201.db2.gz PISGLUBNZAUWPY-KOLCDFICSA-N 2 2 198.310 0.441 10 0 ACAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ncc[nH]2)C1 49715474 572805418 /nfs/dbraw/zinc/80/54/18/572805418.db2.gz FYAMGRGPUKIFBU-VIFPVBQESA-N 2 2 194.282 0.451 10 0 ACAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2ncc[nH]2)C1 49715474 572805424 /nfs/dbraw/zinc/80/54/24/572805424.db2.gz FYAMGRGPUKIFBU-VIFPVBQESA-N 2 2 194.282 0.451 10 0 ACAELP CCOCC[N@H+](C)[C@H]1CC[NH2+][C@H]1C 308133274 572806027 /nfs/dbraw/zinc/80/60/27/572806027.db2.gz GMNNGBGEGVWNGH-UWVGGRQHSA-N 2 2 186.299 0.705 10 0 ACAELP CCOCC[N@@H+](C)[C@H]1CC[NH2+][C@H]1C 308133274 572806030 /nfs/dbraw/zinc/80/60/30/572806030.db2.gz GMNNGBGEGVWNGH-UWVGGRQHSA-N 2 2 186.299 0.705 10 0 ACAELP CCOCC[N@H+](C)[C@@H]1CC[NH2+][C@H]1C 308133275 572806193 /nfs/dbraw/zinc/80/61/93/572806193.db2.gz GMNNGBGEGVWNGH-VHSXEESVSA-N 2 2 186.299 0.705 10 0 ACAELP CCOCC[N@@H+](C)[C@@H]1CC[NH2+][C@H]1C 308133275 572806197 /nfs/dbraw/zinc/80/61/97/572806197.db2.gz GMNNGBGEGVWNGH-VHSXEESVSA-N 2 2 186.299 0.705 10 0 ACAELP C[C@H]1CC[N@H+](CC[NH2+]C2CC2)[C@H]1CO 299912324 572806272 /nfs/dbraw/zinc/80/62/72/572806272.db2.gz PISGLUBNZAUWPY-ONGXEEELSA-N 2 2 198.310 0.441 10 0 ACAELP C[C@H]1CC[N@@H+](CC[NH2+]C2CC2)[C@H]1CO 299912324 572806276 /nfs/dbraw/zinc/80/62/76/572806276.db2.gz PISGLUBNZAUWPY-ONGXEEELSA-N 2 2 198.310 0.441 10 0 ACAELP C[N@@H+]1CC[NH2+]CC[C@@H]1CF 23699157 572808573 /nfs/dbraw/zinc/80/85/73/572808573.db2.gz ABBIMOGTMPAAEN-SSDOTTSWSA-N 2 2 146.209 0.250 10 0 ACAELP C[N@H+]1CC[NH2+]CC[C@@H]1CF 23699157 572808575 /nfs/dbraw/zinc/80/85/75/572808575.db2.gz ABBIMOGTMPAAEN-SSDOTTSWSA-N 2 2 146.209 0.250 10 0 ACAELP CC(C)(O)CC[NH2+][C@H]1CCC[NH2+]C1 308137282 572809381 /nfs/dbraw/zinc/80/93/81/572809381.db2.gz IZXMBVXLTXRVGE-VIFPVBQESA-N 2 2 186.299 0.489 10 0 ACAELP COC(OC)[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] 308133401 572811973 /nfs/dbraw/zinc/81/19/73/572811973.db2.gz LWASGUQJLRXPCL-RNJXMRFFSA-N 2 2 190.287 0.319 10 0 ACAELP COC(OC)[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] 308133399 572811790 /nfs/dbraw/zinc/81/17/90/572811790.db2.gz LWASGUQJLRXPCL-FXQIFTODSA-N 2 2 190.287 0.319 10 0 ACAELP COC(OC)[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] 308133398 572812541 /nfs/dbraw/zinc/81/25/41/572812541.db2.gz LWASGUQJLRXPCL-CSMHCCOUSA-N 2 2 190.287 0.319 10 0 ACAELP C[NH+](C)CC(=O)Cc1ccc[nH+]c1N 85793122 572812683 /nfs/dbraw/zinc/81/26/83/572812683.db2.gz GONKHAHUABEMCL-UHFFFAOYSA-N 2 2 193.250 0.337 10 0 ACAELP COC(OC)[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] 308133400 572813195 /nfs/dbraw/zinc/81/31/95/572813195.db2.gz LWASGUQJLRXPCL-PRJMDXOYSA-N 2 2 190.287 0.319 10 0 ACAELP O[C@@H](C[NH2+]CC[NH+]1CCCC1)C1CC1 236525504 572813751 /nfs/dbraw/zinc/81/37/51/572813751.db2.gz NZMCZADQLAJEQN-NSHDSACASA-N 2 2 198.310 0.443 10 0 ACAELP C[NH+](C)CC(=O)Cc1cc[nH+]c(N)c1 85792955 572814949 /nfs/dbraw/zinc/81/49/49/572814949.db2.gz UMJZTXILOPCAJD-UHFFFAOYSA-N 2 2 193.250 0.337 10 0 ACAELP Cc1cc(C[C@@H]([NH3+])C[NH+](C)C)n(C)n1 85798316 572817228 /nfs/dbraw/zinc/81/72/28/572817228.db2.gz FNBMKJUKAFZVGI-SECBINFHSA-N 2 2 196.298 0.160 10 0 ACAELP COC[C@@H]([NH3+])c1cc(N)c(C)c[nH+]1 713760283 572815063 /nfs/dbraw/zinc/81/50/63/572815063.db2.gz NHTJOAAOPONKAF-MRVPVSSYSA-N 2 2 181.239 0.618 10 0 ACAELP COC[C@H]([NH3+])c1cc(N)c(C)c[nH+]1 713760285 572815446 /nfs/dbraw/zinc/81/54/46/572815446.db2.gz NHTJOAAOPONKAF-QMMMGPOBSA-N 2 2 181.239 0.618 10 0 ACAELP C[NH2+]CCN(C)Cc1[nH]cc[nH+]1 308134001 572815678 /nfs/dbraw/zinc/81/56/78/572815678.db2.gz YZWLMOGDIGHJSS-UHFFFAOYSA-N 2 2 168.244 0.061 10 0 ACAELP C[NH2+][C@H](C[NH+](C)C)C1CCOCC1 85798644 572815686 /nfs/dbraw/zinc/81/56/86/572815686.db2.gz TYUMHMYSRXLSMC-SNVBAGLBSA-N 2 2 186.299 0.563 10 0 ACAELP C[NH2+][C@@H](Cc1cnn(C)c1)C[NH+](C)C 85798759 572816050 /nfs/dbraw/zinc/81/60/50/572816050.db2.gz ZWUJYKAROCYVCS-JTQLQIEISA-N 2 2 196.298 0.112 10 0 ACAELP C[N@@H+]1CC[C@@H](Cc2cocn2)[C@H]([NH3+])C1 75122534 572816100 /nfs/dbraw/zinc/81/61/00/572816100.db2.gz CQAGEHUWGFMURH-WCBMZHEXSA-N 2 2 195.266 0.496 10 0 ACAELP C[N@H+]1CC[C@@H](Cc2cocn2)[C@H]([NH3+])C1 75122534 572816104 /nfs/dbraw/zinc/81/61/04/572816104.db2.gz CQAGEHUWGFMURH-WCBMZHEXSA-N 2 2 195.266 0.496 10 0 ACAELP C[NH+](C)C[C@H]([NH3+])Cc1cc[nH+]c(N)c1 85797950 572816112 /nfs/dbraw/zinc/81/61/12/572816112.db2.gz GPMRLNAIMIMQNY-SECBINFHSA-N 3 2 194.282 0.095 10 0 ACAELP CN(C)C[C@H]([NH3+])Cc1cc[nH+]c(N)c1 85797950 572816116 /nfs/dbraw/zinc/81/61/16/572816116.db2.gz GPMRLNAIMIMQNY-SECBINFHSA-N 2 2 194.282 0.095 10 0 ACAELP Cn1cc(C(=O)C[NH3+])cc1C[NH+](C)C 75122635 572816142 /nfs/dbraw/zinc/81/61/42/572816142.db2.gz ABQOGHCGIDLGDH-UHFFFAOYSA-N 2 2 195.266 0.228 10 0 ACAELP CC[NH2+][C@@H](C[NH+](C)C)[C@H]1CCOC1 85799340 572816167 /nfs/dbraw/zinc/81/61/67/572816167.db2.gz IHOONRXCMZSINK-UWVGGRQHSA-N 2 2 186.299 0.563 10 0 ACAELP C[NH2+][C@H](C[NH+](C)C)[C@@H]1CCOC1 85798671 572816273 /nfs/dbraw/zinc/81/62/73/572816273.db2.gz CGIYMPNNVYMPHC-RKDXNWHRSA-N 2 2 172.272 0.173 10 0 ACAELP C[NH+](C)C[C@@H]([NH3+])Cc1ccncc1 85798550 572816441 /nfs/dbraw/zinc/81/64/41/572816441.db2.gz OZBYOZHRXHEFAZ-JTQLQIEISA-N 2 2 179.267 0.513 10 0 ACAELP C[NH+](C)C[C@@H]([NH3+])Cc1cccnc1N 85798168 572816509 /nfs/dbraw/zinc/81/65/09/572816509.db2.gz HGEVRHLNYJWIKW-VIFPVBQESA-N 2 2 194.282 0.095 10 0 ACAELP Cc1nc(C[C@@H]([NH3+])C[NH+](C)C)cs1 85798262 572816539 /nfs/dbraw/zinc/81/65/39/572816539.db2.gz QTTSBAKYPWJMQH-MRVPVSSYSA-N 2 2 199.323 0.883 10 0 ACAELP Cc1nc(C[C@H]([NH3+])C[NH+](C)C)cs1 85798260 572816638 /nfs/dbraw/zinc/81/66/38/572816638.db2.gz QTTSBAKYPWJMQH-QMMMGPOBSA-N 2 2 199.323 0.883 10 0 ACAELP C[N@@H+]1CCO[C@@H]([C@H]([NH3+])CCC2CC2)C1 85796481 572816682 /nfs/dbraw/zinc/81/66/82/572816682.db2.gz OJDIDDZGLHVREF-GHMZBOCLSA-N 2 2 198.310 0.835 10 0 ACAELP C[N@H+]1CCO[C@@H]([C@H]([NH3+])CCC2CC2)C1 85796481 572816683 /nfs/dbraw/zinc/81/66/83/572816683.db2.gz OJDIDDZGLHVREF-GHMZBOCLSA-N 2 2 198.310 0.835 10 0 ACAELP C[NH2+][C@@H](Cc1ccncc1)C[NH+](C)C 85799174 572816786 /nfs/dbraw/zinc/81/67/86/572816786.db2.gz WDPSJIPVEAPCEY-NSHDSACASA-N 2 2 193.294 0.774 10 0 ACAELP C[N@@H+]1CC[C@H](Cc2cocn2)[C@H]([NH3+])C1 75122532 572816855 /nfs/dbraw/zinc/81/68/55/572816855.db2.gz CQAGEHUWGFMURH-PSASIEDQSA-N 2 2 195.266 0.496 10 0 ACAELP C[N@H+]1CC[C@H](Cc2cocn2)[C@H]([NH3+])C1 75122532 572816857 /nfs/dbraw/zinc/81/68/57/572816857.db2.gz CQAGEHUWGFMURH-PSASIEDQSA-N 2 2 195.266 0.496 10 0 ACAELP C[NH+](C)C[C@@H]([NH3+])Cc1cc[nH+]c(N)c1 85797953 572816958 /nfs/dbraw/zinc/81/69/58/572816958.db2.gz 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/nfs/dbraw/zinc/84/60/26/572846026.db2.gz AFJJZLQPYJUDCS-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP CCOCC[N@@H+](C)C[C@H](CC)[NH2+]C 87976995 572846030 /nfs/dbraw/zinc/84/60/30/572846030.db2.gz AFJJZLQPYJUDCS-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP CC[NH2+][C@H](C)C[N@H+](C)CCOCC 87976912 572846138 /nfs/dbraw/zinc/84/61/38/572846138.db2.gz DFEBYDODECCQFA-SNVBAGLBSA-N 2 2 188.315 0.953 10 0 ACAELP CC[NH2+][C@H](C)C[N@@H+](C)CCOCC 87976912 572846141 /nfs/dbraw/zinc/84/61/41/572846141.db2.gz DFEBYDODECCQFA-SNVBAGLBSA-N 2 2 188.315 0.953 10 0 ACAELP CCOCC[N@@H+](C)C[C@@H](CC)[NH2+]C 87976996 572846389 /nfs/dbraw/zinc/84/63/89/572846389.db2.gz AFJJZLQPYJUDCS-SNVBAGLBSA-N 2 2 188.315 0.953 10 0 ACAELP CC[NH2+][C@@H](C)C[N@H+](C)CCOCC 87976911 572846566 /nfs/dbraw/zinc/84/65/66/572846566.db2.gz DFEBYDODECCQFA-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP CC[NH2+][C@@H](C)C[N@@H+](C)CCOCC 87976911 572846573 /nfs/dbraw/zinc/84/65/73/572846573.db2.gz DFEBYDODECCQFA-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP CCOCC[N@H+](C)[C@@H](CC)C[NH3+] 87976281 572846617 /nfs/dbraw/zinc/84/66/17/572846617.db2.gz FYGOTWLYSSSABW-VIFPVBQESA-N 2 2 174.288 0.692 10 0 ACAELP CCOCC[N@@H+](C)[C@@H](CC)C[NH3+] 87976281 572846621 /nfs/dbraw/zinc/84/66/21/572846621.db2.gz FYGOTWLYSSSABW-VIFPVBQESA-N 2 2 174.288 0.692 10 0 ACAELP CCOCC[N@H+](C)[C@H](CC)C[NH3+] 87976284 572846980 /nfs/dbraw/zinc/84/69/80/572846980.db2.gz FYGOTWLYSSSABW-SECBINFHSA-N 2 2 174.288 0.692 10 0 ACAELP CCOCC[N@@H+](C)[C@H](CC)C[NH3+] 87976284 572846985 /nfs/dbraw/zinc/84/69/85/572846985.db2.gz FYGOTWLYSSSABW-SECBINFHSA-N 2 2 174.288 0.692 10 0 ACAELP CCOCC[N@H+](C)CC(C)(C)[NH2+]C 87977949 572847462 /nfs/dbraw/zinc/84/74/62/572847462.db2.gz YVTJWAILSDJJIH-UHFFFAOYSA-N 2 2 188.315 0.953 10 0 ACAELP CCOCC[N@@H+](C)CC(C)(C)[NH2+]C 87977949 572847467 /nfs/dbraw/zinc/84/74/67/572847467.db2.gz YVTJWAILSDJJIH-UHFFFAOYSA-N 2 2 188.315 0.953 10 0 ACAELP CC(C)OCC[N@H+](C)CC1([NH3+])CC1 87978070 572847521 /nfs/dbraw/zinc/84/75/21/572847521.db2.gz PCSDHDNQEABLHG-UHFFFAOYSA-N 2 2 186.299 0.835 10 0 ACAELP CC(C)OCC[N@@H+](C)CC1([NH3+])CC1 87978070 572847529 /nfs/dbraw/zinc/84/75/29/572847529.db2.gz PCSDHDNQEABLHG-UHFFFAOYSA-N 2 2 186.299 0.835 10 0 ACAELP C[NH2+][C@@H](C)C[N@H+](C)CCOC(C)C 87977450 572847571 /nfs/dbraw/zinc/84/75/71/572847571.db2.gz VKOCGTCQOZUYAV-JTQLQIEISA-N 2 2 188.315 0.951 10 0 ACAELP C[NH2+][C@@H](C)C[N@@H+](C)CCOC(C)C 87977450 572847576 /nfs/dbraw/zinc/84/75/76/572847576.db2.gz VKOCGTCQOZUYAV-JTQLQIEISA-N 2 2 188.315 0.951 10 0 ACAELP CCOCC[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 87977276 572847713 /nfs/dbraw/zinc/84/77/13/572847713.db2.gz YGIPKEIDZZGDOG-BDAKNGLRSA-N 2 2 174.288 0.690 10 0 ACAELP CCOCC[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 87977276 572847717 /nfs/dbraw/zinc/84/77/17/572847717.db2.gz YGIPKEIDZZGDOG-BDAKNGLRSA-N 2 2 174.288 0.690 10 0 ACAELP CCOCC[N@H+](C)C[C@H]([NH3+])C(C)C 87977302 572847734 /nfs/dbraw/zinc/84/77/34/572847734.db2.gz TUHBLZYFDXGSRJ-JTQLQIEISA-N 2 2 188.315 0.938 10 0 ACAELP CCOCC[N@@H+](C)C[C@H]([NH3+])C(C)C 87977302 572847738 /nfs/dbraw/zinc/84/77/38/572847738.db2.gz TUHBLZYFDXGSRJ-JTQLQIEISA-N 2 2 188.315 0.938 10 0 ACAELP CCOCC[N@H+](C)[C@@H](CC)C(N)=[NH2+] 87977800 572847745 /nfs/dbraw/zinc/84/77/45/572847745.db2.gz PPPOEBRRETWAIW-QMMMGPOBSA-N 2 2 187.287 0.669 10 0 ACAELP CCOCC[N@@H+](C)[C@@H](CC)C(N)=[NH2+] 87977800 572847749 /nfs/dbraw/zinc/84/77/49/572847749.db2.gz PPPOEBRRETWAIW-QMMMGPOBSA-N 2 2 187.287 0.669 10 0 ACAELP CCOCC[N@H+](C)C[C@@H]([NH3+])C(C)C 87977303 572848694 /nfs/dbraw/zinc/84/86/94/572848694.db2.gz TUHBLZYFDXGSRJ-SNVBAGLBSA-N 2 2 188.315 0.938 10 0 ACAELP CCOCC[N@@H+](C)C[C@@H]([NH3+])C(C)C 87977303 572848696 /nfs/dbraw/zinc/84/86/96/572848696.db2.gz TUHBLZYFDXGSRJ-SNVBAGLBSA-N 2 2 188.315 0.938 10 0 ACAELP C[C@@H]1CC[NH2+][C@@H]1C[N@H+](C)[C@H]1CCOC1 299897157 572848979 /nfs/dbraw/zinc/84/89/79/572848979.db2.gz ODIGXEYLNNLXED-OUAUKWLOSA-N 2 2 198.310 0.705 10 0 ACAELP C[C@@H]1CC[NH2+][C@@H]1C[N@@H+](C)[C@H]1CCOC1 299897157 572848983 /nfs/dbraw/zinc/84/89/83/572848983.db2.gz ODIGXEYLNNLXED-OUAUKWLOSA-N 2 2 198.310 0.705 10 0 ACAELP CCOCC[N@H+](C)[C@@H](C)[C@@H](C)[NH2+]C 87977337 572849042 /nfs/dbraw/zinc/84/90/42/572849042.db2.gz XMXSXEOXARQADR-ZJUUUORDSA-N 2 2 188.315 0.951 10 0 ACAELP CCOCC[N@@H+](C)[C@@H](C)[C@@H](C)[NH2+]C 87977337 572849046 /nfs/dbraw/zinc/84/90/46/572849046.db2.gz XMXSXEOXARQADR-ZJUUUORDSA-N 2 2 188.315 0.951 10 0 ACAELP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccnc1 308144742 572849107 /nfs/dbraw/zinc/84/91/07/572849107.db2.gz XDYZRXFSFFDYAQ-IUCAKERBSA-N 2 2 179.267 0.907 10 0 ACAELP CCOCC[N@H+](C)[C@H](C)[C@@H](C)[NH3+] 87977277 572849350 /nfs/dbraw/zinc/84/93/50/572849350.db2.gz YGIPKEIDZZGDOG-RKDXNWHRSA-N 2 2 174.288 0.690 10 0 ACAELP CCOCC[N@@H+](C)[C@H](C)[C@@H](C)[NH3+] 87977277 572849353 /nfs/dbraw/zinc/84/93/53/572849353.db2.gz YGIPKEIDZZGDOG-RKDXNWHRSA-N 2 2 174.288 0.690 10 0 ACAELP C[NH2+][C@H](C)C[N@H+](C)CCOC(C)C 87977449 572849421 /nfs/dbraw/zinc/84/94/21/572849421.db2.gz VKOCGTCQOZUYAV-SNVBAGLBSA-N 2 2 188.315 0.951 10 0 ACAELP C[NH2+][C@H](C)C[N@@H+](C)CCOC(C)C 87977449 572849422 /nfs/dbraw/zinc/84/94/22/572849422.db2.gz VKOCGTCQOZUYAV-SNVBAGLBSA-N 2 2 188.315 0.951 10 0 ACAELP CCOCC[N@H+](C)[C@H](C)[C@@H](C)[NH2+]C 87977338 572849445 /nfs/dbraw/zinc/84/94/45/572849445.db2.gz XMXSXEOXARQADR-NXEZZACHSA-N 2 2 188.315 0.951 10 0 ACAELP CCOCC[N@@H+](C)[C@H](C)[C@@H](C)[NH2+]C 87977338 572849450 /nfs/dbraw/zinc/84/94/50/572849450.db2.gz XMXSXEOXARQADR-NXEZZACHSA-N 2 2 188.315 0.951 10 0 ACAELP CCOCC[N@H+](C)C[C@H]1CCC[NH2+]1 87977720 572849595 /nfs/dbraw/zinc/84/95/95/572849595.db2.gz VITRIMZBNJZMBH-SNVBAGLBSA-N 2 2 186.299 0.707 10 0 ACAELP CCOCC[N@@H+](C)C[C@H]1CCC[NH2+]1 87977720 572849598 /nfs/dbraw/zinc/84/95/98/572849598.db2.gz VITRIMZBNJZMBH-SNVBAGLBSA-N 2 2 186.299 0.707 10 0 ACAELP CCOCC[N@H+](C)C[C@H]([NH3+])CC 87977254 572849608 /nfs/dbraw/zinc/84/96/08/572849608.db2.gz SMKWCYKUTYULNL-SECBINFHSA-N 2 2 174.288 0.692 10 0 ACAELP CCOCC[N@@H+](C)C[C@H]([NH3+])CC 87977254 572849612 /nfs/dbraw/zinc/84/96/12/572849612.db2.gz SMKWCYKUTYULNL-SECBINFHSA-N 2 2 174.288 0.692 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[NH2+]Cc1cccnc1 308144739 572849618 /nfs/dbraw/zinc/84/96/18/572849618.db2.gz XDYZRXFSFFDYAQ-DTWKUNHWSA-N 2 2 179.267 0.907 10 0 ACAELP C[C@@H]1CC[NH2+][C@H]1C[N@H+](C)[C@H]1CCOC1 299897158 572849846 /nfs/dbraw/zinc/84/98/46/572849846.db2.gz ODIGXEYLNNLXED-VWYCJHECSA-N 2 2 198.310 0.705 10 0 ACAELP C[C@@H]1CC[NH2+][C@H]1C[N@@H+](C)[C@H]1CCOC1 299897158 572849849 /nfs/dbraw/zinc/84/98/49/572849849.db2.gz ODIGXEYLNNLXED-VWYCJHECSA-N 2 2 198.310 0.705 10 0 ACAELP C[NH2+]C(C)(C)C[NH2+]CC(OC)OC 308145197 572849911 /nfs/dbraw/zinc/84/99/11/572849911.db2.gz XURVONSOVGKSSU-UHFFFAOYSA-N 2 2 190.287 0.193 10 0 ACAELP CCOCC[N@H+](C)C[C@@H]([NH3+])CC 87977253 572850122 /nfs/dbraw/zinc/85/01/22/572850122.db2.gz SMKWCYKUTYULNL-VIFPVBQESA-N 2 2 174.288 0.692 10 0 ACAELP CCOCC[N@@H+](C)C[C@@H]([NH3+])CC 87977253 572850123 /nfs/dbraw/zinc/85/01/23/572850123.db2.gz SMKWCYKUTYULNL-VIFPVBQESA-N 2 2 174.288 0.692 10 0 ACAELP CC(C)(C[NH3+])[NH2+]Cc1cnco1 307959647 572851028 /nfs/dbraw/zinc/85/10/28/572851028.db2.gz JLGXXTCJZMVWLJ-UHFFFAOYSA-N 2 2 169.228 0.502 10 0 ACAELP C[C@H]([NH2+]Cc1cccnc1)[C@@H](C)[NH3+] 308144735 572850259 /nfs/dbraw/zinc/85/02/59/572850259.db2.gz XDYZRXFSFFDYAQ-BDAKNGLRSA-N 2 2 179.267 0.907 10 0 ACAELP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccnc1 308144745 572850294 /nfs/dbraw/zinc/85/02/94/572850294.db2.gz XDYZRXFSFFDYAQ-RKDXNWHRSA-N 2 2 179.267 0.907 10 0 ACAELP CCOCC[N@H+](C)C[C@@H]1CCC[NH2+]1 87977719 572850436 /nfs/dbraw/zinc/85/04/36/572850436.db2.gz VITRIMZBNJZMBH-JTQLQIEISA-N 2 2 186.299 0.707 10 0 ACAELP CCOCC[N@@H+](C)C[C@@H]1CCC[NH2+]1 87977719 572850439 /nfs/dbraw/zinc/85/04/39/572850439.db2.gz VITRIMZBNJZMBH-JTQLQIEISA-N 2 2 186.299 0.707 10 0 ACAELP CCOCC[N@H+](C)[C@H](C)C[NH2+]C 87979576 572851391 /nfs/dbraw/zinc/85/13/91/572851391.db2.gz HYPIZFFSPSEXOG-SECBINFHSA-N 2 2 174.288 0.563 10 0 ACAELP CCOCC[N@@H+](C)[C@H](C)C[NH2+]C 87979576 572851393 /nfs/dbraw/zinc/85/13/93/572851393.db2.gz HYPIZFFSPSEXOG-SECBINFHSA-N 2 2 174.288 0.563 10 0 ACAELP CCOCC[N@H+](C)[C@@H](CC)C[NH2+]C 87979562 572851406 /nfs/dbraw/zinc/85/14/06/572851406.db2.gz RAXHXKQEWLFDFR-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP CCOCC[N@@H+](C)[C@@H](CC)C[NH2+]C 87979562 572851408 /nfs/dbraw/zinc/85/14/08/572851408.db2.gz RAXHXKQEWLFDFR-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP CCOCC[N@H+](C)[C@@H](C)C[NH2+]C 87979575 572851667 /nfs/dbraw/zinc/85/16/67/572851667.db2.gz HYPIZFFSPSEXOG-VIFPVBQESA-N 2 2 174.288 0.563 10 0 ACAELP CCOCC[N@@H+](C)[C@@H](C)C[NH2+]C 87979575 572851669 /nfs/dbraw/zinc/85/16/69/572851669.db2.gz HYPIZFFSPSEXOG-VIFPVBQESA-N 2 2 174.288 0.563 10 0 ACAELP COCC(C)(C)[N@H+](C)CC(N)=[NH2+] 307961225 572852022 /nfs/dbraw/zinc/85/20/22/572852022.db2.gz LMTHALQLRAMDRR-UHFFFAOYSA-N 2 2 173.260 0.279 10 0 ACAELP COCC(C)(C)[N@@H+](C)CC(N)=[NH2+] 307961225 572852027 /nfs/dbraw/zinc/85/20/27/572852027.db2.gz LMTHALQLRAMDRR-UHFFFAOYSA-N 2 2 173.260 0.279 10 0 ACAELP Nc1ccoc1C[NH+]1CCC([NH3+])CC1 257584163 572852891 /nfs/dbraw/zinc/85/28/91/572852891.db2.gz BVRHQWRPPKUGQD-UHFFFAOYSA-N 2 2 195.266 0.785 10 0 ACAELP CC[NH2+]C[C@H](C)[N@H+](C)CCOCC 87979551 572853192 /nfs/dbraw/zinc/85/31/92/572853192.db2.gz QENHSORCLKNRSI-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP CC[NH2+]C[C@H](C)[N@@H+](C)CCOCC 87979551 572853196 /nfs/dbraw/zinc/85/31/96/572853196.db2.gz QENHSORCLKNRSI-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP C[NH2+]C[C@@H](C)[N@H+](C)CCOC(C)C 87979702 572853236 /nfs/dbraw/zinc/85/32/36/572853236.db2.gz WBVFXMXBINTNCK-SNVBAGLBSA-N 2 2 188.315 0.951 10 0 ACAELP C[NH2+]C[C@@H](C)[N@@H+](C)CCOC(C)C 87979702 572853239 /nfs/dbraw/zinc/85/32/39/572853239.db2.gz WBVFXMXBINTNCK-SNVBAGLBSA-N 2 2 188.315 0.951 10 0 ACAELP CC[NH2+]C[C@@H](C)[N@H+](C)CCOCC 87979550 572853611 /nfs/dbraw/zinc/85/36/11/572853611.db2.gz QENHSORCLKNRSI-SNVBAGLBSA-N 2 2 188.315 0.953 10 0 ACAELP CC[NH2+]C[C@@H](C)[N@@H+](C)CCOCC 87979550 572853615 /nfs/dbraw/zinc/85/36/15/572853615.db2.gz QENHSORCLKNRSI-SNVBAGLBSA-N 2 2 188.315 0.953 10 0 ACAELP CC(C)(C[NH3+])[NH2+]Cc1cn[nH]c1 307960525 572853678 /nfs/dbraw/zinc/85/36/78/572853678.db2.gz KLPXQWGKMADRJG-UHFFFAOYSA-N 2 2 168.244 0.237 10 0 ACAELP C[NH2+]C[C@H](C)[N@H+](C)CCOC(C)C 87979701 572853681 /nfs/dbraw/zinc/85/36/81/572853681.db2.gz WBVFXMXBINTNCK-JTQLQIEISA-N 2 2 188.315 0.951 10 0 ACAELP C[NH2+]C[C@H](C)[N@@H+](C)CCOC(C)C 87979701 572853684 /nfs/dbraw/zinc/85/36/84/572853684.db2.gz WBVFXMXBINTNCK-JTQLQIEISA-N 2 2 188.315 0.951 10 0 ACAELP Nc1[nH]ccc1C[N@@H+]1CCC[C@H]([NH3+])C1 257584148 572853727 /nfs/dbraw/zinc/85/37/27/572853727.db2.gz BNMFHCPQJVVOEQ-VIFPVBQESA-N 2 2 194.282 0.520 10 0 ACAELP Nc1[nH]ccc1C[N@H+]1CCC[C@H]([NH3+])C1 257584148 572853732 /nfs/dbraw/zinc/85/37/32/572853732.db2.gz BNMFHCPQJVVOEQ-VIFPVBQESA-N 2 2 194.282 0.520 10 0 ACAELP CCOCC[N@H+](C)[C@H](CC)C[NH2+]C 87979563 572853914 /nfs/dbraw/zinc/85/39/14/572853914.db2.gz RAXHXKQEWLFDFR-SNVBAGLBSA-N 2 2 188.315 0.953 10 0 ACAELP CCOCC[N@@H+](C)[C@H](CC)C[NH2+]C 87979563 572853918 /nfs/dbraw/zinc/85/39/18/572853918.db2.gz RAXHXKQEWLFDFR-SNVBAGLBSA-N 2 2 188.315 0.953 10 0 ACAELP Nc1cc(C[N@@H+]2CCC[C@H]([NH3+])C2)c[nH]1 257584217 572854323 /nfs/dbraw/zinc/85/43/23/572854323.db2.gz DMXNBPQRBOIVSN-VIFPVBQESA-N 2 2 194.282 0.520 10 0 ACAELP Nc1cc(C[N@H+]2CCC[C@H]([NH3+])C2)c[nH]1 257584217 572854325 /nfs/dbraw/zinc/85/43/25/572854325.db2.gz DMXNBPQRBOIVSN-VIFPVBQESA-N 2 2 194.282 0.520 10 0 ACAELP Nc1[nH]ccc1C[N@@H+]1CCC[C@@H]([NH3+])C1 257584146 572854345 /nfs/dbraw/zinc/85/43/45/572854345.db2.gz BNMFHCPQJVVOEQ-SECBINFHSA-N 2 2 194.282 0.520 10 0 ACAELP Nc1[nH]ccc1C[N@H+]1CCC[C@@H]([NH3+])C1 257584146 572854350 /nfs/dbraw/zinc/85/43/50/572854350.db2.gz BNMFHCPQJVVOEQ-SECBINFHSA-N 2 2 194.282 0.520 10 0 ACAELP Nc1cc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c[nH]1 257584215 572854589 /nfs/dbraw/zinc/85/45/89/572854589.db2.gz DMXNBPQRBOIVSN-SECBINFHSA-N 2 2 194.282 0.520 10 0 ACAELP Nc1cc(C[N@H+]2CCC[C@@H]([NH3+])C2)c[nH]1 257584215 572854595 /nfs/dbraw/zinc/85/45/95/572854595.db2.gz DMXNBPQRBOIVSN-SECBINFHSA-N 2 2 194.282 0.520 10 0 ACAELP C[C@@H](C1CC1)[N@H+](C)CC1=[NH+]CCN1 308147639 572855411 /nfs/dbraw/zinc/85/54/11/572855411.db2.gz MPIDWVIWKHVHPT-QMMMGPOBSA-N 2 2 181.283 0.718 10 0 ACAELP C[C@@H](C1CC1)[N@@H+](C)CC1=[NH+]CCN1 308147639 572855415 /nfs/dbraw/zinc/85/54/15/572855415.db2.gz MPIDWVIWKHVHPT-QMMMGPOBSA-N 2 2 181.283 0.718 10 0 ACAELP C[NH2+]CC[N@H+](C)C(C)(C)COC 307962018 572855503 /nfs/dbraw/zinc/85/55/03/572855503.db2.gz MMXJHGBERWVELH-UHFFFAOYSA-N 2 2 174.288 0.563 10 0 ACAELP C[NH2+]CC[N@@H+](C)C(C)(C)COC 307962018 572855506 /nfs/dbraw/zinc/85/55/06/572855506.db2.gz MMXJHGBERWVELH-UHFFFAOYSA-N 2 2 174.288 0.563 10 0 ACAELP CC[NH2+][C@H](C[NH+](C)C)C1=COCC1 308146890 572855690 /nfs/dbraw/zinc/85/56/90/572855690.db2.gz ZQDDMTYQLQLZOM-SNVBAGLBSA-N 2 2 184.283 0.830 10 0 ACAELP CC[NH2+]C[C@@H]([NH3+])COC(C)(C)C 307961772 572855792 /nfs/dbraw/zinc/85/57/92/572855792.db2.gz MJPXKDIKIKSTEW-MRVPVSSYSA-N 2 2 174.288 0.738 10 0 ACAELP C[C@H](C1CC1)[N@H+](C)CC1=[NH+]CCN1 308147638 572855956 /nfs/dbraw/zinc/85/59/56/572855956.db2.gz MPIDWVIWKHVHPT-MRVPVSSYSA-N 2 2 181.283 0.718 10 0 ACAELP C[C@H](C1CC1)[N@@H+](C)CC1=[NH+]CCN1 308147638 572855959 /nfs/dbraw/zinc/85/59/59/572855959.db2.gz MPIDWVIWKHVHPT-MRVPVSSYSA-N 2 2 181.283 0.718 10 0 ACAELP CC[NH2+][C@@H](C[NH+](C)C)C1=COCC1 308146887 572858030 /nfs/dbraw/zinc/85/80/30/572858030.db2.gz ZQDDMTYQLQLZOM-JTQLQIEISA-N 2 2 184.283 0.830 10 0 ACAELP CC[N@H+](CC[NH3+])C[C@H](O)C(C)(C)C 308147731 572860844 /nfs/dbraw/zinc/86/08/44/572860844.db2.gz PCEKUPRFHZYAKS-VIFPVBQESA-N 2 2 188.315 0.674 10 0 ACAELP Cc1c([NH3+])[nH]c2c1[C@H](O)[C@@H]([NH3+])[C@@H](C)C2 257585533 572858833 /nfs/dbraw/zinc/85/88/33/572858833.db2.gz NEIZHCABSJKNLZ-LBMLEEKPSA-N 2 2 195.266 0.458 10 0 ACAELP C[NH2+]C1(C[NH2+]CCOC)CCC1 307962988 572858984 /nfs/dbraw/zinc/85/89/84/572858984.db2.gz NSRSQYLNXPOEAS-UHFFFAOYSA-N 2 2 172.272 0.365 10 0 ACAELP CC[N@H+](CC[NH3+])C[C@@H](O)C(C)(C)C 308147730 572859168 /nfs/dbraw/zinc/85/91/68/572859168.db2.gz PCEKUPRFHZYAKS-SECBINFHSA-N 2 2 188.315 0.674 10 0 ACAELP CC[N@@H+](CC[NH3+])C[C@@H](O)C(C)(C)C 308147730 572859171 /nfs/dbraw/zinc/85/91/71/572859171.db2.gz PCEKUPRFHZYAKS-SECBINFHSA-N 2 2 188.315 0.674 10 0 ACAELP [NH3+]CCc1cn(COCC2CC2)c[nH+]1 236258107 572859255 /nfs/dbraw/zinc/85/92/55/572859255.db2.gz NYWRRQNTARNZLC-UHFFFAOYSA-N 2 2 195.266 0.768 10 0 ACAELP COc1cc[nH+]cc1[C@H](O)CC[NH3+] 308148334 572859411 /nfs/dbraw/zinc/85/94/11/572859411.db2.gz PKOJUPUZEMFXGS-MRVPVSSYSA-N 2 2 182.223 0.472 10 0 ACAELP C[C@@H]([NH3+])[C@H](O)c1cc(N)[nH]c1[NH+](C)C 257584961 572859768 /nfs/dbraw/zinc/85/97/68/572859768.db2.gz HDGAACSENMHXDV-XRGYYRRGSA-N 2 2 198.270 0.044 10 0 ACAELP C[C@@H]([NH3+])[C@H](O)c1cc([NH3+])[nH]c1N(C)C 257584961 572859771 /nfs/dbraw/zinc/85/97/71/572859771.db2.gz HDGAACSENMHXDV-XRGYYRRGSA-N 2 2 198.270 0.044 10 0 ACAELP Cc1c([NH3+])[nH]c2c1[C@H](O)[C@H]([NH3+])[C@H](C)C2 257585535 572860131 /nfs/dbraw/zinc/86/01/31/572860131.db2.gz NEIZHCABSJKNLZ-NLSBCDNUSA-N 2 2 195.266 0.458 10 0 ACAELP C[C@@H]([NH3+])[C@@H](O)c1cc(N)[nH]c1[NH+](C)C 257584958 572860139 /nfs/dbraw/zinc/86/01/39/572860139.db2.gz HDGAACSENMHXDV-SVGQVSJJSA-N 2 2 198.270 0.044 10 0 ACAELP C[C@@H]([NH3+])[C@@H](O)c1cc([NH3+])[nH]c1N(C)C 257584958 572860143 /nfs/dbraw/zinc/86/01/43/572860143.db2.gz HDGAACSENMHXDV-SVGQVSJJSA-N 2 2 198.270 0.044 10 0 ACAELP C[C@H]([NH3+])[C@@H](O)c1cc(N)[nH]c1[NH+](C)C 257584963 572860224 /nfs/dbraw/zinc/86/02/24/572860224.db2.gz HDGAACSENMHXDV-YLWLKBPMSA-N 2 2 198.270 0.044 10 0 ACAELP C[C@H]([NH3+])[C@@H](O)c1cc([NH3+])[nH]c1N(C)C 257584963 572860227 /nfs/dbraw/zinc/86/02/27/572860227.db2.gz HDGAACSENMHXDV-YLWLKBPMSA-N 2 2 198.270 0.044 10 0 ACAELP [NH3+]CC[C@@H]([NH3+])NC(=O)c1ccccc1 238597642 572860476 /nfs/dbraw/zinc/86/04/76/572860476.db2.gz BQLZZOOWJRZWET-VIFPVBQESA-N 2 2 193.250 0.050 10 0 ACAELP Nc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)s1 257585515 572860494 /nfs/dbraw/zinc/86/04/94/572860494.db2.gz LVCBMBBFMGGNSY-ZETCQYMHSA-N 2 2 197.307 0.863 10 0 ACAELP Nc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)s1 257585515 572860495 /nfs/dbraw/zinc/86/04/95/572860495.db2.gz LVCBMBBFMGGNSY-ZETCQYMHSA-N 2 2 197.307 0.863 10 0 ACAELP CC[N@@H+](CC[NH3+])C[C@H](O)C(C)(C)C 308147731 572860845 /nfs/dbraw/zinc/86/08/45/572860845.db2.gz PCEKUPRFHZYAKS-VIFPVBQESA-N 2 2 188.315 0.674 10 0 ACAELP Nc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)[nH]1 257585517 572860812 /nfs/dbraw/zinc/86/08/12/572860812.db2.gz LWAWRKKLBCHDAT-QMMMGPOBSA-N 2 2 194.282 0.520 10 0 ACAELP Nc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)[nH]1 257585517 572860815 /nfs/dbraw/zinc/86/08/15/572860815.db2.gz LWAWRKKLBCHDAT-QMMMGPOBSA-N 2 2 194.282 0.520 10 0 ACAELP C[C@H]([NH3+])[C@H](O)c1cc(N)[nH]c1[NH+](C)C 257584960 572860928 /nfs/dbraw/zinc/86/09/28/572860928.db2.gz HDGAACSENMHXDV-XNCJUZBTSA-N 2 2 198.270 0.044 10 0 ACAELP C[C@H]([NH3+])[C@H](O)c1cc([NH3+])[nH]c1N(C)C 257584960 572860931 /nfs/dbraw/zinc/86/09/31/572860931.db2.gz HDGAACSENMHXDV-XNCJUZBTSA-N 2 2 198.270 0.044 10 0 ACAELP Cc1c([NH3+])[nH]c2c1[C@H](O)[C@@H]([NH3+])[C@H](C)C2 257585532 572861122 /nfs/dbraw/zinc/86/11/22/572861122.db2.gz NEIZHCABSJKNLZ-AXPZLVSJSA-N 2 2 195.266 0.458 10 0 ACAELP COc1cc[nH+]cc1[C@@H](O)CC[NH3+] 308148336 572861229 /nfs/dbraw/zinc/86/12/29/572861229.db2.gz PKOJUPUZEMFXGS-QMMMGPOBSA-N 2 2 182.223 0.472 10 0 ACAELP Cc1c([NH3+])[nH]c2c1[C@H](O)[C@H]([NH3+])[C@@H](C)C2 257585534 572861446 /nfs/dbraw/zinc/86/14/46/572861446.db2.gz NEIZHCABSJKNLZ-LVSIQRNOSA-N 2 2 195.266 0.458 10 0 ACAELP Nc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)s1 257585514 572861626 /nfs/dbraw/zinc/86/16/26/572861626.db2.gz LVCBMBBFMGGNSY-SSDOTTSWSA-N 2 2 197.307 0.863 10 0 ACAELP Nc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)s1 257585514 572861630 /nfs/dbraw/zinc/86/16/30/572861630.db2.gz LVCBMBBFMGGNSY-SSDOTTSWSA-N 2 2 197.307 0.863 10 0 ACAELP Nc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)[nH]1 257585516 572861638 /nfs/dbraw/zinc/86/16/38/572861638.db2.gz LWAWRKKLBCHDAT-MRVPVSSYSA-N 2 2 194.282 0.520 10 0 ACAELP Nc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)[nH]1 257585516 572861639 /nfs/dbraw/zinc/86/16/39/572861639.db2.gz LWAWRKKLBCHDAT-MRVPVSSYSA-N 2 2 194.282 0.520 10 0 ACAELP Nc1cc(C[N@@H+]2CC[C@H]([NH3+])C2)c[nH]1 257589728 572862316 /nfs/dbraw/zinc/86/23/16/572862316.db2.gz RCTSGBQDBRKDQD-QMMMGPOBSA-N 2 2 180.255 0.130 10 0 ACAELP Nc1cc(C[N@H+]2CC[C@H]([NH3+])C2)c[nH]1 257589728 572862320 /nfs/dbraw/zinc/86/23/20/572862320.db2.gz RCTSGBQDBRKDQD-QMMMGPOBSA-N 2 2 180.255 0.130 10 0 ACAELP Cc1[nH]c(Cn2cc[nH+]c2)[nH+]c1N 257589773 572862359 /nfs/dbraw/zinc/86/23/59/572862359.db2.gz ZJDVLWNWTQJTKY-UHFFFAOYSA-N 2 2 177.211 0.545 10 0 ACAELP CC[C@@H](C[N@H+](C)CC)[NH2+]C 50179165 572864664 /nfs/dbraw/zinc/86/46/64/572864664.db2.gz OIANNLUNXBAJGW-QMMMGPOBSA-N 2 2 144.262 0.936 10 0 ACAELP Nc1[nH]ccc1C[N@@H+]1CC[C@@H]([NH3+])C1 257589761 572863134 /nfs/dbraw/zinc/86/31/34/572863134.db2.gz XOUSFGDMXFTMIL-MRVPVSSYSA-N 2 2 180.255 0.130 10 0 ACAELP Nc1[nH]ccc1C[N@H+]1CC[C@@H]([NH3+])C1 257589761 572863137 /nfs/dbraw/zinc/86/31/37/572863137.db2.gz XOUSFGDMXFTMIL-MRVPVSSYSA-N 2 2 180.255 0.130 10 0 ACAELP Cn1c(N)c[nH+]c1Cn1cc[nH+]c1 257589581 572863281 /nfs/dbraw/zinc/86/32/81/572863281.db2.gz MVCSWIOINXKKJP-UHFFFAOYSA-N 2 2 177.211 0.247 10 0 ACAELP Cn1cccc1[C@@H]1CC[N@H+](C)C[C@H]1[NH3+] 257609045 572865852 /nfs/dbraw/zinc/86/58/52/572865852.db2.gz LPMHBYNSLSNZFM-NXEZZACHSA-N 2 2 193.294 0.772 10 0 ACAELP [NH3+]C[C@@H]([NH3+])c1ccc(CCO)cc1 238611042 572863824 /nfs/dbraw/zinc/86/38/24/572863824.db2.gz HFSMUMUSBZFPIZ-SNVBAGLBSA-N 2 2 180.251 0.180 10 0 ACAELP Nc1cocc1C[NH+]1CCC([NH3+])CC1 257586199 572863886 /nfs/dbraw/zinc/86/38/86/572863886.db2.gz VKFDNTGXYXRBSA-UHFFFAOYSA-N 2 2 195.266 0.785 10 0 ACAELP Cn1cccc1[C@@H]1CC[N@@H+](C)C[C@H]1[NH3+] 257609045 572865855 /nfs/dbraw/zinc/86/58/55/572865855.db2.gz LPMHBYNSLSNZFM-NXEZZACHSA-N 2 2 193.294 0.772 10 0 ACAELP CCC[C@H](C[N@@H+]1CC[C@H](O)C1)[NH2+]C 167989942 572864224 /nfs/dbraw/zinc/86/42/24/572864224.db2.gz YIZQENOYACPVNS-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP CCC[C@H](C[N@H+]1CC[C@H](O)C1)[NH2+]C 167989942 572864226 /nfs/dbraw/zinc/86/42/26/572864226.db2.gz YIZQENOYACPVNS-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP Nc1cc(C[N@@H+]2CC[C@@H]([NH3+])C2)c[nH]1 257589727 572864376 /nfs/dbraw/zinc/86/43/76/572864376.db2.gz RCTSGBQDBRKDQD-MRVPVSSYSA-N 2 2 180.255 0.130 10 0 ACAELP Nc1cc(C[N@H+]2CC[C@@H]([NH3+])C2)c[nH]1 257589727 572864377 /nfs/dbraw/zinc/86/43/77/572864377.db2.gz RCTSGBQDBRKDQD-MRVPVSSYSA-N 2 2 180.255 0.130 10 0 ACAELP Nc1[nH]ccc1C[N@@H+]1CC[C@H]([NH3+])C1 257589762 572864601 /nfs/dbraw/zinc/86/46/01/572864601.db2.gz XOUSFGDMXFTMIL-QMMMGPOBSA-N 2 2 180.255 0.130 10 0 ACAELP Nc1[nH]ccc1C[N@H+]1CC[C@H]([NH3+])C1 257589762 572864604 /nfs/dbraw/zinc/86/46/04/572864604.db2.gz XOUSFGDMXFTMIL-QMMMGPOBSA-N 2 2 180.255 0.130 10 0 ACAELP CC[C@@H](C[N@@H+](C)CC)[NH2+]C 50179165 572864669 /nfs/dbraw/zinc/86/46/69/572864669.db2.gz OIANNLUNXBAJGW-QMMMGPOBSA-N 2 2 144.262 0.936 10 0 ACAELP C[N@H+](CC[NH2+]C1CC1)[C@H]1CCC[C@H]1O 714569266 572864888 /nfs/dbraw/zinc/86/48/88/572864888.db2.gz OTESZCOPQCBLNU-WDEREUQCSA-N 2 2 198.310 0.584 10 0 ACAELP C[N@@H+](CC[NH2+]C1CC1)[C@H]1CCC[C@H]1O 714569266 572864890 /nfs/dbraw/zinc/86/48/90/572864890.db2.gz OTESZCOPQCBLNU-WDEREUQCSA-N 2 2 198.310 0.584 10 0 ACAELP CC(C)C(C)([NH3+])[NH3+] 71618151 572864937 /nfs/dbraw/zinc/86/49/37/572864937.db2.gz ROEBDXYXOYTQDL-UHFFFAOYSA-N 2 2 102.181 0.276 10 0 ACAELP CC[C@H](C[N@H+](C)CC)[NH2+]C 50179166 572864946 /nfs/dbraw/zinc/86/49/46/572864946.db2.gz OIANNLUNXBAJGW-MRVPVSSYSA-N 2 2 144.262 0.936 10 0 ACAELP CC[C@H](C[N@@H+](C)CC)[NH2+]C 50179166 572864948 /nfs/dbraw/zinc/86/49/48/572864948.db2.gz OIANNLUNXBAJGW-MRVPVSSYSA-N 2 2 144.262 0.936 10 0 ACAELP CC[C@@H](C[N@H+](CC)CCOC)[NH2+]C 50179629 572865430 /nfs/dbraw/zinc/86/54/30/572865430.db2.gz STBACSXUOGQYNJ-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP CC[C@@H](C[N@@H+](CC)CCOC)[NH2+]C 50179629 572865434 /nfs/dbraw/zinc/86/54/34/572865434.db2.gz STBACSXUOGQYNJ-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP CC[C@H](Cn1cc[nH+]c1)[NH2+]C 50180196 572865801 /nfs/dbraw/zinc/86/58/01/572865801.db2.gz JSIIKASSHVQIDZ-MRVPVSSYSA-N 2 2 153.229 0.881 10 0 ACAELP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1cocn1 257609042 572865860 /nfs/dbraw/zinc/86/58/60/572865860.db2.gz LGMRNUKDVBQFGU-APPZFPTMSA-N 2 2 181.239 0.626 10 0 ACAELP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1cocn1 257609042 572865864 /nfs/dbraw/zinc/86/58/64/572865864.db2.gz LGMRNUKDVBQFGU-APPZFPTMSA-N 2 2 181.239 0.626 10 0 ACAELP CC[C@@H](Cn1cc[nH+]c1)[NH2+]C 50180195 572865949 /nfs/dbraw/zinc/86/59/49/572865949.db2.gz JSIIKASSHVQIDZ-QMMMGPOBSA-N 2 2 153.229 0.881 10 0 ACAELP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1cocn1 257609044 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Cn1ccc([C@H]2CC[N@@H+](C)C[C@H]2[NH3+])n1 257609066 572870902 /nfs/dbraw/zinc/87/09/02/572870902.db2.gz OSQHUGVPZGYJPM-DTWKUNHWSA-N 2 2 194.282 0.167 10 0 ACAELP C[N@@H+]1CC[C@H](c2cn[nH]c2)[C@@H]([NH3+])C1 257609061 572870959 /nfs/dbraw/zinc/87/09/59/572870959.db2.gz NNVBDIYLLANTRP-BDAKNGLRSA-N 2 2 180.255 0.156 10 0 ACAELP C[N@H+]1CC[C@H](c2cn[nH]c2)[C@@H]([NH3+])C1 257609061 572870966 /nfs/dbraw/zinc/87/09/66/572870966.db2.gz NNVBDIYLLANTRP-BDAKNGLRSA-N 2 2 180.255 0.156 10 0 ACAELP Cn1cnc([C@H]2CC[N@H+](C)C[C@H]2[NH3+])c1 257609160 572871071 /nfs/dbraw/zinc/87/10/71/572871071.db2.gz VBCKCTVJJOIWJZ-DTWKUNHWSA-N 2 2 194.282 0.167 10 0 ACAELP Cn1cnc([C@H]2CC[N@@H+](C)C[C@H]2[NH3+])c1 257609160 572871072 /nfs/dbraw/zinc/87/10/72/572871072.db2.gz VBCKCTVJJOIWJZ-DTWKUNHWSA-N 2 2 194.282 0.167 10 0 ACAELP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1ncc[nH]1 257609164 572871156 /nfs/dbraw/zinc/87/11/56/572871156.db2.gz VEFKNXCTEAALBV-SFYZADRCSA-N 2 2 180.255 0.361 10 0 ACAELP CN1CC[C@H](C[NH3+])[C@H]1c1[nH]cc[nH+]1 257609164 572871159 /nfs/dbraw/zinc/87/11/59/572871159.db2.gz VEFKNXCTEAALBV-SFYZADRCSA-N 2 2 180.255 0.361 10 0 ACAELP C[N@H+]1CCC[C@@]2(CC[C@@H](O)CC[NH2+]2)C1 257610464 572871215 /nfs/dbraw/zinc/87/12/15/572871215.db2.gz DAVZCCGOILXYIM-GHMZBOCLSA-N 2 2 198.310 0.585 10 0 ACAELP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1cc[nH]n1 257609188 572871284 /nfs/dbraw/zinc/87/12/84/572871284.db2.gz ZRHMTJIMMBEBNS-APPZFPTMSA-N 2 2 180.255 0.361 10 0 ACAELP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1cc[nH]n1 257609188 572871289 /nfs/dbraw/zinc/87/12/89/572871289.db2.gz ZRHMTJIMMBEBNS-APPZFPTMSA-N 2 2 180.255 0.361 10 0 ACAELP C[N@@H+]1CC[C@H](c2cc[nH]c2)[C@@H]([NH3+])C1 257609187 572871461 /nfs/dbraw/zinc/87/14/61/572871461.db2.gz ZEIGUXQEVFOGDH-ZJUUUORDSA-N 2 2 179.267 0.761 10 0 ACAELP C[N@H+]1CC[C@H](c2cc[nH]c2)[C@@H]([NH3+])C1 257609187 572871462 /nfs/dbraw/zinc/87/14/62/572871462.db2.gz ZEIGUXQEVFOGDH-ZJUUUORDSA-N 2 2 179.267 0.761 10 0 ACAELP C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@H]1c1cncs1 257610820 572871892 /nfs/dbraw/zinc/87/18/92/572871892.db2.gz OJAZZNSSCAETKJ-DHJWIAQBSA-N 2 2 195.291 0.703 10 0 ACAELP C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@H]1c1cncs1 257610820 572871896 /nfs/dbraw/zinc/87/18/96/572871896.db2.gz OJAZZNSSCAETKJ-DHJWIAQBSA-N 2 2 195.291 0.703 10 0 ACAELP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1cnccn1 257609182 572872068 /nfs/dbraw/zinc/87/20/68/572872068.db2.gz XSCROHKUGFHNRT-SCZZXKLOSA-N 2 2 192.266 0.428 10 0 ACAELP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1cnccn1 257609182 572872071 /nfs/dbraw/zinc/87/20/71/572872071.db2.gz XSCROHKUGFHNRT-SCZZXKLOSA-N 2 2 192.266 0.428 10 0 ACAELP Nc1ccc(OCCC[NH3+])c[nH+]1 307967044 572872127 /nfs/dbraw/zinc/87/21/27/572872127.db2.gz SEMAWCOVLBCXLJ-UHFFFAOYSA-N 2 2 167.212 0.391 10 0 ACAELP Cn1ccc([C@@H]2CC[N@H+](C)C[C@H]2[NH3+])n1 257609067 572872163 /nfs/dbraw/zinc/87/21/63/572872163.db2.gz OSQHUGVPZGYJPM-RKDXNWHRSA-N 2 2 194.282 0.167 10 0 ACAELP Cn1ccc([C@@H]2CC[N@@H+](C)C[C@H]2[NH3+])n1 257609067 572872166 /nfs/dbraw/zinc/87/21/66/572872166.db2.gz OSQHUGVPZGYJPM-RKDXNWHRSA-N 2 2 194.282 0.167 10 0 ACAELP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1c[nH]cn1 257609071 572872188 /nfs/dbraw/zinc/87/21/88/572872188.db2.gz PCKQWBDSOHVIAT-CBAPKCEASA-N 2 2 180.255 0.361 10 0 ACAELP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1c[nH]cn1 257609071 572872191 /nfs/dbraw/zinc/87/21/91/572872191.db2.gz PCKQWBDSOHVIAT-CBAPKCEASA-N 2 2 180.255 0.361 10 0 ACAELP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1cnc[nH]1 257609071 572872194 /nfs/dbraw/zinc/87/21/94/572872194.db2.gz PCKQWBDSOHVIAT-CBAPKCEASA-N 2 2 180.255 0.361 10 0 ACAELP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1cnc[nH]1 257609071 572872202 /nfs/dbraw/zinc/87/22/02/572872202.db2.gz PCKQWBDSOHVIAT-CBAPKCEASA-N 2 2 180.255 0.361 10 0 ACAELP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1Cc1[nH]cc[nH+]1 257608945 572872862 /nfs/dbraw/zinc/87/28/62/572872862.db2.gz BYOHEBRASDCXQL-DTWKUNHWSA-N 3 2 194.282 0.231 10 0 ACAELP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1Cc1[nH]cc[nH+]1 257608945 572872864 /nfs/dbraw/zinc/87/28/64/572872864.db2.gz BYOHEBRASDCXQL-DTWKUNHWSA-N 3 2 194.282 0.231 10 0 ACAELP Cn1nccc1[C@@H]1CC[N@H+](C)C[C@H]1[NH3+] 257608938 572872845 /nfs/dbraw/zinc/87/28/45/572872845.db2.gz BOLRNVAUMKBKTF-RKDXNWHRSA-N 2 2 194.282 0.167 10 0 ACAELP Cn1nccc1[C@@H]1CC[N@@H+](C)C[C@H]1[NH3+] 257608938 572872849 /nfs/dbraw/zinc/87/28/49/572872849.db2.gz BOLRNVAUMKBKTF-RKDXNWHRSA-N 2 2 194.282 0.167 10 0 ACAELP Cc1n[nH]cc1[C@@H]1CC[N@@H+](C)C[C@H]1[NH3+] 257608972 572872894 /nfs/dbraw/zinc/87/28/94/572872894.db2.gz GMMROVLAPQOPKO-WCBMZHEXSA-N 2 2 194.282 0.465 10 0 ACAELP Cc1n[nH]cc1[C@@H]1CC[N@H+](C)C[C@H]1[NH3+] 257608972 572872900 /nfs/dbraw/zinc/87/29/00/572872900.db2.gz GMMROVLAPQOPKO-WCBMZHEXSA-N 2 2 194.282 0.465 10 0 ACAELP C[N@@H+]1CC[C@H](c2ccncn2)[C@@H]([NH3+])C1 257608927 572873138 /nfs/dbraw/zinc/87/31/38/572873138.db2.gz AXKULDZQANQYSJ-IUCAKERBSA-N 2 2 192.266 0.223 10 0 ACAELP C[N@H+]1CC[C@H](c2ccncn2)[C@@H]([NH3+])C1 257608927 572873144 /nfs/dbraw/zinc/87/31/44/572873144.db2.gz AXKULDZQANQYSJ-IUCAKERBSA-N 2 2 192.266 0.223 10 0 ACAELP C[NH2+]CCCCc1cn(C)c[nH+]1 307967288 572873220 /nfs/dbraw/zinc/87/32/20/572873220.db2.gz SJILDUZTHAJWAR-UHFFFAOYSA-N 2 2 167.256 0.962 10 0 ACAELP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccon1 257608986 572873296 /nfs/dbraw/zinc/87/32/96/572873296.db2.gz HHTJDTZAOSKJQN-CBAPKCEASA-N 2 2 181.239 0.626 10 0 ACAELP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccon1 257608986 572873303 /nfs/dbraw/zinc/87/33/03/572873303.db2.gz HHTJDTZAOSKJQN-CBAPKCEASA-N 2 2 181.239 0.626 10 0 ACAELP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1Cc1[nH]cc[nH+]1 257608947 572873417 /nfs/dbraw/zinc/87/34/17/572873417.db2.gz BYOHEBRASDCXQL-RKDXNWHRSA-N 3 2 194.282 0.231 10 0 ACAELP C[N@H+]1CC[C@H](C[NH3+])[C@H]1Cc1[nH]cc[nH+]1 257608947 572873419 /nfs/dbraw/zinc/87/34/19/572873419.db2.gz BYOHEBRASDCXQL-RKDXNWHRSA-N 3 2 194.282 0.231 10 0 ACAELP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1ccon1 257608983 572873512 /nfs/dbraw/zinc/87/35/12/572873512.db2.gz HHTJDTZAOSKJQN-APPZFPTMSA-N 2 2 181.239 0.626 10 0 ACAELP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1ccon1 257608983 572873516 /nfs/dbraw/zinc/87/35/16/572873516.db2.gz HHTJDTZAOSKJQN-APPZFPTMSA-N 2 2 181.239 0.626 10 0 ACAELP C[N@H+]1CC[C@@H](c2cccnn2)[C@@H]([NH3+])C1 257608890 572874529 /nfs/dbraw/zinc/87/45/29/572874529.db2.gz ACGUAEPYOGEUSR-BDAKNGLRSA-N 2 2 192.266 0.223 10 0 ACAELP C[N@@H+]1CC[C@@H](O)CC[C@]12CC[NH2+]C2 257608960 572873761 /nfs/dbraw/zinc/87/37/61/572873761.db2.gz DJHPWCKVRFTMIY-VHSXEESVSA-N 2 2 184.283 0.195 10 0 ACAELP C[N@H+]1CC[C@@H](O)CC[C@]12CC[NH2+]C2 257608960 572873765 /nfs/dbraw/zinc/87/37/65/572873765.db2.gz DJHPWCKVRFTMIY-VHSXEESVSA-N 2 2 184.283 0.195 10 0 ACAELP Cc1c[nH]nc1[C@@H]1CC[N@@H+](C)C[C@H]1[NH3+] 257609021 572873857 /nfs/dbraw/zinc/87/38/57/572873857.db2.gz JHQQMWOLRBXIDE-RKDXNWHRSA-N 2 2 194.282 0.465 10 0 ACAELP Cc1c[nH]nc1[C@@H]1CC[N@H+](C)C[C@H]1[NH3+] 257609021 572873861 /nfs/dbraw/zinc/87/38/61/572873861.db2.gz JHQQMWOLRBXIDE-RKDXNWHRSA-N 2 2 194.282 0.465 10 0 ACAELP CC[NH2+][C@H](C[NH3+])c1ccco1 50270177 572874109 /nfs/dbraw/zinc/87/41/09/572874109.db2.gz WNPMSVOBUQIQOA-SSDOTTSWSA-N 2 2 154.213 0.889 10 0 ACAELP CN1CC[C@@H](c2c[nH+]c[nH]2)[C@@H]([NH3+])C1 257608900 572874346 /nfs/dbraw/zinc/87/43/46/572874346.db2.gz AFJXZKUUJOPCHE-SFYZADRCSA-N 2 2 180.255 0.156 10 0 ACAELP Cc1n[nH]cc1[C@H]1CC[N@@H+](C)C[C@H]1[NH3+] 257608971 572874360 /nfs/dbraw/zinc/87/43/60/572874360.db2.gz GMMROVLAPQOPKO-PSASIEDQSA-N 2 2 194.282 0.465 10 0 ACAELP Cc1n[nH]cc1[C@H]1CC[N@H+](C)C[C@H]1[NH3+] 257608971 572874362 /nfs/dbraw/zinc/87/43/62/572874362.db2.gz GMMROVLAPQOPKO-PSASIEDQSA-N 2 2 194.282 0.465 10 0 ACAELP Cc1[nH]c([C@@H]2CCN(C)C[C@H]2[NH3+])c[nH+]1 257609009 572874469 /nfs/dbraw/zinc/87/44/69/572874469.db2.gz IITHUNGOADCWET-RKDXNWHRSA-N 2 2 194.282 0.465 10 0 ACAELP Cc1[nH]cc([C@@H]2CCN(C)C[C@H]2[NH3+])[nH+]1 257609009 572874474 /nfs/dbraw/zinc/87/44/74/572874474.db2.gz IITHUNGOADCWET-RKDXNWHRSA-N 2 2 194.282 0.465 10 0 ACAELP C[N@@H+]1CC[C@@H](c2cccnn2)[C@@H]([NH3+])C1 257608890 572874525 /nfs/dbraw/zinc/87/45/25/572874525.db2.gz ACGUAEPYOGEUSR-BDAKNGLRSA-N 2 2 192.266 0.223 10 0 ACAELP CO[C@H](C)CC[NH2+]CC[NH+](C)C 308161566 572874572 /nfs/dbraw/zinc/87/45/72/572874572.db2.gz RSULMOAEJOUFCS-SECBINFHSA-N 2 2 174.288 0.563 10 0 ACAELP Cc1cc([C@@H]2CC[N@@H+](C)C[C@H]2[NH3+])[nH]n1 257608951 572874670 /nfs/dbraw/zinc/87/46/70/572874670.db2.gz CUZCKNZBJPXXDF-RKDXNWHRSA-N 2 2 194.282 0.465 10 0 ACAELP Cc1cc([C@@H]2CC[N@H+](C)C[C@H]2[NH3+])[nH]n1 257608951 572874674 /nfs/dbraw/zinc/87/46/74/572874674.db2.gz CUZCKNZBJPXXDF-RKDXNWHRSA-N 2 2 194.282 0.465 10 0 ACAELP CC[NH2+][C@@H](C[NH3+])c1ccco1 50270176 572874861 /nfs/dbraw/zinc/87/48/61/572874861.db2.gz WNPMSVOBUQIQOA-ZETCQYMHSA-N 2 2 154.213 0.889 10 0 ACAELP Cn1ccc([C@H]2CC[N@H+](C)C[C@H]2[NH3+])c1 257608953 572874987 /nfs/dbraw/zinc/87/49/87/572874987.db2.gz DGFCUGVLMCKKCX-GHMZBOCLSA-N 2 2 193.294 0.772 10 0 ACAELP Cn1ccc([C@H]2CC[N@@H+](C)C[C@H]2[NH3+])c1 257608953 572874990 /nfs/dbraw/zinc/87/49/90/572874990.db2.gz DGFCUGVLMCKKCX-GHMZBOCLSA-N 2 2 193.294 0.772 10 0 ACAELP Cc1[nH]cc([C@H]2CCN(C)C[C@H]2[NH3+])[nH+]1 257609006 572875135 /nfs/dbraw/zinc/87/51/35/572875135.db2.gz IITHUNGOADCWET-DTWKUNHWSA-N 2 2 194.282 0.465 10 0 ACAELP Cc1[nH]c([C@H]2CCN(C)C[C@H]2[NH3+])c[nH+]1 257609006 572875131 /nfs/dbraw/zinc/87/51/31/572875131.db2.gz IITHUNGOADCWET-DTWKUNHWSA-N 2 2 194.282 0.465 10 0 ACAELP C[N@@H+]1CC[C@H](O)CC[C@]12CC[NH2+]C2 257608958 572875569 /nfs/dbraw/zinc/87/55/69/572875569.db2.gz DJHPWCKVRFTMIY-NXEZZACHSA-N 2 2 184.283 0.195 10 0 ACAELP C[N@H+]1CC[C@H](O)CC[C@]12CC[NH2+]C2 257608958 572875573 /nfs/dbraw/zinc/87/55/73/572875573.db2.gz DJHPWCKVRFTMIY-NXEZZACHSA-N 2 2 184.283 0.195 10 0 ACAELP Cc1cc([C@H]2CC[N@@H+](C)C[C@H]2[NH3+])[nH]n1 257608949 572875696 /nfs/dbraw/zinc/87/56/96/572875696.db2.gz CUZCKNZBJPXXDF-DTWKUNHWSA-N 2 2 194.282 0.465 10 0 ACAELP Cc1cc([C@H]2CC[N@H+](C)C[C@H]2[NH3+])[nH]n1 257608949 572875698 /nfs/dbraw/zinc/87/56/98/572875698.db2.gz CUZCKNZBJPXXDF-DTWKUNHWSA-N 2 2 194.282 0.465 10 0 ACAELP Cn1ccc([C@@H]2CC[N@H+](C)C[C@H]2[NH3+])c1 257608956 572875757 /nfs/dbraw/zinc/87/57/57/572875757.db2.gz DGFCUGVLMCKKCX-WDEREUQCSA-N 2 2 193.294 0.772 10 0 ACAELP Cn1ccc([C@@H]2CC[N@@H+](C)C[C@H]2[NH3+])c1 257608956 572875761 /nfs/dbraw/zinc/87/57/61/572875761.db2.gz DGFCUGVLMCKKCX-WDEREUQCSA-N 2 2 193.294 0.772 10 0 ACAELP C[N@@H+]1CC[C@@H](c2cc[nH]n2)[C@@H]([NH3+])C1 257609001 572875796 /nfs/dbraw/zinc/87/57/96/572875796.db2.gz HWQINVVVXGAGRY-SFYZADRCSA-N 2 2 180.255 0.156 10 0 ACAELP C[N@H+]1CC[C@@H](c2cc[nH]n2)[C@@H]([NH3+])C1 257609001 572875800 /nfs/dbraw/zinc/87/58/00/572875800.db2.gz HWQINVVVXGAGRY-SFYZADRCSA-N 2 2 180.255 0.156 10 0 ACAELP C[N@@H+]1CC[C@H](c2cccnn2)[C@@H]([NH3+])C1 257608895 572875851 /nfs/dbraw/zinc/87/58/51/572875851.db2.gz ACGUAEPYOGEUSR-IUCAKERBSA-N 2 2 192.266 0.223 10 0 ACAELP C[N@H+]1CC[C@H](c2cccnn2)[C@@H]([NH3+])C1 257608895 572875853 /nfs/dbraw/zinc/87/58/53/572875853.db2.gz ACGUAEPYOGEUSR-IUCAKERBSA-N 2 2 192.266 0.223 10 0 ACAELP C[N@@H+]1CC[C@H](c2cc[nH]n2)[C@@H]([NH3+])C1 257609004 572876159 /nfs/dbraw/zinc/87/61/59/572876159.db2.gz HWQINVVVXGAGRY-YUMQZZPRSA-N 2 2 180.255 0.156 10 0 ACAELP Cc1c[nH]nc1[C@H]1CC[N@@H+](C)C[C@H]1[NH3+] 257609019 572875975 /nfs/dbraw/zinc/87/59/75/572875975.db2.gz JHQQMWOLRBXIDE-DTWKUNHWSA-N 2 2 194.282 0.465 10 0 ACAELP Cc1c[nH]nc1[C@H]1CC[N@H+](C)C[C@H]1[NH3+] 257609019 572875978 /nfs/dbraw/zinc/87/59/78/572875978.db2.gz JHQQMWOLRBXIDE-DTWKUNHWSA-N 2 2 194.282 0.465 10 0 ACAELP C[N@H+]1CC[C@@H](c2ccncn2)[C@@H]([NH3+])C1 257608924 572876088 /nfs/dbraw/zinc/87/60/88/572876088.db2.gz AXKULDZQANQYSJ-BDAKNGLRSA-N 2 2 192.266 0.223 10 0 ACAELP C[N@H+]1CC[C@H](c2cc[nH]n2)[C@@H]([NH3+])C1 257609004 572876164 /nfs/dbraw/zinc/87/61/64/572876164.db2.gz HWQINVVVXGAGRY-YUMQZZPRSA-N 2 2 180.255 0.156 10 0 ACAELP CC[NH2+]CC[NH2+]CCn1cc[nH+]c1 308161380 572876208 /nfs/dbraw/zinc/87/62/08/572876208.db2.gz AMYYJWDCHAPZLF-UHFFFAOYSA-N 3 2 182.271 0.082 10 0 ACAELP CC[NH2+]CC[NH2+]C[C@H](CC)OC 308161974 572876925 /nfs/dbraw/zinc/87/69/25/572876925.db2.gz RSYQGXDSVQIEQA-VIFPVBQESA-N 2 2 174.288 0.611 10 0 ACAELP CC[N@H+](CCO)Cc1cc(N)cc[nH+]1 86134540 572877547 /nfs/dbraw/zinc/87/75/47/572877547.db2.gz RZCKJWLUBLMHBP-UHFFFAOYSA-N 2 2 195.266 0.478 10 0 ACAELP CC[N@@H+](CCO)Cc1cc(N)cc[nH+]1 86134540 572877549 /nfs/dbraw/zinc/87/75/49/572877549.db2.gz RZCKJWLUBLMHBP-UHFFFAOYSA-N 2 2 195.266 0.478 10 0 ACAELP C[C@H](O)C[N@H+](C)Cc1cc(N)cc[nH+]1 86134636 572879528 /nfs/dbraw/zinc/87/95/28/572879528.db2.gz CTIKFOAOQDOOHO-QMMMGPOBSA-N 2 2 195.266 0.476 10 0 ACAELP C[C@H](O)C[N@@H+](C)Cc1cc(N)cc[nH+]1 86134636 572879529 /nfs/dbraw/zinc/87/95/29/572879529.db2.gz CTIKFOAOQDOOHO-QMMMGPOBSA-N 2 2 195.266 0.476 10 0 ACAELP CNc1cc[nH+]c(C[N@H+](C)CCO)c1 86134537 572879976 /nfs/dbraw/zinc/87/99/76/572879976.db2.gz MGLIRSFJJPXGTI-UHFFFAOYSA-N 2 2 195.266 0.547 10 0 ACAELP CNc1cc[nH+]c(C[N@@H+](C)CCO)c1 86134537 572879979 /nfs/dbraw/zinc/87/99/79/572879979.db2.gz MGLIRSFJJPXGTI-UHFFFAOYSA-N 2 2 195.266 0.547 10 0 ACAELP C[C@@H](O)C[N@H+](C)Cc1cc(N)cc[nH+]1 86134637 572880079 /nfs/dbraw/zinc/88/00/79/572880079.db2.gz CTIKFOAOQDOOHO-MRVPVSSYSA-N 2 2 195.266 0.476 10 0 ACAELP C[C@@H](O)C[N@@H+](C)Cc1cc(N)cc[nH+]1 86134637 572880081 /nfs/dbraw/zinc/88/00/81/572880081.db2.gz CTIKFOAOQDOOHO-MRVPVSSYSA-N 2 2 195.266 0.476 10 0 ACAELP CC[C@H](C[NH2+]C[C@H](C)[NH2+]C)OC 308159667 572881321 /nfs/dbraw/zinc/88/13/21/572881321.db2.gz QSPYGAQEDWOEFW-DTWKUNHWSA-N 2 2 174.288 0.609 10 0 ACAELP C[C@H]([NH3+])/C=C\c1c[nH+]cn1C 393642659 572881442 /nfs/dbraw/zinc/88/14/42/572881442.db2.gz ZCAHSCWASNELEE-AVALRIAPSA-N 2 2 151.213 0.781 10 0 ACAELP C[C@@H]([NH3+])/C=C\c1c[nH+]cn1C 393642660 572881953 /nfs/dbraw/zinc/88/19/53/572881953.db2.gz ZCAHSCWASNELEE-KFOINNEUSA-N 2 2 151.213 0.781 10 0 ACAELP CC(C)(C[NH3+])[NH2+]Cc1cc[nH]n1 307967911 572881960 /nfs/dbraw/zinc/88/19/60/572881960.db2.gz UCASOAYAOVVIBT-UHFFFAOYSA-N 2 2 168.244 0.237 10 0 ACAELP COc1cc[nH+]cc1COCC[NH3+] 308160628 572883054 /nfs/dbraw/zinc/88/30/54/572883054.db2.gz WNFYRSCYCONOGA-UHFFFAOYSA-N 2 2 182.223 0.566 10 0 ACAELP Cc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)nc[nH+]1 235391847 572883604 /nfs/dbraw/zinc/88/36/04/572883604.db2.gz VKEADXBQABBLLR-APPZFPTMSA-N 2 2 192.266 0.568 10 0 ACAELP C[C@H]1C[N@@H+](C2CC2)C[C@H](C[NH3+])O1 71496526 572883811 /nfs/dbraw/zinc/88/38/11/572883811.db2.gz AGHCTUGZTXGSDB-CBAPKCEASA-N 2 2 170.256 0.197 10 0 ACAELP C[C@H]1C[N@H+](C2CC2)C[C@H](C[NH3+])O1 71496526 572883813 /nfs/dbraw/zinc/88/38/13/572883813.db2.gz AGHCTUGZTXGSDB-CBAPKCEASA-N 2 2 170.256 0.197 10 0 ACAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H](C[NH3+])O1 71496523 572884780 /nfs/dbraw/zinc/88/47/80/572884780.db2.gz AGHCTUGZTXGSDB-APPZFPTMSA-N 2 2 170.256 0.197 10 0 ACAELP C[C@@H]1C[N@H+](C2CC2)C[C@H](C[NH3+])O1 71496523 572884781 /nfs/dbraw/zinc/88/47/81/572884781.db2.gz AGHCTUGZTXGSDB-APPZFPTMSA-N 2 2 170.256 0.197 10 0 ACAELP Cn1cc(N)[nH+]c1CC[NH+](C)C 75620447 572886183 /nfs/dbraw/zinc/88/61/83/572886183.db2.gz LNKLWTNEGBLXCL-UHFFFAOYSA-N 2 2 168.244 0.106 10 0 ACAELP Cn1cc(N)[nH+]c1CC[NH+]1CCCC1 75620440 572887030 /nfs/dbraw/zinc/88/70/30/572887030.db2.gz GJMVVEHJVZHLGI-UHFFFAOYSA-N 2 2 194.282 0.641 10 0 ACAELP COCC[N@H+](C)C[C@H]([NH3+])CC1CC1 308169965 572888534 /nfs/dbraw/zinc/88/85/34/572888534.db2.gz CCRKJJPJHLNHHL-SNVBAGLBSA-N 2 2 186.299 0.692 10 0 ACAELP COCC[N@@H+](C)C[C@H]([NH3+])CC1CC1 308169965 572888538 /nfs/dbraw/zinc/88/85/38/572888538.db2.gz CCRKJJPJHLNHHL-SNVBAGLBSA-N 2 2 186.299 0.692 10 0 ACAELP COCC[N@H+](C)C[C@@H]([NH3+])CC1CC1 308169964 572889632 /nfs/dbraw/zinc/88/96/32/572889632.db2.gz CCRKJJPJHLNHHL-JTQLQIEISA-N 2 2 186.299 0.692 10 0 ACAELP COCC[N@@H+](C)C[C@@H]([NH3+])CC1CC1 308169964 572889637 /nfs/dbraw/zinc/88/96/37/572889637.db2.gz CCRKJJPJHLNHHL-JTQLQIEISA-N 2 2 186.299 0.692 10 0 ACAELP C[N@@H+]1CC[C@@H](c2c[nH]oc2=O)[C@@H]([NH3+])C1 257615241 572892459 /nfs/dbraw/zinc/89/24/59/572892459.db2.gz DOPHBIZABKWZGM-XPUUQOCRSA-N 2 2 197.238 0.127 10 0 ACAELP C[N@H+]1CC[C@@H](c2c[nH]oc2=O)[C@@H]([NH3+])C1 257615241 572892463 /nfs/dbraw/zinc/89/24/63/572892463.db2.gz DOPHBIZABKWZGM-XPUUQOCRSA-N 2 2 197.238 0.127 10 0 ACAELP C[N@@H+]1CCCC[C@@]2(C[C@@H](O)CC[NH2+]2)C1 257615269 572893237 /nfs/dbraw/zinc/89/32/37/572893237.db2.gz XCTGZLPNPCQLOO-WDEREUQCSA-N 2 2 198.310 0.585 10 0 ACAELP C[N@H+]1CCCC[C@@]2(C[C@@H](O)CC[NH2+]2)C1 257615269 572893239 /nfs/dbraw/zinc/89/32/39/572893239.db2.gz XCTGZLPNPCQLOO-WDEREUQCSA-N 2 2 198.310 0.585 10 0 ACAELP C[N@@H+]1CC[C@H](c2c[nH]oc2=O)[C@@H]([NH3+])C1 257615240 572893266 /nfs/dbraw/zinc/89/32/66/572893266.db2.gz DOPHBIZABKWZGM-SVRRBLITSA-N 2 2 197.238 0.127 10 0 ACAELP C[N@H+]1CC[C@H](c2c[nH]oc2=O)[C@@H]([NH3+])C1 257615240 572893268 /nfs/dbraw/zinc/89/32/68/572893268.db2.gz DOPHBIZABKWZGM-SVRRBLITSA-N 2 2 197.238 0.127 10 0 ACAELP COCC[NH2+]C/C=C/c1c[nH+]cn1C 86228469 572893432 /nfs/dbraw/zinc/89/34/32/572893432.db2.gz MHEIEQCELHERJL-ONEGZZNKSA-N 2 2 195.266 0.669 10 0 ACAELP C[NH2+]C[C@H]1CC[C@@H]1[NH+]1CC(OC)C1 308163612 572895326 /nfs/dbraw/zinc/89/53/26/572895326.db2.gz YEUKTPJMOJTEOX-SCZZXKLOSA-N 2 2 184.283 0.315 10 0 ACAELP CCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1CO 118896194 572893799 /nfs/dbraw/zinc/89/37/99/572893799.db2.gz ZSTXSFHNIFNQPC-IUCAKERBSA-N 2 2 172.272 0.180 10 0 ACAELP CCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1CO 118896194 572893806 /nfs/dbraw/zinc/89/38/06/572893806.db2.gz ZSTXSFHNIFNQPC-IUCAKERBSA-N 2 2 172.272 0.180 10 0 ACAELP C[N@@H+]1CCCC[C@]2(C[C@@H](O)CC[NH2+]2)C1 257615268 572893870 /nfs/dbraw/zinc/89/38/70/572893870.db2.gz XCTGZLPNPCQLOO-QWRGUYRKSA-N 2 2 198.310 0.585 10 0 ACAELP C[N@H+]1CCCC[C@]2(C[C@@H](O)CC[NH2+]2)C1 257615268 572893873 /nfs/dbraw/zinc/89/38/73/572893873.db2.gz XCTGZLPNPCQLOO-QWRGUYRKSA-N 2 2 198.310 0.585 10 0 ACAELP CO[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C2)C1 234888633 572893974 /nfs/dbraw/zinc/89/39/74/572893974.db2.gz OOTGOGDZVVDAKJ-GMTAPVOTSA-N 2 2 198.310 0.848 10 0 ACAELP CO[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C1 234888633 572893980 /nfs/dbraw/zinc/89/39/80/572893980.db2.gz OOTGOGDZVVDAKJ-GMTAPVOTSA-N 2 2 198.310 0.848 10 0 ACAELP C[NH2+]C[C@@H]1CC[C@@H]1[NH+]1CC(OC)C1 308163614 572895363 /nfs/dbraw/zinc/89/53/63/572895363.db2.gz YEUKTPJMOJTEOX-WPRPVWTQSA-N 2 2 184.283 0.315 10 0 ACAELP C[C@@H]1CC[C@]1(C[NH3+])[NH2+]CCN(C)C 308164526 572895031 /nfs/dbraw/zinc/89/50/31/572895031.db2.gz YRLPRZWMCOBVBQ-NXEZZACHSA-N 2 2 185.315 0.265 10 0 ACAELP C[C@@H](C[NH2+]CCC(C)(C)O)[NH+](C)C 86235760 572895940 /nfs/dbraw/zinc/89/59/40/572895940.db2.gz PLKGVAHEHPUAEY-VIFPVBQESA-N 2 2 188.315 0.687 10 0 ACAELP CC[N@H+](C)CC[NH2+]CCC(C)(C)O 86235885 572896030 /nfs/dbraw/zinc/89/60/30/572896030.db2.gz IUSGORLGNJUUGK-UHFFFAOYSA-N 2 2 188.315 0.689 10 0 ACAELP CC[N@@H+](C)CC[NH2+]CCC(C)(C)O 86235885 572896032 /nfs/dbraw/zinc/89/60/32/572896032.db2.gz IUSGORLGNJUUGK-UHFFFAOYSA-N 2 2 188.315 0.689 10 0 ACAELP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)O)C1 86235498 572896167 /nfs/dbraw/zinc/89/61/67/572896167.db2.gz WOQLPQJNJILEKQ-VIFPVBQESA-N 2 2 186.299 0.441 10 0 ACAELP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)O)C1 86235498 572896170 /nfs/dbraw/zinc/89/61/70/572896170.db2.gz WOQLPQJNJILEKQ-VIFPVBQESA-N 2 2 186.299 0.441 10 0 ACAELP C[N@H+](CC[NH3+])CCC(C)(C)O 86234709 572896212 /nfs/dbraw/zinc/89/62/12/572896212.db2.gz UZLQNHROAPYSTJ-UHFFFAOYSA-N 2 2 160.261 0.038 10 0 ACAELP C[N@@H+](CC[NH3+])CCC(C)(C)O 86234709 572896215 /nfs/dbraw/zinc/89/62/15/572896215.db2.gz UZLQNHROAPYSTJ-UHFFFAOYSA-N 2 2 160.261 0.038 10 0 ACAELP C[NH2+]C[C@@H]1CC[C@H]1[NH+]1CC(OC)C1 308163613 572896418 /nfs/dbraw/zinc/89/64/18/572896418.db2.gz YEUKTPJMOJTEOX-WCBMZHEXSA-N 2 2 184.283 0.315 10 0 ACAELP CC(C)(O)CC[N@H+](CC[NH3+])C1CC1 86234722 572896580 /nfs/dbraw/zinc/89/65/80/572896580.db2.gz XNTFBXNKICPLCL-UHFFFAOYSA-N 2 2 186.299 0.571 10 0 ACAELP CC(C)(O)CC[N@@H+](CC[NH3+])C1CC1 86234722 572896582 /nfs/dbraw/zinc/89/65/82/572896582.db2.gz XNTFBXNKICPLCL-UHFFFAOYSA-N 2 2 186.299 0.571 10 0 ACAELP CCC[NH2+]C[C@@H]1Cc2[nH+]c[nH]c2CN1 86233550 572896697 /nfs/dbraw/zinc/89/66/97/572896697.db2.gz XXKRUYGHJDOOTE-QMMMGPOBSA-N 2 2 194.282 0.424 10 0 ACAELP CC(C)(O)CC[NH2+]CCn1cc[nH+]c1 86235493 572896727 /nfs/dbraw/zinc/89/67/27/572896727.db2.gz YVJYGOTWSFTBTO-UHFFFAOYSA-N 2 2 197.282 0.634 10 0 ACAELP C[C@H](C[NH2+]CCC(C)(C)O)[NH+](C)C 86235762 572896892 /nfs/dbraw/zinc/89/68/92/572896892.db2.gz PLKGVAHEHPUAEY-SECBINFHSA-N 2 2 188.315 0.687 10 0 ACAELP C[NH+](C)CC[NH2+]CCC(C)(C)O 86235162 572897449 /nfs/dbraw/zinc/89/74/49/572897449.db2.gz BVIUUMCPUJPNDR-UHFFFAOYSA-N 2 2 174.288 0.299 10 0 ACAELP Cc1n[nH]cc1C[NH2+]C(C)(C)C[NH3+] 308176006 572897193 /nfs/dbraw/zinc/89/71/93/572897193.db2.gz FGKHPUFUHJSUEK-UHFFFAOYSA-N 2 2 182.271 0.545 10 0 ACAELP CC[C@H](C[N@H+]1CC[C@H]([NH3+])C1)OC 308176240 572897257 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/nfs/dbraw/zinc/94/98/00/572949800.db2.gz GVPMHPXTNNHEMX-JTQLQIEISA-N 2 2 198.310 0.897 10 0 ACAELP CCC[NH2+][C@@H](COCC)C[NH+](C)C 86527088 572948882 /nfs/dbraw/zinc/94/88/82/572948882.db2.gz HATJKMKFDFQAGY-SNVBAGLBSA-N 2 2 188.315 0.953 10 0 ACAELP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC1 308214683 572949493 /nfs/dbraw/zinc/94/94/93/572949493.db2.gz YVFSGZPGMWFHBS-SNVBAGLBSA-N 2 2 186.299 0.395 10 0 ACAELP C[NH2+]CC[N@H+](C)CC[C@@H]1CCCC1=O 86530581 572949797 /nfs/dbraw/zinc/94/97/97/572949797.db2.gz GVPMHPXTNNHEMX-JTQLQIEISA-N 2 2 198.310 0.897 10 0 ACAELP C=Cn1cc[nH+]c1C[C@H]1COCC[NH2+]1 76167425 572950054 /nfs/dbraw/zinc/95/00/54/572950054.db2.gz LCNKIKYISSQLQP-VIFPVBQESA-N 2 2 193.250 0.515 10 0 ACAELP C[C@H](O)[C@@H]([NH3+])c1c[nH+]cc2cc[nH]c12 713794520 572950711 /nfs/dbraw/zinc/95/07/11/572950711.db2.gz KRYQGKCLMULRJD-IMTBSYHQSA-N 2 2 191.234 0.944 10 0 ACAELP CCOC(=O)[C@@H](C[NH3+])Cc1[nH]cc[nH+]1 76160312 572950846 /nfs/dbraw/zinc/95/08/46/572950846.db2.gz ATGCHUGYNBGBQT-SSDOTTSWSA-N 2 2 197.238 0.090 10 0 ACAELP C[C@@H](O)[C@H]([NH3+])c1c[nH+]cc2cc[nH]c12 713794524 572951404 /nfs/dbraw/zinc/95/14/04/572951404.db2.gz KRYQGKCLMULRJD-MUWHJKNJSA-N 2 2 191.234 0.944 10 0 ACAELP C[NH2+]CC[N@H+](C)CC[C@H]1CCCC1=O 86530582 572951046 /nfs/dbraw/zinc/95/10/46/572951046.db2.gz GVPMHPXTNNHEMX-SNVBAGLBSA-N 2 2 198.310 0.897 10 0 ACAELP C[NH2+]CC[N@@H+](C)CC[C@H]1CCCC1=O 86530582 572951048 /nfs/dbraw/zinc/95/10/48/572951048.db2.gz GVPMHPXTNNHEMX-SNVBAGLBSA-N 2 2 198.310 0.897 10 0 ACAELP C[C@H](O)[C@H]([NH3+])c1c[nH+]cc2cc[nH]c12 713794533 572951242 /nfs/dbraw/zinc/95/12/42/572951242.db2.gz KRYQGKCLMULRJD-RCOVLWMOSA-N 2 2 191.234 0.944 10 0 ACAELP C[C@@H](O)[C@@H]([NH3+])c1c[nH+]cc2cc[nH]c12 713794514 572951249 /nfs/dbraw/zinc/95/12/49/572951249.db2.gz KRYQGKCLMULRJD-HZGVNTEJSA-N 2 2 191.234 0.944 10 0 ACAELP CCN1C[C@@H](C)[N@H+](C)C[C@H]1C[NH2+]C 250268344 572952139 /nfs/dbraw/zinc/95/21/39/572952139.db2.gz KVAUHFGIJMBHSI-NXEZZACHSA-N 2 2 185.315 0.230 10 0 ACAELP [NH3+]CCc1[nH+]ccn1COCC1CC1 236287724 572951575 /nfs/dbraw/zinc/95/15/75/572951575.db2.gz VAMMTAVGOXUVLV-UHFFFAOYSA-N 2 2 195.266 0.768 10 0 ACAELP CCOC(=O)[C@H](C[NH3+])Cc1[nH]cc[nH+]1 76160310 572951694 /nfs/dbraw/zinc/95/16/94/572951694.db2.gz ATGCHUGYNBGBQT-ZETCQYMHSA-N 2 2 197.238 0.090 10 0 ACAELP CCN1C[C@@H](C)[N@@H+](C)C[C@H]1C[NH2+]C 250268344 572952142 /nfs/dbraw/zinc/95/21/42/572952142.db2.gz KVAUHFGIJMBHSI-NXEZZACHSA-N 2 2 185.315 0.230 10 0 ACAELP CCN1C[C@H](C)[N@H+](C)C[C@H]1C[NH2+]C 250268347 572952211 /nfs/dbraw/zinc/95/22/11/572952211.db2.gz KVAUHFGIJMBHSI-VHSXEESVSA-N 2 2 185.315 0.230 10 0 ACAELP CCN1C[C@H](C)[N@@H+](C)C[C@H]1C[NH2+]C 250268347 572952212 /nfs/dbraw/zinc/95/22/12/572952212.db2.gz KVAUHFGIJMBHSI-VHSXEESVSA-N 2 2 185.315 0.230 10 0 ACAELP CC(C)C[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])C1 238151141 572954200 /nfs/dbraw/zinc/95/42/00/572954200.db2.gz ZKVUWOSDZNWGDV-NXEZZACHSA-N 2 2 186.299 0.426 10 0 ACAELP CC(C)C[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])C1 238151141 572954203 /nfs/dbraw/zinc/95/42/03/572954203.db2.gz ZKVUWOSDZNWGDV-NXEZZACHSA-N 2 2 186.299 0.426 10 0 ACAELP CC(C)[C@H](C[NH3+])[NH2+]Cc1cnccn1 231048010 572955300 /nfs/dbraw/zinc/95/53/00/572955300.db2.gz RZSQYXRDHKESRE-JTQLQIEISA-N 2 2 194.282 0.550 10 0 ACAELP COC1CC([N@H+](C)CC[NH3+])C1 234641802 572955492 /nfs/dbraw/zinc/95/54/92/572955492.db2.gz XGZWAJVISZKROV-UHFFFAOYSA-N 2 2 158.245 0.054 10 0 ACAELP COC1CC([N@@H+](C)CC[NH3+])C1 234641802 572955495 /nfs/dbraw/zinc/95/54/95/572955495.db2.gz XGZWAJVISZKROV-UHFFFAOYSA-N 2 2 158.245 0.054 10 0 ACAELP CC(C)[C@H]([NH3+])C[NH2+]C[C@@H]([NH3+])C(C)C 238164416 572959282 /nfs/dbraw/zinc/95/92/82/572959282.db2.gz DBMDCVXNMYGSCF-NXEZZACHSA-N 3 2 187.331 0.543 10 0 ACAELP Cc1c([C@H](C[NH3+])[NH2+]C2CC2)cnn1C 86552247 572959692 /nfs/dbraw/zinc/95/96/92/572959692.db2.gz PDBVEWUFUMIVTI-JTQLQIEISA-N 2 2 194.282 0.480 10 0 ACAELP CC[NH2+][C@@H](C[NH3+])c1cnn(C)c1C 86552240 572959806 /nfs/dbraw/zinc/95/98/06/572959806.db2.gz YQUKWJOTRNWMRH-VIFPVBQESA-N 2 2 182.271 0.338 10 0 ACAELP Cc1c([C@@H](C[NH3+])[NH2+]C2CC2)cnn1C 86552246 572960386 /nfs/dbraw/zinc/96/03/86/572960386.db2.gz PDBVEWUFUMIVTI-SNVBAGLBSA-N 2 2 194.282 0.480 10 0 ACAELP c1cn([C@@H]2C[NH2+]CCO2)c[nH+]1 199692837 572960884 /nfs/dbraw/zinc/96/08/84/572960884.db2.gz RJSITQLRFIPVCA-ZETCQYMHSA-N 2 2 153.185 0.002 10 0 ACAELP Cc1c([C@@H](C[NH3+])[NH2+]C(C)C)cnn1C 86552244 572960937 /nfs/dbraw/zinc/96/09/37/572960937.db2.gz LOHBLAPASKYGNV-SNVBAGLBSA-N 2 2 196.298 0.726 10 0 ACAELP [NH3+][C@@H]1CCC[C@@H]1OCCn1cc[nH+]c1 236290576 572960941 /nfs/dbraw/zinc/96/09/41/572960941.db2.gz NTQMHIWESNSDJN-ZJUUUORDSA-N 2 2 195.266 0.780 10 0 ACAELP CC[NH2+][C@H](C[NH3+])c1cnn(C)c1C 86552241 572961091 /nfs/dbraw/zinc/96/10/91/572961091.db2.gz YQUKWJOTRNWMRH-SECBINFHSA-N 2 2 182.271 0.338 10 0 ACAELP CCC[NH2+][C@H](C[NH3+])c1cnn(C)c1C 86552243 572961123 /nfs/dbraw/zinc/96/11/23/572961123.db2.gz BBMXWJQLBOUWNQ-SNVBAGLBSA-N 2 2 196.298 0.728 10 0 ACAELP COC(=O)C(C)(C)C[N@H+](C)CC[NH3+] 86595140 572961240 /nfs/dbraw/zinc/96/12/40/572961240.db2.gz UAEVYHRRZQKURS-UHFFFAOYSA-N 2 2 188.271 0.076 10 0 ACAELP COC(=O)C(C)(C)C[N@@H+](C)CC[NH3+] 86595140 572961241 /nfs/dbraw/zinc/96/12/41/572961241.db2.gz UAEVYHRRZQKURS-UHFFFAOYSA-N 2 2 188.271 0.076 10 0 ACAELP CCC[NH2+][C@@H](C[NH3+])c1cnn(C)c1C 86552242 572961294 /nfs/dbraw/zinc/96/12/94/572961294.db2.gz BBMXWJQLBOUWNQ-JTQLQIEISA-N 2 2 196.298 0.728 10 0 ACAELP Cc1c([C@H](C[NH3+])[NH2+]C(C)C)cnn1C 86552245 572961410 /nfs/dbraw/zinc/96/14/10/572961410.db2.gz LOHBLAPASKYGNV-JTQLQIEISA-N 2 2 196.298 0.726 10 0 ACAELP CCC[NH2+]CC[NH2+]C(C)(C)CO 58847283 572961737 /nfs/dbraw/zinc/96/17/37/572961737.db2.gz UCEXLEMKTUYNML-UHFFFAOYSA-N 2 2 174.288 0.347 10 0 ACAELP [NH3+]CCC[NH2+]CC[NH+]1CCCC1 88077674 572962514 /nfs/dbraw/zinc/96/25/14/572962514.db2.gz JMNDWGCNEJMXRZ-UHFFFAOYSA-N 3 2 171.288 0.021 10 0 ACAELP C[NH2+]CC[N@H+](C)[C@@H]1CCCC(=O)C1 86601411 572963015 /nfs/dbraw/zinc/96/30/15/572963015.db2.gz XSZDUVVOACYXQL-SECBINFHSA-N 2 2 184.283 0.649 10 0 ACAELP C[NH2+]CC[N@@H+](C)[C@@H]1CCCC(=O)C1 86601411 572963017 /nfs/dbraw/zinc/96/30/17/572963017.db2.gz XSZDUVVOACYXQL-SECBINFHSA-N 2 2 184.283 0.649 10 0 ACAELP C[C@H]1CO[C@@H](C[NH3+])C[N@@H+]1CCCF 88098347 572963671 /nfs/dbraw/zinc/96/36/71/572963671.db2.gz GMSWRQVTKCSBQC-IUCAKERBSA-N 2 2 190.262 0.394 10 0 ACAELP C[C@H]1CO[C@@H](C[NH3+])C[N@H+]1CCCF 88098347 572963673 /nfs/dbraw/zinc/96/36/73/572963673.db2.gz GMSWRQVTKCSBQC-IUCAKERBSA-N 2 2 190.262 0.394 10 0 ACAELP C[C@@H]1CO[C@H](C[NH3+])C[N@@H+]1CCCF 88098342 572963763 /nfs/dbraw/zinc/96/37/63/572963763.db2.gz GMSWRQVTKCSBQC-RKDXNWHRSA-N 2 2 190.262 0.394 10 0 ACAELP C[C@@H]1CO[C@H](C[NH3+])C[N@H+]1CCCF 88098342 572963764 /nfs/dbraw/zinc/96/37/64/572963764.db2.gz GMSWRQVTKCSBQC-RKDXNWHRSA-N 2 2 190.262 0.394 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@H+](C)CC1CC1 59184528 572965674 /nfs/dbraw/zinc/96/56/74/572965674.db2.gz JKNUKPOTFQRMFH-LURJTMIESA-N 2 2 155.245 0.653 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@@H+](C)CC1CC1 59184528 572965675 /nfs/dbraw/zinc/96/56/75/572965675.db2.gz JKNUKPOTFQRMFH-LURJTMIESA-N 2 2 155.245 0.653 10 0 ACAELP C[C@H]1CO[C@H](C[NH3+])C[N@@H+]1CCCF 88098343 572965143 /nfs/dbraw/zinc/96/51/43/572965143.db2.gz GMSWRQVTKCSBQC-DTWKUNHWSA-N 2 2 190.262 0.394 10 0 ACAELP C[C@H]1CO[C@H](C[NH3+])C[N@H+]1CCCF 88098343 572965144 /nfs/dbraw/zinc/96/51/44/572965144.db2.gz GMSWRQVTKCSBQC-DTWKUNHWSA-N 2 2 190.262 0.394 10 0 ACAELP C[C@@H]1CO[C@@H](C[NH3+])C[N@@H+]1CCCF 88098345 572965212 /nfs/dbraw/zinc/96/52/12/572965212.db2.gz GMSWRQVTKCSBQC-BDAKNGLRSA-N 2 2 190.262 0.394 10 0 ACAELP C[C@@H]1CO[C@@H](C[NH3+])C[N@H+]1CCCF 88098345 572965213 /nfs/dbraw/zinc/96/52/13/572965213.db2.gz GMSWRQVTKCSBQC-BDAKNGLRSA-N 2 2 190.262 0.394 10 0 ACAELP Cc1nc(C[NH2+]CCC[NH3+])oc1C 51355684 572965304 /nfs/dbraw/zinc/96/53/04/572965304.db2.gz MVZUCSSKYJDWJR-UHFFFAOYSA-N 2 2 183.255 0.730 10 0 ACAELP CC(C)C[N@H+](C)[C@@H](C)C(N)=[NH2+] 59184451 572965611 /nfs/dbraw/zinc/96/56/11/572965611.db2.gz VGWHNQBMTJJBOI-ZETCQYMHSA-N 2 2 157.261 0.899 10 0 ACAELP CC(C)C[N@@H+](C)[C@@H](C)C(N)=[NH2+] 59184451 572965614 /nfs/dbraw/zinc/96/56/14/572965614.db2.gz VGWHNQBMTJJBOI-ZETCQYMHSA-N 2 2 157.261 0.899 10 0 ACAELP C[NH+](C)CCC[N@H+](C)[C@H]1CCC(=O)C1 86618537 572965909 /nfs/dbraw/zinc/96/59/09/572965909.db2.gz JTQSFBPAXZNBER-JTQLQIEISA-N 2 2 198.310 0.992 10 0 ACAELP C[NH+](C)CCC[N@@H+](C)[C@H]1CCC(=O)C1 86618537 572965911 /nfs/dbraw/zinc/96/59/11/572965911.db2.gz JTQSFBPAXZNBER-JTQLQIEISA-N 2 2 198.310 0.992 10 0 ACAELP C[C@H](C(N)=[NH2+])[NH+]1CCC(CO)CC1 59184431 572966196 /nfs/dbraw/zinc/96/61/96/572966196.db2.gz YDLULSZCXOVHST-SSDOTTSWSA-N 2 2 185.271 0.015 10 0 ACAELP C[NH2+]CC[N@H+](C)[C@H]1CCC(=O)C1 86618566 572966242 /nfs/dbraw/zinc/96/62/42/572966242.db2.gz ONKXKRJHGSVBQT-QMMMGPOBSA-N 2 2 170.256 0.259 10 0 ACAELP C[NH2+]CC[N@@H+](C)[C@H]1CCC(=O)C1 86618566 572966243 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FAJVHZQUDJCPKG-ZJUUUORDSA-N 2 2 195.266 0.780 10 0 ACAELP C[NH+](C)CCC[N@H+](C)[C@@H]1CCC(=O)C1 86618536 572967450 /nfs/dbraw/zinc/96/74/50/572967450.db2.gz JTQSFBPAXZNBER-SNVBAGLBSA-N 2 2 198.310 0.992 10 0 ACAELP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCC(=O)C1 86618536 572967451 /nfs/dbraw/zinc/96/74/51/572967451.db2.gz JTQSFBPAXZNBER-SNVBAGLBSA-N 2 2 198.310 0.992 10 0 ACAELP CC(C)[NH2+]C[C@@H]1CC[C@H](CO)[N@@H+]1C 238179484 572967922 /nfs/dbraw/zinc/96/79/22/572967922.db2.gz DIBCIHRONDOWSU-VHSXEESVSA-N 2 2 186.299 0.440 10 0 ACAELP CC(C)[NH2+]C[C@@H]1CC[C@H](CO)[N@H+]1C 238179484 572967925 /nfs/dbraw/zinc/96/79/25/572967925.db2.gz DIBCIHRONDOWSU-VHSXEESVSA-N 2 2 186.299 0.440 10 0 ACAELP Cc1[nH+]ccn1-c1ccc(C[NH3+])nn1 51490890 572969171 /nfs/dbraw/zinc/96/91/71/572969171.db2.gz IVEOJZPVNJQMPS-UHFFFAOYSA-N 2 2 189.222 0.429 10 0 ACAELP CC(C)[NH2+]C[C@@](C)(O)[NH2+]C(C)C 238180837 572969866 /nfs/dbraw/zinc/96/98/66/572969866.db2.gz QNTJDXOFNYMBLT-SECBINFHSA-N 2 2 174.288 0.691 10 0 ACAELP 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MHEDWIBYWMSGRT-IONNQARKSA-N 2 2 172.272 0.036 10 0 ACAELP C[C@@H](C[NH2+]CC1CC[NH2+]CC1)[NH+](C)C 86700782 572971952 /nfs/dbraw/zinc/97/19/52/572971952.db2.gz GWLCFGXVFGSVLJ-JTQLQIEISA-N 3 2 199.342 0.526 10 0 ACAELP C[C@H](C[NH2+]CC1CC[NH2+]CC1)[NH+](C)C 86700785 572972016 /nfs/dbraw/zinc/97/20/16/572972016.db2.gz GWLCFGXVFGSVLJ-SNVBAGLBSA-N 3 2 199.342 0.526 10 0 ACAELP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)[NH+](C)C 86729026 572974208 /nfs/dbraw/zinc/97/42/08/572974208.db2.gz MAAFEXYTVIOIAW-WHXUTIOJSA-N 3 2 199.342 0.796 10 0 ACAELP CCC1C[NH+](C[C@@H]([NH3+])[C@@H](C)O)C1 86679381 572972073 /nfs/dbraw/zinc/97/20/73/572972073.db2.gz MHEDWIBYWMSGRT-VXNVDRBHSA-N 2 2 172.272 0.036 10 0 ACAELP CC(C)[NH2+]C[C@](C)(O)[NH2+]C(C)C 238185219 572972323 /nfs/dbraw/zinc/97/23/23/572972323.db2.gz QNTJDXOFNYMBLT-VIFPVBQESA-N 2 2 174.288 0.691 10 0 ACAELP CC(C)C1C[NH+](C[C@@H]([NH3+])[C@@H](C)O)C1 86679431 572972698 /nfs/dbraw/zinc/97/26/98/572972698.db2.gz YEPWMPLLQDMJJQ-PSASIEDQSA-N 2 2 186.299 0.282 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2 151.213 0.793 10 0 ACAELP C[C@@H]([NH3+])CCc1c[nH]c[nH+]1 104554441 573005959 /nfs/dbraw/zinc/00/59/59/573005959.db2.gz HWVDAVUKMRDZDQ-ZCFIWIBFSA-N 2 2 139.202 0.690 10 0 ACAELP C[C@@H]([NH3+])CCc1c[nH+]c[nH]1 104554441 573005966 /nfs/dbraw/zinc/00/59/66/573005966.db2.gz HWVDAVUKMRDZDQ-ZCFIWIBFSA-N 2 2 139.202 0.690 10 0 ACAELP [NH3+]C[C@@H]1CC[C@@H]1[NH+]1CCOCC1 87921443 573005806 /nfs/dbraw/zinc/00/58/06/573005806.db2.gz SBOTWBCCTQMURY-IUCAKERBSA-N 2 2 170.256 0.056 10 0 ACAELP [NH3+]C[C@@H]1CC[C@H]1n1cc[nH+]c1 87923661 573005839 /nfs/dbraw/zinc/00/58/39/573005839.db2.gz DJMOVWWQNZWDQG-JGVFFNPUSA-N 2 2 151.213 0.793 10 0 ACAELP C[NH2+]C[C@H]1CC[C@H]1[NH+]1CCOCC1 87921442 573005918 /nfs/dbraw/zinc/00/59/18/573005918.db2.gz REFFTFLRAWIQLX-NXEZZACHSA-N 2 2 184.283 0.317 10 0 ACAELP C[NH2+]C[C@@H]1CC[C@@H]1[NH+]1CCOCC1 87921439 573006324 /nfs/dbraw/zinc/00/63/24/573006324.db2.gz REFFTFLRAWIQLX-UWVGGRQHSA-N 2 2 184.283 0.317 10 0 ACAELP [NH3+]C[C@@]1(c2ccc(F)cc2)CC[NH2+]1 258213817 573006350 /nfs/dbraw/zinc/00/63/50/573006350.db2.gz OIYSHTCLSVAFET-SNVBAGLBSA-N 2 2 180.226 0.973 10 0 ACAELP C[NH2+][C@@H]1CC[N@H+](CCC[C@H](C)O)C1 308221537 573007405 /nfs/dbraw/zinc/00/74/05/573007405.db2.gz CSLJMBVMKLYXCN-VHSXEESVSA-N 2 2 186.299 0.441 10 0 ACAELP C[NH2+][C@@H]1CC[N@@H+](CCC[C@H](C)O)C1 308221537 573007411 /nfs/dbraw/zinc/00/74/11/573007411.db2.gz CSLJMBVMKLYXCN-VHSXEESVSA-N 2 2 186.299 0.441 10 0 ACAELP [NH3+]C[C@]1(c2ccc(F)cc2)CC[NH2+]1 258213816 573007790 /nfs/dbraw/zinc/00/77/90/573007790.db2.gz OIYSHTCLSVAFET-JTQLQIEISA-N 2 2 180.226 0.973 10 0 ACAELP CCn1cc[nH+]c1[C@@H](C)C[NH3+] 87934567 573007800 /nfs/dbraw/zinc/00/78/00/573007800.db2.gz JVUQJTXVISXFLG-ZETCQYMHSA-N 2 2 153.229 0.965 10 0 ACAELP CC(C)([NH3+])C(=O)C(C)(C)[NH3+] 104557218 573007837 /nfs/dbraw/zinc/00/78/37/573007837.db2.gz MLVIMJJNLIMRCJ-UHFFFAOYSA-N 2 2 144.218 0.030 10 0 ACAELP C[C@H]([NH3+])CCc1c[nH]c[nH+]1 104554436 573007993 /nfs/dbraw/zinc/00/79/93/573007993.db2.gz HWVDAVUKMRDZDQ-LURJTMIESA-N 2 2 139.202 0.690 10 0 ACAELP C[C@H]([NH3+])CCc1c[nH+]c[nH]1 104554436 573008001 /nfs/dbraw/zinc/00/80/01/573008001.db2.gz HWVDAVUKMRDZDQ-LURJTMIESA-N 2 2 139.202 0.690 10 0 ACAELP CC(C)[NH2+]C[C@H]([NH3+])[C@@H]1CC[N@H+](C)C1 259305332 573008335 /nfs/dbraw/zinc/00/83/35/573008335.db2.gz KGLIRAYQNMJOGL-ZJUUUORDSA-N 3 2 185.315 0.263 10 0 ACAELP CC(C)[NH2+]C[C@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 259305332 573008344 /nfs/dbraw/zinc/00/83/44/573008344.db2.gz KGLIRAYQNMJOGL-ZJUUUORDSA-N 3 2 185.315 0.263 10 0 ACAELP CC(C)[NH2+]C[C@@H]([NH3+])[C@@H]1CC[N@H+](C)C1 259305321 573008595 /nfs/dbraw/zinc/00/85/95/573008595.db2.gz KGLIRAYQNMJOGL-NXEZZACHSA-N 3 2 185.315 0.263 10 0 ACAELP CC(C)[NH2+]C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 259305321 573008601 /nfs/dbraw/zinc/00/86/01/573008601.db2.gz KGLIRAYQNMJOGL-NXEZZACHSA-N 3 2 185.315 0.263 10 0 ACAELP CCn1cc[nH+]c1[C@H](C)C[NH3+] 87934568 573009239 /nfs/dbraw/zinc/00/92/39/573009239.db2.gz JVUQJTXVISXFLG-SSDOTTSWSA-N 2 2 153.229 0.965 10 0 ACAELP CC(C)[NH2+]C[C@@H]([NH3+])[C@H]1CC[N@H+](C)C1 259305328 573009289 /nfs/dbraw/zinc/00/92/89/573009289.db2.gz KGLIRAYQNMJOGL-VHSXEESVSA-N 3 2 185.315 0.263 10 0 ACAELP CC(C)[NH2+]C[C@@H]([NH3+])[C@H]1CC[N@@H+](C)C1 259305328 573009293 /nfs/dbraw/zinc/00/92/93/573009293.db2.gz KGLIRAYQNMJOGL-VHSXEESVSA-N 3 2 185.315 0.263 10 0 ACAELP C[C@H]1OCC[C@@H]1Cn1c[nH+]cc1C[NH3+] 235683217 573009424 /nfs/dbraw/zinc/00/94/24/573009424.db2.gz RTNYOUVRYNWJPW-RKDXNWHRSA-N 2 2 195.266 0.767 10 0 ACAELP C[NH2+][C@H](c1cccnc1)C1([NH3+])CC1 259309113 573010872 /nfs/dbraw/zinc/01/08/72/573010872.db2.gz QTVWLYUNOCUFQL-SECBINFHSA-N 2 2 177.251 0.833 10 0 ACAELP CC(C)[C@@H](C[NH3+])[NH2+]CCC[NH+](C)C 259033737 573011777 /nfs/dbraw/zinc/01/17/77/573011777.db2.gz TZMWWRNNMABKOE-SNVBAGLBSA-N 3 2 187.331 0.511 10 0 ACAELP CCCc1[nH]c([C@H]2C[NH2+]CCN2)c[nH+]1 238252616 573012063 /nfs/dbraw/zinc/01/20/63/573012063.db2.gz LDBOKYQYTYUCNH-MRVPVSSYSA-N 2 2 194.282 0.596 10 0 ACAELP C[NH2+][C@@H](c1cccnc1)C1([NH3+])CC1 259309120 573012388 /nfs/dbraw/zinc/01/23/88/573012388.db2.gz QTVWLYUNOCUFQL-VIFPVBQESA-N 2 2 177.251 0.833 10 0 ACAELP CC(C)[C@H](C[NH3+])[NH2+]CCC[NH+](C)C 259033725 573012634 /nfs/dbraw/zinc/01/26/34/573012634.db2.gz TZMWWRNNMABKOE-JTQLQIEISA-N 3 2 187.331 0.511 10 0 ACAELP CC[C@@H]([NH3+])n1cc[nH+]c1 104563093 573012718 /nfs/dbraw/zinc/01/27/18/573012718.db2.gz KCAAUXUSONNQIF-LURJTMIESA-N 2 2 125.175 0.750 10 0 ACAELP C[NH2+][C@H](c1ccc(C)cc1)[C@@H]([NH3+])CO 259598956 573012761 /nfs/dbraw/zinc/01/27/61/573012761.db2.gz YANUFUABWFMBDX-WDEREUQCSA-N 2 2 194.278 0.575 10 0 ACAELP C[NH2+][C@H](c1ccncc1)C1([NH3+])CC1 259312002 573013996 /nfs/dbraw/zinc/01/39/96/573013996.db2.gz RANRNZSBIRIKBA-SECBINFHSA-N 2 2 177.251 0.833 10 0 ACAELP COc1ccc([C@]2(C[NH3+])CC[NH2+]2)cc1 258226343 573014725 /nfs/dbraw/zinc/01/47/25/573014725.db2.gz PAOVKJVSGPMPPN-LLVKDONJSA-N 2 2 192.262 0.843 10 0 ACAELP CCOc1cc[nH+]cc1[C@@H](O)CC[NH3+] 308475842 573015308 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QZZGZQJLTTZWMK-NXEZZACHSA-N 2 2 186.299 0.835 10 0 ACAELP CCCOCC[N@H+]1CC[C@@H]([NH3+])[C@H]1C 308226592 573018545 /nfs/dbraw/zinc/01/85/45/573018545.db2.gz QZZGZQJLTTZWMK-NXEZZACHSA-N 2 2 186.299 0.835 10 0 ACAELP O[C@H]1C[NH2+]CC[N@H+](CCCCF)C1 308226561 573018605 /nfs/dbraw/zinc/01/86/05/573018605.db2.gz QZMKGFZZNFCJQM-VIFPVBQESA-N 2 2 190.262 0.002 10 0 ACAELP O[C@H]1C[NH2+]CC[N@@H+](CCCCF)C1 308226561 573018610 /nfs/dbraw/zinc/01/86/10/573018610.db2.gz QZMKGFZZNFCJQM-VIFPVBQESA-N 2 2 190.262 0.002 10 0 ACAELP Cn1cc[nH+]c1[C@@H]1CC[C@@H]1[NH3+] 87935718 573018837 /nfs/dbraw/zinc/01/88/37/573018837.db2.gz BBPRQCJCTNFQIQ-RQJHMYQMSA-N 2 2 151.213 0.625 10 0 ACAELP C[C@@H](CCC[NH3+])[NH2+]CCn1cc[nH+]c1 308483055 573019250 /nfs/dbraw/zinc/01/92/50/573019250.db2.gz HTRILIREFXAUGG-JTQLQIEISA-N 3 2 196.298 0.600 10 0 ACAELP O[C@H](CCn1cc[nH+]c1)C[NH2+]C1CC1 308484019 573019477 /nfs/dbraw/zinc/01/94/77/573019477.db2.gz IHNYFFDPFQOYDQ-SNVBAGLBSA-N 2 2 195.266 0.386 10 0 ACAELP CCCOCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 308226597 573020092 /nfs/dbraw/zinc/02/00/92/573020092.db2.gz QZZGZQJLTTZWMK-UWVGGRQHSA-N 2 2 186.299 0.835 10 0 ACAELP CCCOCC[N@H+]1CC[C@H]([NH3+])[C@@H]1C 308226597 573020098 /nfs/dbraw/zinc/02/00/98/573020098.db2.gz QZZGZQJLTTZWMK-UWVGGRQHSA-N 2 2 186.299 0.835 10 0 ACAELP CCCOCC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C 308226601 573020475 /nfs/dbraw/zinc/02/04/75/573020475.db2.gz QZZGZQJLTTZWMK-VHSXEESVSA-N 2 2 186.299 0.835 10 0 ACAELP CCCOCC[N@H+]1CC[C@@H]([NH3+])[C@@H]1C 308226601 573020481 /nfs/dbraw/zinc/02/04/81/573020481.db2.gz QZZGZQJLTTZWMK-VHSXEESVSA-N 2 2 186.299 0.835 10 0 ACAELP O[C@@H](CCn1cc[nH+]c1)C[NH2+]C1CC1 308484018 573021207 /nfs/dbraw/zinc/02/12/07/573021207.db2.gz IHNYFFDPFQOYDQ-JTQLQIEISA-N 2 2 195.266 0.386 10 0 ACAELP O[C@@H]1C[NH2+]CC[N@H+](CCCCF)C1 308226560 573021403 /nfs/dbraw/zinc/02/14/03/573021403.db2.gz QZMKGFZZNFCJQM-SECBINFHSA-N 2 2 190.262 0.002 10 0 ACAELP O[C@@H]1C[NH2+]CC[N@@H+](CCCCF)C1 308226560 573021407 /nfs/dbraw/zinc/02/14/07/573021407.db2.gz QZMKGFZZNFCJQM-SECBINFHSA-N 2 2 190.262 0.002 10 0 ACAELP C[C@H](CCC[NH3+])[NH2+]CCn1cc[nH+]c1 308483056 573021802 /nfs/dbraw/zinc/02/18/02/573021802.db2.gz HTRILIREFXAUGG-SNVBAGLBSA-N 3 2 196.298 0.600 10 0 ACAELP CCCOCC[N@H+]1CC[C@H]([NH3+])[C@H]1C 308226605 573022692 /nfs/dbraw/zinc/02/26/92/573022692.db2.gz QZZGZQJLTTZWMK-ZJUUUORDSA-N 2 2 186.299 0.835 10 0 ACAELP CO[C@@H](C)C[C@@H]([NH3+])Cc1[nH+]ccn1C 128486807 573022625 /nfs/dbraw/zinc/02/26/25/573022625.db2.gz RWDYAAJTIJGDIN-DTWKUNHWSA-N 2 2 197.282 0.715 10 0 ACAELP CCCOCC[N@@H+]1CC[C@H]([NH3+])[C@H]1C 308226605 573022688 /nfs/dbraw/zinc/02/26/88/573022688.db2.gz QZZGZQJLTTZWMK-ZJUUUORDSA-N 2 2 186.299 0.835 10 0 ACAELP Cc1ccc(O)cc1[C@H]([NH3+])C[NH3+] 104576810 573023863 /nfs/dbraw/zinc/02/38/63/573023863.db2.gz YYJFOQYUFYBIKP-SECBINFHSA-N 2 2 166.224 0.659 10 0 ACAELP CCc1c(O)cccc1[C@H]([NH3+])C[NH3+] 104573023 573023915 /nfs/dbraw/zinc/02/39/15/573023915.db2.gz CHBKVVZUNHTGNW-SECBINFHSA-N 2 2 180.251 0.913 10 0 ACAELP Nc1cc[nH+]cc1[C@H]1COCC[NH2+]1 104574095 573023935 /nfs/dbraw/zinc/02/39/35/573023935.db2.gz DETMLWOQNCLKFE-SECBINFHSA-N 2 2 179.223 0.325 10 0 ACAELP CCc1cc(O)ccc1[C@H]([NH3+])C[NH3+] 104574931 573023951 /nfs/dbraw/zinc/02/39/51/573023951.db2.gz UIVMOBRJSOSSOC-SNVBAGLBSA-N 2 2 180.251 0.913 10 0 ACAELP CCc1ccc(O)cc1[C@@H]([NH3+])C[NH3+] 104576906 573024051 /nfs/dbraw/zinc/02/40/51/573024051.db2.gz DOTHYCNRRPEKAU-JTQLQIEISA-N 2 2 180.251 0.913 10 0 ACAELP C[C@H]1CC[NH2+]C[C@@H]1[N@@H+]1CCCOCC1 85439850 573024398 /nfs/dbraw/zinc/02/43/98/573024398.db2.gz VYDFYRAHWFHZRL-QWRGUYRKSA-N 2 2 198.310 0.707 10 0 ACAELP C[C@H]1CC[NH2+]C[C@@H]1[N@H+]1CCCOCC1 85439850 573024404 /nfs/dbraw/zinc/02/44/04/573024404.db2.gz VYDFYRAHWFHZRL-QWRGUYRKSA-N 2 2 198.310 0.707 10 0 ACAELP Cc1cc[nH+]cc1NCC[NH3+] 85439017 573024582 /nfs/dbraw/zinc/02/45/82/573024582.db2.gz XCCFHJZZIOHEFK-UHFFFAOYSA-N 2 2 151.213 0.761 10 0 ACAELP C[NH2+][C@]1(C[NH2+]C2CCCC2)CCOC1 308478502 573025561 /nfs/dbraw/zinc/02/55/61/573025561.db2.gz LNYHSOZDSCESSM-NSHDSACASA-N 2 2 198.310 0.897 10 0 ACAELP C[NH2+][C@@]1(C[NH2+]C2CCCC2)CCOC1 308478501 573025590 /nfs/dbraw/zinc/02/55/90/573025590.db2.gz LNYHSOZDSCESSM-LLVKDONJSA-N 2 2 198.310 0.897 10 0 ACAELP [NH3+]C[C@@H]1Cc2ccc(O)cc2C[NH2+]1 257924538 573025863 /nfs/dbraw/zinc/02/58/63/573025863.db2.gz RWLYODUGSDRGTH-VIFPVBQESA-N 2 2 178.235 0.365 10 0 ACAELP C[C@H]1CC[NH2+]C[C@H]1[N@@H+]1CCCOCC1 85439855 573026037 /nfs/dbraw/zinc/02/60/37/573026037.db2.gz VYDFYRAHWFHZRL-WDEREUQCSA-N 2 2 198.310 0.707 10 0 ACAELP CCc1c(O)cccc1[C@@H]([NH3+])C[NH3+] 104573026 573025952 /nfs/dbraw/zinc/02/59/52/573025952.db2.gz CHBKVVZUNHTGNW-VIFPVBQESA-N 2 2 180.251 0.913 10 0 ACAELP C[C@H]1CC[NH2+]C[C@H]1[N@H+]1CCCOCC1 85439855 573026045 /nfs/dbraw/zinc/02/60/45/573026045.db2.gz VYDFYRAHWFHZRL-WDEREUQCSA-N 2 2 198.310 0.707 10 0 ACAELP CCc1cc(O)ccc1[C@@H]([NH3+])C[NH3+] 104574934 573027041 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3 2 199.342 0.479 10 0 ACAELP [NH3+]C[C@H]([NH3+])c1ccc(CO)c(F)c1 104579620 573029461 /nfs/dbraw/zinc/02/94/61/573029461.db2.gz PQDPWDATZFPOSL-VIFPVBQESA-N 2 2 184.214 0.277 10 0 ACAELP C[C@@H]1C[NH2+]CC[N@H+](CCC[NH+](C)C)C1 49661973 573030966 /nfs/dbraw/zinc/03/09/66/573030966.db2.gz JZEDZQAOKLBMTM-LLVKDONJSA-N 3 2 199.342 0.479 10 0 ACAELP C[C@@H]1C[NH2+]CC[N@@H+](CCC[NH+](C)C)C1 49661973 573030974 /nfs/dbraw/zinc/03/09/74/573030974.db2.gz JZEDZQAOKLBMTM-LLVKDONJSA-N 3 2 199.342 0.479 10 0 ACAELP C[C@H](C[NH3+])c1[nH+]ccn1C 82410408 573031394 /nfs/dbraw/zinc/03/13/94/573031394.db2.gz QEFRUVAKYOEVJD-ZCFIWIBFSA-N 2 2 139.202 0.482 10 0 ACAELP Cc1c(O)cccc1[C@H]([NH3+])C[NH3+] 104579072 573032773 /nfs/dbraw/zinc/03/27/73/573032773.db2.gz MIGUDNVVIWTIGU-MRVPVSSYSA-N 2 2 166.224 0.659 10 0 ACAELP [NH3+]C[C@H]([NH3+])c1ccc(F)c(CO)c1 104579575 573032923 /nfs/dbraw/zinc/03/29/23/573032923.db2.gz FYCJVIYNDWJZNQ-VIFPVBQESA-N 2 2 184.214 0.277 10 0 ACAELP [NH3+]C[C@@H]([NH3+])c1ccc(CO)c(F)c1 104579617 573033454 /nfs/dbraw/zinc/03/34/54/573033454.db2.gz PQDPWDATZFPOSL-SECBINFHSA-N 2 2 184.214 0.277 10 0 ACAELP Cc1nc(N2C[C@H](C)[C@@H]([NH3+])C2)cc[nH+]1 235690828 573035348 /nfs/dbraw/zinc/03/53/48/573035348.db2.gz JPXCSNSDNWCWAE-CBAPKCEASA-N 2 2 192.266 0.568 10 0 ACAELP Cc1[nH]c[nH+]c1C[C@@H]1CC[NH2+]C1 258472659 573035459 /nfs/dbraw/zinc/03/54/59/573035459.db2.gz IKFDWEXTWUNQCR-QMMMGPOBSA-N 2 2 165.240 0.870 10 0 ACAELP C[N@@H+]1CC[C@H]([C@H]([NH3+])C(C)(C)[NH3+])C1 259316959 573035519 /nfs/dbraw/zinc/03/55/19/573035519.db2.gz KQZUNMQDQUCGOL-YUMQZZPRSA-N 3 2 171.288 0.003 10 0 ACAELP C[N@H+]1CC[C@H]([C@H]([NH3+])C(C)(C)[NH3+])C1 259316959 573035525 /nfs/dbraw/zinc/03/55/25/573035525.db2.gz KQZUNMQDQUCGOL-YUMQZZPRSA-N 3 2 171.288 0.003 10 0 ACAELP C[C@H](C[NH3+])[NH+]1CCC(C)(O)CC1 88022477 573035707 /nfs/dbraw/zinc/03/57/07/573035707.db2.gz AKVADKHFZGSYNK-MRVPVSSYSA-N 2 2 172.272 0.180 10 0 ACAELP C[C@H]1OCC[C@H]1Cn1c[nH+]cc1C[NH3+] 235690352 573035913 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0.237 10 0 ACAELP C[N@@H+](CC[NH3+])CCCF 88024237 573036600 /nfs/dbraw/zinc/03/66/00/573036600.db2.gz GLQRNQSYHZKZSN-UHFFFAOYSA-N 2 2 134.198 0.237 10 0 ACAELP CC1(O)CC[NH+]([C@H]2CCC[NH2+]C2)CC1 88023313 573036624 /nfs/dbraw/zinc/03/66/24/573036624.db2.gz NDQVFXHDGUTMGN-JTQLQIEISA-N 2 2 198.310 0.585 10 0 ACAELP COC[C@@H]([NH3+])C[NH+]1CCCC1 88005141 573036690 /nfs/dbraw/zinc/03/66/90/573036690.db2.gz HJBOBSOXGGMMRC-QMMMGPOBSA-N 2 2 158.245 0.056 10 0 ACAELP C[NH+](C)CCC[NH+]1CCC[NH2+]CCC1 49666117 573036789 /nfs/dbraw/zinc/03/67/89/573036789.db2.gz KHZKEUPDLMFPPM-UHFFFAOYSA-N 3 2 199.342 0.624 10 0 ACAELP C[NH2+]CC[NH+]1CCC(C)(O)CC1 88022995 573036944 /nfs/dbraw/zinc/03/69/44/573036944.db2.gz YBMHCIBNEQJVLQ-UHFFFAOYSA-N 2 2 172.272 0.053 10 0 ACAELP Cc1[nH]c[nH+]c1C[C@H]1CC[NH2+]C1 258472653 573037076 /nfs/dbraw/zinc/03/70/76/573037076.db2.gz IKFDWEXTWUNQCR-MRVPVSSYSA-N 2 2 165.240 0.870 10 0 ACAELP C[N@@H+]1CC[C@@H]([C@H]([NH3+])C(C)(C)[NH3+])C1 259316954 573037130 /nfs/dbraw/zinc/03/71/30/573037130.db2.gz KQZUNMQDQUCGOL-SFYZADRCSA-N 3 2 171.288 0.003 10 0 ACAELP C[N@H+]1CC[C@@H]([C@H]([NH3+])C(C)(C)[NH3+])C1 259316954 573037133 /nfs/dbraw/zinc/03/71/33/573037133.db2.gz KQZUNMQDQUCGOL-SFYZADRCSA-N 3 2 171.288 0.003 10 0 ACAELP C[N@H+]([C@@H]1CC[NH2+]C1)[C@@H]1CCOC1 82427154 573037567 /nfs/dbraw/zinc/03/75/67/573037567.db2.gz CPHKYVWNVSMIBT-RKDXNWHRSA-N 2 2 170.256 0.069 10 0 ACAELP COC[C@@H]([NH3+])C[NH2+]Cc1ccccc1 88005465 573037211 /nfs/dbraw/zinc/03/72/11/573037211.db2.gz YEPWUNPDTPPECS-NSHDSACASA-N 2 2 194.278 0.750 10 0 ACAELP CC(C)(C)C(C)([NH3+])[NH3+] 104584825 573037344 /nfs/dbraw/zinc/03/73/44/573037344.db2.gz PYADVBBPPYGPGF-UHFFFAOYSA-N 2 2 116.208 0.666 10 0 ACAELP C[N@H+]([C@H]1CC[NH2+]C1)[C@@H]1CCOC1 82427156 573037381 /nfs/dbraw/zinc/03/73/81/573037381.db2.gz CPHKYVWNVSMIBT-DTWKUNHWSA-N 2 2 170.256 0.069 10 0 ACAELP C[N@@H+]([C@H]1CC[NH2+]C1)[C@@H]1CCOC1 82427156 573037383 /nfs/dbraw/zinc/03/73/83/573037383.db2.gz CPHKYVWNVSMIBT-DTWKUNHWSA-N 2 2 170.256 0.069 10 0 ACAELP C[N@@H+]([C@@H]1CC[NH2+]C1)[C@@H]1CCOC1 82427154 573037573 /nfs/dbraw/zinc/03/75/73/573037573.db2.gz CPHKYVWNVSMIBT-RKDXNWHRSA-N 2 2 170.256 0.069 10 0 ACAELP [NH3+]C[C@@]1([NH+]2CCCCC2)CCOC1 82427120 573037735 /nfs/dbraw/zinc/03/77/35/573037735.db2.gz FAZFMWXALBVBRR-JTQLQIEISA-N 2 2 184.283 0.590 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 88022392 573037924 /nfs/dbraw/zinc/03/79/24/573037924.db2.gz BUAMQWXEBFQDSE-QWRGUYRKSA-N 2 2 198.310 0.572 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 88022392 573037928 /nfs/dbraw/zinc/03/79/28/573037928.db2.gz BUAMQWXEBFQDSE-QWRGUYRKSA-N 2 2 198.310 0.572 10 0 ACAELP CC[C@@H](C(N)=[NH2+])[NH+]1CCC(C)(O)CC1 88022611 573038117 /nfs/dbraw/zinc/03/81/17/573038117.db2.gz QAZSTVAKMNIIGN-QMMMGPOBSA-N 2 2 199.298 0.548 10 0 ACAELP [NH3+]C[C@]1([NH+]2CCCCC2)CCOC1 82427121 573038922 /nfs/dbraw/zinc/03/89/22/573038922.db2.gz FAZFMWXALBVBRR-SNVBAGLBSA-N 2 2 184.283 0.590 10 0 ACAELP 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/nfs/dbraw/zinc/04/41/52/573044152.db2.gz YJKQNRAHNWGZPN-LYFYHCNISA-N 2 2 128.219 0.284 10 0 ACAELP C[C@H]1[C@H](C)[N@@H+](C)[C@@H]1C[NH3+] 104589868 573044154 /nfs/dbraw/zinc/04/41/54/573044154.db2.gz YJKQNRAHNWGZPN-LYFYHCNISA-N 2 2 128.219 0.284 10 0 ACAELP C[C@H]([NH2+]Cc1cccnn1)C1C[NH2+]C1 686252246 573044602 /nfs/dbraw/zinc/04/46/02/573044602.db2.gz SAAPTUOADJIORZ-QMMMGPOBSA-N 2 2 192.266 0.174 10 0 ACAELP C[NH2+]CC[N@H+](C)C[C@@H]1CCOC1 49688946 573044609 /nfs/dbraw/zinc/04/46/09/573044609.db2.gz DPHFEKMYLCWXHH-VIFPVBQESA-N 2 2 172.272 0.174 10 0 ACAELP C[NH+](C)CC[NH2+]CCCF 88024450 573044973 /nfs/dbraw/zinc/04/49/73/573044973.db2.gz XNRTVTOIIPSCPD-UHFFFAOYSA-N 2 2 148.225 0.497 10 0 ACAELP C[C@@H]1[C@@H](C[NH3+])[N@@H+](C)[C@@H]1C 104589865 573047437 /nfs/dbraw/zinc/04/74/37/573047437.db2.gz YJKQNRAHNWGZPN-RRKCRQDMSA-N 2 2 128.219 0.284 10 0 ACAELP C[C@@H]1[C@@H](C[NH3+])[N@H+](C)[C@@H]1C 104589865 573047441 /nfs/dbraw/zinc/04/74/41/573047441.db2.gz YJKQNRAHNWGZPN-RRKCRQDMSA-N 2 2 128.219 0.284 10 0 ACAELP CC(C)CC([NH3+])[NH3+] 113914832 573048181 /nfs/dbraw/zinc/04/81/81/573048181.db2.gz RSRDHQPJHPGKIZ-UHFFFAOYSA-N 2 2 102.181 0.276 10 0 ACAELP C[C@H]1[C@H](C)[N@@H+](C)[C@H]1C[NH3+] 104589875 573048321 /nfs/dbraw/zinc/04/83/21/573048321.db2.gz YJKQNRAHNWGZPN-ACZMJKKPSA-N 2 2 128.219 0.284 10 0 ACAELP C[C@H]1[C@H](C)[N@H+](C)[C@H]1C[NH3+] 104589875 573048315 /nfs/dbraw/zinc/04/83/15/573048315.db2.gz YJKQNRAHNWGZPN-ACZMJKKPSA-N 2 2 128.219 0.284 10 0 ACAELP CC[N@H+](CC[NH3+])[C@@H]1CCOC1 82456074 573048934 /nfs/dbraw/zinc/04/89/34/573048934.db2.gz WLGLJWYCUHVECO-MRVPVSSYSA-N 2 2 158.245 0.056 10 0 ACAELP CC[N@@H+](CC[NH3+])[C@@H]1CCOC1 82456074 573048939 /nfs/dbraw/zinc/04/89/39/573048939.db2.gz WLGLJWYCUHVECO-MRVPVSSYSA-N 2 2 158.245 0.056 10 0 ACAELP C[C@@H]([NH2+]Cc1cccnn1)C1C[NH2+]C1 686252244 573049238 /nfs/dbraw/zinc/04/92/38/573049238.db2.gz SAAPTUOADJIORZ-MRVPVSSYSA-N 2 2 192.266 0.174 10 0 ACAELP C[NH2+][C@H]([C@H]1CCC[N@H+](C)C1)C1([NH3+])CC1 259320022 573052230 /nfs/dbraw/zinc/05/22/30/573052230.db2.gz RLPSHUIPTOFJLS-VHSXEESVSA-N 3 2 197.326 0.408 10 0 ACAELP C[NH2+][C@H]([C@H]1CCC[N@@H+](C)C1)C1([NH3+])CC1 259320022 573052238 /nfs/dbraw/zinc/05/22/38/573052238.db2.gz RLPSHUIPTOFJLS-VHSXEESVSA-N 3 2 197.326 0.408 10 0 ACAELP CC[NH+](CC)[C@H]1COC[C@@H]1[NH3+] 238260167 573052606 /nfs/dbraw/zinc/05/26/06/573052606.db2.gz ICVFZOXIJBGTNT-YUMQZZPRSA-N 2 2 158.245 0.054 10 0 ACAELP C[NH2+][C@@H]([C@H]1CCC[N@H+](C)C1)C1([NH3+])CC1 259320019 573052681 /nfs/dbraw/zinc/05/26/81/573052681.db2.gz RLPSHUIPTOFJLS-UWVGGRQHSA-N 3 2 197.326 0.408 10 0 ACAELP C[NH2+][C@@H]([C@H]1CCC[N@@H+](C)C1)C1([NH3+])CC1 259320019 573052688 /nfs/dbraw/zinc/05/26/88/573052688.db2.gz RLPSHUIPTOFJLS-UWVGGRQHSA-N 3 2 197.326 0.408 10 0 ACAELP c1c[nH+]c(Cn2cc[nH+]c2)[nH]1 104595129 573052769 /nfs/dbraw/zinc/05/27/69/573052769.db2.gz PQTBEPACVMYXCE-UHFFFAOYSA-N 2 2 148.169 0.655 10 0 ACAELP C[C@@H]1C[NH+](CC2([NH3+])CCC2)C[C@@H](C)O1 88051634 573053155 /nfs/dbraw/zinc/05/31/55/573053155.db2.gz DEGVARFXBAPCQO-NXEZZACHSA-N 2 2 198.310 0.977 10 0 ACAELP [NH3+][C@H]1CC[C@@H]([NH2+]Cc2ccon2)C1 88052853 573053336 /nfs/dbraw/zinc/05/33/36/573053336.db2.gz MNPQALGPHWJJLD-JGVFFNPUSA-N 2 2 181.239 0.644 10 0 ACAELP C[NH+](C)c1ccc(O)c(CC[NH3+])c1 257938085 573053508 /nfs/dbraw/zinc/05/35/08/573053508.db2.gz CPNSZBODYMAMKV-UHFFFAOYSA-N 2 2 180.251 0.959 10 0 ACAELP [NH3+][C@@H]1CC[C@@H]([NH2+]Cc2ccon2)C1 88052855 573053567 /nfs/dbraw/zinc/05/35/67/573053567.db2.gz MNPQALGPHWJJLD-HTQZYQBOSA-N 2 2 181.239 0.644 10 0 ACAELP CC[C@@H]1C[N@H+](CC2([NH3+])CCC2)CCO1 88051763 573053892 /nfs/dbraw/zinc/05/38/92/573053892.db2.gz MZXRGGXUUAPUDN-SNVBAGLBSA-N 2 2 198.310 0.979 10 0 ACAELP CC[C@@H]1C[N@@H+](CC2([NH3+])CCC2)CCO1 88051763 573053901 /nfs/dbraw/zinc/05/39/01/573053901.db2.gz MZXRGGXUUAPUDN-SNVBAGLBSA-N 2 2 198.310 0.979 10 0 ACAELP C[C@H]1C[N@H+](CC2([NH3+])CCC2)[C@H](C)CO1 88051760 573054082 /nfs/dbraw/zinc/05/40/82/573054082.db2.gz BDMBVTIKATTWOS-ZJUUUORDSA-N 2 2 198.310 0.977 10 0 ACAELP C[C@H]1C[N@@H+](CC2([NH3+])CCC2)[C@H](C)CO1 88051760 573054091 /nfs/dbraw/zinc/05/40/91/573054091.db2.gz BDMBVTIKATTWOS-ZJUUUORDSA-N 2 2 198.310 0.977 10 0 ACAELP Cc1[nH]c(C[C@H]2CC[NH2+]C2)c[nH+]1 257933012 573054298 /nfs/dbraw/zinc/05/42/98/573054298.db2.gz AXLOKBKCDDDCIE-MRVPVSSYSA-N 2 2 165.240 0.870 10 0 ACAELP CC1(C)COCC[N@@H+]1CC1([NH3+])CCC1 88051901 573054406 /nfs/dbraw/zinc/05/44/06/573054406.db2.gz RIIOFGPJYRVKGK-UHFFFAOYSA-N 2 2 198.310 0.979 10 0 ACAELP CC1(C)COCC[N@H+]1CC1([NH3+])CCC1 88051901 573054413 /nfs/dbraw/zinc/05/44/13/573054413.db2.gz RIIOFGPJYRVKGK-UHFFFAOYSA-N 2 2 198.310 0.979 10 0 ACAELP [NH3+]C1([NH3+])CCCCCC1 104595709 573054529 /nfs/dbraw/zinc/05/45/29/573054529.db2.gz OEKJORBYIFXKLI-UHFFFAOYSA-N 2 2 128.219 0.954 10 0 ACAELP CC[NH+](CC)[C@H]1COC[C@H]1[NH3+] 238260184 573054561 /nfs/dbraw/zinc/05/45/61/573054561.db2.gz ICVFZOXIJBGTNT-SFYZADRCSA-N 2 2 158.245 0.054 10 0 ACAELP CC[C@H]1COCC[N@@H+]1CC1([NH3+])CCC1 88051797 573054711 /nfs/dbraw/zinc/05/47/11/573054711.db2.gz SSEGFGOKMIWTOM-JTQLQIEISA-N 2 2 198.310 0.979 10 0 ACAELP CC[C@H]1COCC[N@H+]1CC1([NH3+])CCC1 88051797 573054715 /nfs/dbraw/zinc/05/47/15/573054715.db2.gz SSEGFGOKMIWTOM-JTQLQIEISA-N 2 2 198.310 0.979 10 0 ACAELP Cc1[nH]c(C[C@@H]2CC[NH2+]C2)c[nH+]1 257933027 573054732 /nfs/dbraw/zinc/05/47/32/573054732.db2.gz AXLOKBKCDDDCIE-QMMMGPOBSA-N 2 2 165.240 0.870 10 0 ACAELP [NH3+][C@@H]1CC[C@H]([NH2+]Cc2ccon2)C1 88052856 573054743 /nfs/dbraw/zinc/05/47/43/573054743.db2.gz MNPQALGPHWJJLD-SFYZADRCSA-N 2 2 181.239 0.644 10 0 ACAELP C[C@H]1C[NH+](CC2([NH3+])CCC2)C[C@H](C)O1 88051633 573055055 /nfs/dbraw/zinc/05/50/55/573055055.db2.gz DEGVARFXBAPCQO-UWVGGRQHSA-N 2 2 198.310 0.977 10 0 ACAELP CC[C@@H]1COCC[N@@H+]1CC1([NH3+])CCC1 88051796 573055238 /nfs/dbraw/zinc/05/52/38/573055238.db2.gz SSEGFGOKMIWTOM-SNVBAGLBSA-N 2 2 198.310 0.979 10 0 ACAELP CC[C@@H]1COCC[N@H+]1CC1([NH3+])CCC1 88051796 573055246 /nfs/dbraw/zinc/05/52/46/573055246.db2.gz SSEGFGOKMIWTOM-SNVBAGLBSA-N 2 2 198.310 0.979 10 0 ACAELP c1cc(C[NH2+]C2CC[NH2+]CC2)no1 88052393 573055440 /nfs/dbraw/zinc/05/54/40/573055440.db2.gz AQKJBXDETJIAOS-UHFFFAOYSA-N 2 2 181.239 0.516 10 0 ACAELP CC[C@H]1C[N@@H+](CC2([NH3+])CCC2)CCO1 88051764 573055965 /nfs/dbraw/zinc/05/59/65/573055965.db2.gz MZXRGGXUUAPUDN-JTQLQIEISA-N 2 2 198.310 0.979 10 0 ACAELP C[C@@H]([NH3+])n1cc[nH+]c1 104601750 573055785 /nfs/dbraw/zinc/05/57/85/573055785.db2.gz VNQMPGVSKGMQSI-YFKPBYRVSA-N 2 2 111.148 0.360 10 0 ACAELP CC[C@H]1C[N@H+](CC2([NH3+])CCC2)CCO1 88051764 573055956 /nfs/dbraw/zinc/05/59/56/573055956.db2.gz MZXRGGXUUAPUDN-JTQLQIEISA-N 2 2 198.310 0.979 10 0 ACAELP C[NH2+][C@@H]([C@@H]1CCC[N@H+](C)C1)C1([NH3+])CC1 259320026 573055986 /nfs/dbraw/zinc/05/59/86/573055986.db2.gz RLPSHUIPTOFJLS-ZJUUUORDSA-N 3 2 197.326 0.408 10 0 ACAELP C[NH2+][C@@H]([C@@H]1CCC[N@@H+](C)C1)C1([NH3+])CC1 259320026 573055993 /nfs/dbraw/zinc/05/59/93/573055993.db2.gz RLPSHUIPTOFJLS-ZJUUUORDSA-N 3 2 197.326 0.408 10 0 ACAELP C[N@@H+]1CCC[C@]1(C[NH3+])c1cccnc1 114019852 573056157 /nfs/dbraw/zinc/05/61/57/573056157.db2.gz HHVYHWMYBLHTND-NSHDSACASA-N 2 2 191.278 0.961 10 0 ACAELP C[N@H+]1CCC[C@]1(C[NH3+])c1cccnc1 114019852 573056166 /nfs/dbraw/zinc/05/61/66/573056166.db2.gz HHVYHWMYBLHTND-NSHDSACASA-N 2 2 191.278 0.961 10 0 ACAELP CC1(C)C[N@H+](CC2([NH3+])CCC2)CCO1 88051792 573056541 /nfs/dbraw/zinc/05/65/41/573056541.db2.gz CFLNSVGFEGGFPK-UHFFFAOYSA-N 2 2 198.310 0.979 10 0 ACAELP CC1(C)C[N@@H+](CC2([NH3+])CCC2)CCO1 88051792 573056544 /nfs/dbraw/zinc/05/65/44/573056544.db2.gz CFLNSVGFEGGFPK-UHFFFAOYSA-N 2 2 198.310 0.979 10 0 ACAELP C[C@@H]1C[N@H+](CC2([NH3+])CCC2)[C@H](C)CO1 88051759 573056880 /nfs/dbraw/zinc/05/68/80/573056880.db2.gz BDMBVTIKATTWOS-NXEZZACHSA-N 2 2 198.310 0.977 10 0 ACAELP C[C@@H]1C[N@@H+](CC2([NH3+])CCC2)[C@H](C)CO1 88051759 573056883 /nfs/dbraw/zinc/05/68/83/573056883.db2.gz BDMBVTIKATTWOS-NXEZZACHSA-N 2 2 198.310 0.977 10 0 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GUTZPHQALKTVSU-WDEREUQCSA-N 3 2 199.342 0.750 10 0 ACAELP CO[C@H](C)CC[NH2+][C@H]1CC[N@H+](C)C1 308487106 573059950 /nfs/dbraw/zinc/05/99/50/573059950.db2.gz PPJDQPVMPJKPBY-ZJUUUORDSA-N 2 2 186.299 0.705 10 0 ACAELP CO[C@H](C)CC[NH2+][C@H]1CC[N@@H+](C)C1 308487106 573059958 /nfs/dbraw/zinc/05/99/58/573059958.db2.gz PPJDQPVMPJKPBY-ZJUUUORDSA-N 2 2 186.299 0.705 10 0 ACAELP C[C@H]([NH3+])n1cc[nH+]c1 104601755 573060058 /nfs/dbraw/zinc/06/00/58/573060058.db2.gz VNQMPGVSKGMQSI-RXMQYKEDSA-N 2 2 111.148 0.360 10 0 ACAELP CC(C)NC(=[NH2+])N1CC[N@H+](C)[C@H](C)C1 82477314 573060286 /nfs/dbraw/zinc/06/02/86/573060286.db2.gz NSGXHGIRAXGBFF-SECBINFHSA-N 2 2 198.314 0.555 10 0 ACAELP CC(C)NC(=[NH2+])N1CC[N@@H+](C)[C@H](C)C1 82477314 573060291 /nfs/dbraw/zinc/06/02/91/573060291.db2.gz NSGXHGIRAXGBFF-SECBINFHSA-N 2 2 198.314 0.555 10 0 ACAELP CC(C)NC(=[NH2+])N1CC[N@H+](C)[C@@H](C)C1 82477315 573060522 /nfs/dbraw/zinc/06/05/22/573060522.db2.gz NSGXHGIRAXGBFF-VIFPVBQESA-N 2 2 198.314 0.555 10 0 ACAELP 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C[NH+]1CC[C@@H]2NC[C@@H]3CCC[N@@H+]3[C@H]2C1 257758019 573211088 /nfs/dbraw/zinc/21/10/88/573211088.db2.gz BKJGRXDSOMPPQT-DCAQKATOSA-N 2 2 195.310 0.127 10 0 ACAELP C[NH+]1CC[C@@H]2NC[C@@H]3CCC[N@H+]3[C@H]2C1 257758019 573211096 /nfs/dbraw/zinc/21/10/96/573211096.db2.gz BKJGRXDSOMPPQT-DCAQKATOSA-N 2 2 195.310 0.127 10 0 ACAELP CC[C@@H](C[NH3+])[C@@H](O)c1c[nH+]cn1CC 85926299 573211386 /nfs/dbraw/zinc/21/13/86/573211386.db2.gz SKLDVPJOTLYGTR-WCBMZHEXSA-N 2 2 197.282 0.921 10 0 ACAELP C[C@@H](CCO)[NH2+][C@H]1C[N@H+](C)C[C@H]1C 308308335 573213465 /nfs/dbraw/zinc/21/34/65/573213465.db2.gz PKBAZSVXIZDOJM-UTLUCORTSA-N 2 2 186.299 0.297 10 0 ACAELP C[C@@H](CCO)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 308308335 573213470 /nfs/dbraw/zinc/21/34/70/573213470.db2.gz PKBAZSVXIZDOJM-UTLUCORTSA-N 2 2 186.299 0.297 10 0 ACAELP CC[NH2+][C@@]1(CN)CC[N@@H+]2CCCC[C@@H]21 123852821 573213535 /nfs/dbraw/zinc/21/35/35/573213535.db2.gz NMRMAJWZYZJQHL-GHMZBOCLSA-N 2 2 197.326 0.552 10 0 ACAELP CC[NH2+][C@@]1(CN)CC[N@H+]2CCCC[C@@H]21 123852821 573213540 /nfs/dbraw/zinc/21/35/40/573213540.db2.gz NMRMAJWZYZJQHL-GHMZBOCLSA-N 2 2 197.326 0.552 10 0 ACAELP C[C@H]([NH2+]Cc1cnc[nH]1)[C@H]1CC[NH2+]C1 400395982 573213689 /nfs/dbraw/zinc/21/36/89/573213689.db2.gz JKSMCBHRLNDNBG-IUCAKERBSA-N 2 2 194.282 0.497 10 0 ACAELP C[C@@H]([NH2+]Cc1cnc[nH]1)[C@H]1CC[NH2+]C1 400395976 573213766 /nfs/dbraw/zinc/21/37/66/573213766.db2.gz JKSMCBHRLNDNBG-BDAKNGLRSA-N 2 2 194.282 0.497 10 0 ACAELP Cc1cccc2c1C[NH2+][C@H](C[NH3+])C2 257973106 573214686 /nfs/dbraw/zinc/21/46/86/573214686.db2.gz YUTCHYKOUHKXKB-JTQLQIEISA-N 2 2 176.263 0.968 10 0 ACAELP C[C@H]([NH2+]Cc1cnc[nH]1)[C@@H]1CC[NH2+]C1 400395979 573215750 /nfs/dbraw/zinc/21/57/50/573215750.db2.gz JKSMCBHRLNDNBG-DTWKUNHWSA-N 2 2 194.282 0.497 10 0 ACAELP Cc1cc(N(C)C)ncc1[C@@H]([NH3+])C[NH3+] 238308464 573216599 /nfs/dbraw/zinc/21/65/99/573216599.db2.gz KARCCRBNRWQYPQ-VIFPVBQESA-N 2 2 194.282 0.415 10 0 ACAELP C[N@@H+]1CC[C@H](C(F)F)[C@@H]([NH3+])C1 238308299 573217960 /nfs/dbraw/zinc/21/79/60/573217960.db2.gz HQEDSMWBSMAOTQ-WDSKDSINSA-N 2 2 164.199 0.531 10 0 ACAELP C[N@H+]1CC[C@H](C(F)F)[C@@H]([NH3+])C1 238308299 573217962 /nfs/dbraw/zinc/21/79/62/573217962.db2.gz HQEDSMWBSMAOTQ-WDSKDSINSA-N 2 2 164.199 0.531 10 0 ACAELP C[N@H+](C[C@H]([NH3+])CC1CC1)[C@@H]1CCOC1 308519453 573219553 /nfs/dbraw/zinc/21/95/53/573219553.db2.gz GZMHPNYODJQQNC-GHMZBOCLSA-N 2 2 198.310 0.835 10 0 ACAELP C[N@@H+](C[C@H]([NH3+])CC1CC1)[C@@H]1CCOC1 308519453 573219559 /nfs/dbraw/zinc/21/95/59/573219559.db2.gz GZMHPNYODJQQNC-GHMZBOCLSA-N 2 2 198.310 0.835 10 0 ACAELP C[NH2+]CCc1c(C)[nH+]cn1C 258590549 573220158 /nfs/dbraw/zinc/22/01/58/573220158.db2.gz NEVQBSGVDVRUAC-UHFFFAOYSA-N 2 2 153.229 0.490 10 0 ACAELP C[C@@H]1C[N@@H+]([C@@H]2CC[NH2+]C2)C[C@@H]1C 86010093 573223851 /nfs/dbraw/zinc/22/38/51/573223851.db2.gz JJSVBKSYPRQTLY-KXUCPTDWSA-N 2 2 168.284 0.936 10 0 ACAELP Cn1cc[nH+]c1CC[N@H+](C)CCC[NH3+] 125932772 573221959 /nfs/dbraw/zinc/22/19/59/573221959.db2.gz LCTHAYYAHLMDMY-UHFFFAOYSA-N 3 2 196.298 0.243 10 0 ACAELP Cn1cc[nH+]c1CC[N@@H+](C)CCC[NH3+] 125932772 573221967 /nfs/dbraw/zinc/22/19/67/573221967.db2.gz LCTHAYYAHLMDMY-UHFFFAOYSA-N 3 2 196.298 0.243 10 0 ACAELP C[N@@H+]1C[C@@]2(C[NH3+])C[C@@](C[NH3+])(C1)C2(C)C 238320696 573222318 /nfs/dbraw/zinc/22/23/18/573222318.db2.gz VDDDJVCKXGGGMY-PHIMTYICSA-N 3 2 197.326 0.252 10 0 ACAELP C[N@H+]1C[C@@]2(C[NH3+])C[C@@](C[NH3+])(C1)C2(C)C 238320696 573222323 /nfs/dbraw/zinc/22/23/23/573222323.db2.gz VDDDJVCKXGGGMY-PHIMTYICSA-N 3 2 197.326 0.252 10 0 ACAELP C[C@@H]1C[N@H+]([C@@H]2CC[NH2+]C2)C[C@@H]1C 86010093 573223845 /nfs/dbraw/zinc/22/38/45/573223845.db2.gz JJSVBKSYPRQTLY-KXUCPTDWSA-N 2 2 168.284 0.936 10 0 ACAELP O=C(C[NH+]1CCCC1)[C@H]1CC[NH2+]1 259384399 573224455 /nfs/dbraw/zinc/22/44/55/573224455.db2.gz QZJGDJGPMFGDQB-MRVPVSSYSA-N 2 2 168.240 0.013 10 0 ACAELP C[N@H+]1CC[C@@](C)([NH3+])[C@H](F)C1 258597532 573226695 /nfs/dbraw/zinc/22/66/95/573226695.db2.gz UOOAEAOAFMAUTG-RNFRBKRXSA-N 2 2 146.209 0.377 10 0 ACAELP C[N@@H+]1CC[C@@H](C2CC2)[C@@H]([NH3+])C1 238321217 573226646 /nfs/dbraw/zinc/22/66/46/573226646.db2.gz OYXYIWKMLVNFID-IUCAKERBSA-N 2 2 154.257 0.675 10 0 ACAELP C[N@H+]1CC[C@@H](C2CC2)[C@@H]([NH3+])C1 238321217 573226650 /nfs/dbraw/zinc/22/66/50/573226650.db2.gz OYXYIWKMLVNFID-IUCAKERBSA-N 2 2 154.257 0.675 10 0 ACAELP C[N@@H+]1CC[C@@](C)([NH3+])[C@H](F)C1 258597532 573226689 /nfs/dbraw/zinc/22/66/89/573226689.db2.gz UOOAEAOAFMAUTG-RNFRBKRXSA-N 2 2 146.209 0.377 10 0 ACAELP C[C@@H]1C[N@@H+](CC(N)=[NH2+])C[C@@H]1C 86010193 573226318 /nfs/dbraw/zinc/22/63/18/573226318.db2.gz RIWGPNMNGJEHGS-KNVOCYPGSA-N 2 2 155.245 0.510 10 0 ACAELP C[C@@H]1C[N@H+](CC(N)=[NH2+])C[C@@H]1C 86010193 573226322 /nfs/dbraw/zinc/22/63/22/573226322.db2.gz RIWGPNMNGJEHGS-KNVOCYPGSA-N 2 2 155.245 0.510 10 0 ACAELP Cc1[nH+]c[nH]c1C(C)(C)[NH3+] 82837646 573227172 /nfs/dbraw/zinc/22/71/72/573227172.db2.gz ALCYWELUPUVEPC-UHFFFAOYSA-N 2 2 139.202 0.912 10 0 ACAELP [NH3+][C@@H](CC1CC1)C[N@@H+]1CCCOCC1 308519979 573227216 /nfs/dbraw/zinc/22/72/16/573227216.db2.gz HGNIYZKTTNIKTL-NSHDSACASA-N 2 2 198.310 0.836 10 0 ACAELP [NH3+][C@@H](CC1CC1)C[N@H+]1CCCOCC1 308519979 573227220 /nfs/dbraw/zinc/22/72/20/573227220.db2.gz HGNIYZKTTNIKTL-NSHDSACASA-N 2 2 198.310 0.836 10 0 ACAELP C[C@@]([NH3+])(C[NH3+])c1ccc2ncoc2c1 259038858 573227500 /nfs/dbraw/zinc/22/75/00/573227500.db2.gz KKAHMBRHONWIHD-SNVBAGLBSA-N 2 2 191.234 0.960 10 0 ACAELP COC[C@@H](C)[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 308852847 573231035 /nfs/dbraw/zinc/23/10/35/573231035.db2.gz GHUFFPQUSHLYDA-MWLCHTKSSA-N 2 2 198.310 0.848 10 0 ACAELP COC[C@@H](C)[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 308852847 573231040 /nfs/dbraw/zinc/23/10/40/573231040.db2.gz GHUFFPQUSHLYDA-MWLCHTKSSA-N 2 2 198.310 0.848 10 0 ACAELP C[N@H+](CC[NH2+]C1CC1)C[C@H]1CCOC1 42691250 573231067 /nfs/dbraw/zinc/23/10/67/573231067.db2.gz CLIHUDHPQCJQFG-SNVBAGLBSA-N 2 2 198.310 0.707 10 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GXDXYMXUMNFVCJ-SECBINFHSA-N 2 2 172.272 0.520 10 0 ACAELP C[NH+](C)[C@H](c1cccnc1)C1C[NH2+]C1 259604313 573241860 /nfs/dbraw/zinc/24/18/60/573241860.db2.gz QQBLNHYBEJWRDB-LLVKDONJSA-N 2 2 191.278 0.904 10 0 ACAELP CC(=O)CCC[N@@H+]1CCC[C@H]([NH3+])C1 50149777 573241665 /nfs/dbraw/zinc/24/16/65/573241665.db2.gz DTTXVKWNLVAISP-JTQLQIEISA-N 2 2 184.283 0.779 10 0 ACAELP CC(=O)CCC[N@H+]1CCC[C@H]([NH3+])C1 50149777 573241672 /nfs/dbraw/zinc/24/16/72/573241672.db2.gz DTTXVKWNLVAISP-JTQLQIEISA-N 2 2 184.283 0.779 10 0 ACAELP [NH3+][C@@H](CO)C[NH2+]Cc1ccccc1 116096011 573241820 /nfs/dbraw/zinc/24/18/20/573241820.db2.gz VRTIPIBCAYEIOS-SNVBAGLBSA-N 2 2 180.251 0.096 10 0 ACAELP CC(=O)CCC[N@@H+]1CCC[C@@H]([NH3+])C1 50149779 573241902 /nfs/dbraw/zinc/24/19/02/573241902.db2.gz DTTXVKWNLVAISP-SNVBAGLBSA-N 2 2 184.283 0.779 10 0 ACAELP CC(=O)CCC[N@H+]1CCC[C@@H]([NH3+])C1 50149779 573241910 /nfs/dbraw/zinc/24/19/10/573241910.db2.gz DTTXVKWNLVAISP-SNVBAGLBSA-N 2 2 184.283 0.779 10 0 ACAELP 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/nfs/dbraw/zinc/28/14/55/573281455.db2.gz FGSJQRQHDKRHPG-KXUCPTDWSA-N 2 2 184.283 0.315 10 0 ACAELP COC[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923256 573281459 /nfs/dbraw/zinc/28/14/59/573281459.db2.gz FGSJQRQHDKRHPG-KXUCPTDWSA-N 2 2 184.283 0.315 10 0 ACAELP C[NH2+][C@H](c1cc[nH]c1)C1([NH3+])CC1 259067595 573285002 /nfs/dbraw/zinc/28/50/02/573285002.db2.gz BQANFEFTKUAVFN-MRVPVSSYSA-N 2 2 165.240 0.767 10 0 ACAELP Cn1c[nH+]cc1COC1CC([NH3+])C1 236088371 573282203 /nfs/dbraw/zinc/28/22/03/573282203.db2.gz ICYUBLDBBYHICQ-UHFFFAOYSA-N 2 2 181.239 0.426 10 0 ACAELP C[NH2+][C@H](C)c1cc(N)cc[nH+]1 238332500 573282223 /nfs/dbraw/zinc/28/22/23/573282223.db2.gz BMJUJZHKZUXLJT-ZCFIWIBFSA-N 2 2 151.213 0.944 10 0 ACAELP CCc1ccc(NC[C@H]([NH3+])C[NH3+])cc1 259066273 573282417 /nfs/dbraw/zinc/28/24/17/573282417.db2.gz WZNOPDMIGNRTTH-SNVBAGLBSA-N 2 2 193.294 0.947 10 0 ACAELP Cn1cnc2c1CC[N@H+](C)[C@H]2CC[NH3+] 74245990 573282435 /nfs/dbraw/zinc/28/24/35/573282435.db2.gz DXBIHCSLMXBYDC-QMMMGPOBSA-N 2 2 194.282 0.298 10 0 ACAELP Cn1cnc2c1CC[N@@H+](C)[C@H]2CC[NH3+] 74245990 573282443 /nfs/dbraw/zinc/28/24/43/573282443.db2.gz DXBIHCSLMXBYDC-QMMMGPOBSA-N 2 2 194.282 0.298 10 0 ACAELP CN1CCc2c([nH+]cn2C)[C@@H]1CC[NH3+] 74245990 573282450 /nfs/dbraw/zinc/28/24/50/573282450.db2.gz DXBIHCSLMXBYDC-QMMMGPOBSA-N 2 2 194.282 0.298 10 0 ACAELP CCn1c[nH+]c2c1CC[C@@H]([NH3+])C2 116473971 573282475 /nfs/dbraw/zinc/28/24/75/573282475.db2.gz MNKNOSBYYISMPM-SSDOTTSWSA-N 2 2 165.240 0.719 10 0 ACAELP Cn1c[nH+]cc1CO[C@@H]1CC[C@@H]([NH3+])C1 236088908 573282584 /nfs/dbraw/zinc/28/25/84/573282584.db2.gz HZNVNSICORKRBP-PSASIEDQSA-N 2 2 195.266 0.817 10 0 ACAELP C[N@@H+]1CCc2[nH+]cn(CCC[NH3+])c2C1 74246018 573282634 /nfs/dbraw/zinc/28/26/34/573282634.db2.gz UUWNYROANZQLFK-UHFFFAOYSA-N 3 2 194.282 0.220 10 0 ACAELP C[N@H+]1CCc2[nH+]cn(CCC[NH3+])c2C1 74246018 573282638 /nfs/dbraw/zinc/28/26/38/573282638.db2.gz UUWNYROANZQLFK-UHFFFAOYSA-N 3 2 194.282 0.220 10 0 ACAELP Cc1noc2c1CC[N@@H+](C)[C@H]2CC[NH3+] 74243983 573282742 /nfs/dbraw/zinc/28/27/42/573282742.db2.gz GQKRIRHHWYNWCW-VIFPVBQESA-N 2 2 195.266 0.861 10 0 ACAELP Cc1noc2c1CC[N@H+](C)[C@H]2CC[NH3+] 74243983 573282748 /nfs/dbraw/zinc/28/27/48/573282748.db2.gz GQKRIRHHWYNWCW-VIFPVBQESA-N 2 2 195.266 0.861 10 0 ACAELP Cn1c[nH+]cc1CO[C@H]1CCC[C@H]1[NH3+] 236089008 573282820 /nfs/dbraw/zinc/28/28/20/573282820.db2.gz UFAYDHJKDRLFRB-ZJUUUORDSA-N 2 2 195.266 0.817 10 0 ACAELP C1CO[C@H](C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)C1 82923193 573283478 /nfs/dbraw/zinc/28/34/78/573283478.db2.gz GYWDMMILZAVBIR-GARJFASQSA-N 2 2 196.294 0.459 10 0 ACAELP C[N@@H+]1CC[C@H]([NH3+])[C@@H](C[NH+]2CCCC2)C1 238332951 573283053 /nfs/dbraw/zinc/28/30/53/573283053.db2.gz SLZCAWDHJYHNRP-MNOVXSKESA-N 3 2 197.326 0.361 10 0 ACAELP C[N@H+]1CC[C@H]([NH3+])[C@@H](C[NH+]2CCCC2)C1 238332951 573283058 /nfs/dbraw/zinc/28/30/58/573283058.db2.gz SLZCAWDHJYHNRP-MNOVXSKESA-N 3 2 197.326 0.361 10 0 ACAELP C[C@H]([NH3+])c1ccc(=O)n2c1[NH2+]CC2 105710136 573283082 /nfs/dbraw/zinc/28/30/82/573283082.db2.gz SUQQKKKZZBWRFE-LURJTMIESA-N 2 2 179.223 0.294 10 0 ACAELP Cc1cc(=O)n2c(c1C[NH3+])[NH2+]CC2 105710141 573283111 /nfs/dbraw/zinc/28/31/11/573283111.db2.gz DLCJGXSWLQXIOF-UHFFFAOYSA-N 2 2 179.223 0.041 10 0 ACAELP Cn1cnc2c1CC[N@H+](C)[C@@H]2CC[NH3+] 74245988 573283150 /nfs/dbraw/zinc/28/31/50/573283150.db2.gz DXBIHCSLMXBYDC-MRVPVSSYSA-N 2 2 194.282 0.298 10 0 ACAELP Cn1cnc2c1CC[N@@H+](C)[C@@H]2CC[NH3+] 74245988 573283157 /nfs/dbraw/zinc/28/31/57/573283157.db2.gz DXBIHCSLMXBYDC-MRVPVSSYSA-N 2 2 194.282 0.298 10 0 ACAELP CN1CCc2c([nH+]cn2C)[C@H]1CC[NH3+] 74245988 573283163 /nfs/dbraw/zinc/28/31/63/573283163.db2.gz DXBIHCSLMXBYDC-MRVPVSSYSA-N 2 2 194.282 0.298 10 0 ACAELP C1CO[C@H](C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)C1 82923193 573283472 /nfs/dbraw/zinc/28/34/72/573283472.db2.gz GYWDMMILZAVBIR-GARJFASQSA-N 2 2 196.294 0.459 10 0 ACAELP Cn1c[nH+]cc1COC1(C)C[NH2+]C1 236088346 573284134 /nfs/dbraw/zinc/28/41/34/573284134.db2.gz BAMDPZMYFJCRRN-UHFFFAOYSA-N 2 2 181.239 0.299 10 0 ACAELP CO[C@](C)(C[NH2+][C@@H]1CC[NH2+]C1)C1CC1 308539269 573284329 /nfs/dbraw/zinc/28/43/29/573284329.db2.gz SUAQJNZJPQZARL-GHMZBOCLSA-N 2 2 198.310 0.753 10 0 ACAELP N[C@@H](C[NH3+])C[NH2+]Cc1ccc(F)cc1 259068753 573287975 /nfs/dbraw/zinc/28/79/75/573287975.db2.gz QNXXZSJQQLFSKO-JTQLQIEISA-N 2 2 197.257 0.201 10 0 ACAELP [NH3+]C[C@H]([NH3+])CNCc1ccc(F)cc1 259068753 573287980 /nfs/dbraw/zinc/28/79/80/573287980.db2.gz QNXXZSJQQLFSKO-JTQLQIEISA-N 2 2 197.257 0.201 10 0 ACAELP CN(C)CC[NH2+][C@@](C)(C[NH3+])C1CCC1 393581088 573284987 /nfs/dbraw/zinc/28/49/87/573284987.db2.gz HTSUVUQATYRFFA-NSHDSACASA-N 2 2 199.342 0.655 10 0 ACAELP [NH3+]CC(F)(F)[C@@H]1CCC[NH2+]1 258619917 573289497 /nfs/dbraw/zinc/28/94/97/573289497.db2.gz WOLDGIPVJXTTCP-YFKPBYRVSA-N 2 2 150.172 0.332 10 0 ACAELP CN(C)c1cc[nH+]c(C2C[NH2+]C2)c1 238333867 573285602 /nfs/dbraw/zinc/28/56/02/573285602.db2.gz KXIVBOWYDGDLQB-UHFFFAOYSA-N 2 2 177.251 0.834 10 0 ACAELP [NH3+]C[C@H]([NH3+])c1ccc2oc(=O)[nH]c2c1 259067107 573285650 /nfs/dbraw/zinc/28/56/50/573285650.db2.gz MYSPKMXCXUHGFT-LURJTMIESA-N 2 2 193.206 0.080 10 0 ACAELP C[C@@H](CO)[NH2+]CCCCn1cc[nH+]c1 308538723 573285731 /nfs/dbraw/zinc/28/57/31/573285731.db2.gz MCFFPJPZURYFFQ-JTQLQIEISA-N 2 2 197.282 0.634 10 0 ACAELP CC[C@@H](C(N)=[NH2+])[N@@H+]1CC[C@@](C)(OC)C1 308541564 573289507 /nfs/dbraw/zinc/28/95/07/573289507.db2.gz UHGANGZPGPVHCM-WCBMZHEXSA-N 2 2 199.298 0.812 10 0 ACAELP C[C@@H]1C[C@H]([NH2+]CC2(CO)CC2)C[N@@H+]1C 132357323 573286608 /nfs/dbraw/zinc/28/66/08/573286608.db2.gz OAKCITHQVRASLQ-ZJUUUORDSA-N 2 2 198.310 0.441 10 0 ACAELP C[C@@H]1C[C@H]([NH2+]CC2(CO)CC2)C[N@H+]1C 132357323 573286614 /nfs/dbraw/zinc/28/66/14/573286614.db2.gz OAKCITHQVRASLQ-ZJUUUORDSA-N 2 2 198.310 0.441 10 0 ACAELP CC[C@H](C(N)=[NH2+])[N@@H+]1CC[C@@](C)(OC)C1 308541562 573286667 /nfs/dbraw/zinc/28/66/67/573286667.db2.gz UHGANGZPGPVHCM-PSASIEDQSA-N 2 2 199.298 0.812 10 0 ACAELP CC[C@H](C(N)=[NH2+])[N@H+]1CC[C@@](C)(OC)C1 308541562 573286673 /nfs/dbraw/zinc/28/66/73/573286673.db2.gz UHGANGZPGPVHCM-PSASIEDQSA-N 2 2 199.298 0.812 10 0 ACAELP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC2)C[N@@H+]1C 132357707 573286717 /nfs/dbraw/zinc/28/67/17/573286717.db2.gz OAKCITHQVRASLQ-NXEZZACHSA-N 2 2 198.310 0.441 10 0 ACAELP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC2)C[N@H+]1C 132357707 573286722 /nfs/dbraw/zinc/28/67/22/573286722.db2.gz OAKCITHQVRASLQ-NXEZZACHSA-N 2 2 198.310 0.441 10 0 ACAELP CCn1cc[nH+]c1CC(=O)CCC[NH3+] 168106421 573286874 /nfs/dbraw/zinc/28/68/74/573286874.db2.gz NKPLEAFBBJIKTE-UHFFFAOYSA-N 2 2 195.266 0.754 10 0 ACAELP C[NH2+]C[C@@H]([NH3+])c1cc[nH]c1 259402121 573287156 /nfs/dbraw/zinc/28/71/56/573287156.db2.gz OCRDEGQQTBDNLC-SSDOTTSWSA-N 2 2 139.202 0.234 10 0 ACAELP CC[N@@H+]1CC=C(C[NH+](C)C)C1 258280097 573287349 /nfs/dbraw/zinc/28/73/49/573287349.db2.gz ZNYVDDTVANSNNF-UHFFFAOYSA-N 2 2 154.257 0.810 10 0 ACAELP CC[N@H+]1CC=C(C[NH+](C)C)C1 258280097 573287356 /nfs/dbraw/zinc/28/73/56/573287356.db2.gz ZNYVDDTVANSNNF-UHFFFAOYSA-N 2 2 154.257 0.810 10 0 ACAELP C[NH2+]C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C(C)C)C1 258278483 573287708 /nfs/dbraw/zinc/28/77/08/573287708.db2.gz VBALGHBCBLAABY-NXEZZACHSA-N 3 2 185.315 0.263 10 0 ACAELP C[NH2+]C[C@@H]([NH3+])[C@@H]1CC[N@H+](C(C)C)C1 258278483 573287714 /nfs/dbraw/zinc/28/77/14/573287714.db2.gz VBALGHBCBLAABY-NXEZZACHSA-N 3 2 185.315 0.263 10 0 ACAELP [NH3+]CC(F)(F)[C@H]1CCC[NH2+]1 258619914 573287745 /nfs/dbraw/zinc/28/77/45/573287745.db2.gz WOLDGIPVJXTTCP-RXMQYKEDSA-N 2 2 150.172 0.332 10 0 ACAELP N[C@H](C[NH3+])C[NH2+]Cc1ccc(F)cc1 259068756 573287780 /nfs/dbraw/zinc/28/77/80/573287780.db2.gz QNXXZSJQQLFSKO-SNVBAGLBSA-N 2 2 197.257 0.201 10 0 ACAELP [NH3+]C[C@@H]([NH3+])CNCc1ccc(F)cc1 259068756 573287784 /nfs/dbraw/zinc/28/77/84/573287784.db2.gz QNXXZSJQQLFSKO-SNVBAGLBSA-N 2 2 197.257 0.201 10 0 ACAELP C[NH2+]C[C@@H]([NH3+])c1ccccc1OC 258278586 573287822 /nfs/dbraw/zinc/28/78/22/573287822.db2.gz VCIDYVFQQMJYGD-SECBINFHSA-N 2 2 180.251 0.914 10 0 ACAELP CC[C@@H](C(N)=[NH2+])[N@H+]1CC[C@@](C)(OC)C1 308541564 573289514 /nfs/dbraw/zinc/28/95/14/573289514.db2.gz UHGANGZPGPVHCM-WCBMZHEXSA-N 2 2 199.298 0.812 10 0 ACAELP C[NH2+]C[C@H]([NH3+])c1ccccc1OC 258278588 573288533 /nfs/dbraw/zinc/28/85/33/573288533.db2.gz VCIDYVFQQMJYGD-VIFPVBQESA-N 2 2 180.251 0.914 10 0 ACAELP C[C@]([NH3+])(C[NH3+])c1ccc2c(c1)OCO2 259067089 573288596 /nfs/dbraw/zinc/28/85/96/573288596.db2.gz MYRSBFMYERBWTF-JTQLQIEISA-N 2 2 194.234 0.548 10 0 ACAELP Cc1[nH]c([C@H]2C[NH2+]CCC2=O)c(C)[nH+]1 74247940 573288815 /nfs/dbraw/zinc/28/88/15/573288815.db2.gz LWWRBGMUNYMHRG-QMMMGPOBSA-N 2 2 193.250 0.673 10 0 ACAELP Cc1ccc(C[NH2+]C[C@H](N)C[NH3+])cc1 259069788 573288863 /nfs/dbraw/zinc/28/88/63/573288863.db2.gz XDLGQYYZJVDISN-LLVKDONJSA-N 2 2 193.294 0.371 10 0 ACAELP C[C@H]1C[C@@H]([NH2+]CC2(CO)CC2)C[N@@H+]1C 132357932 573289208 /nfs/dbraw/zinc/28/92/08/573289208.db2.gz OAKCITHQVRASLQ-VHSXEESVSA-N 2 2 198.310 0.441 10 0 ACAELP C[C@H]1C[C@@H]([NH2+]CC2(CO)CC2)C[N@H+]1C 132357932 573289215 /nfs/dbraw/zinc/28/92/15/573289215.db2.gz OAKCITHQVRASLQ-VHSXEESVSA-N 2 2 198.310 0.441 10 0 ACAELP CC[C@@H](C(N)=[NH2+])[N@@H+]1CC[C@](C)(OC)C1 308541565 573289253 /nfs/dbraw/zinc/28/92/53/573289253.db2.gz UHGANGZPGPVHCM-WPRPVWTQSA-N 2 2 199.298 0.812 10 0 ACAELP CC[C@@H](C(N)=[NH2+])[N@H+]1CC[C@](C)(OC)C1 308541565 573289258 /nfs/dbraw/zinc/28/92/58/573289258.db2.gz UHGANGZPGPVHCM-WPRPVWTQSA-N 2 2 199.298 0.812 10 0 ACAELP C[NH2+]C[C@H]([NH3+])[C@@H]1CC[N@@H+](C(C)C)C1 258278491 573289389 /nfs/dbraw/zinc/28/93/89/573289389.db2.gz VBALGHBCBLAABY-ZJUUUORDSA-N 3 2 185.315 0.263 10 0 ACAELP C[NH2+]C[C@H]([NH3+])[C@@H]1CC[N@H+](C(C)C)C1 258278491 573289394 /nfs/dbraw/zinc/28/93/94/573289394.db2.gz VBALGHBCBLAABY-ZJUUUORDSA-N 3 2 185.315 0.263 10 0 ACAELP CC[C@@H](C[NH3+])[NH2+]Cc1ccnn1C 393622491 573290370 /nfs/dbraw/zinc/29/03/70/573290370.db2.gz SBDZAKSCIPVBAS-QMMMGPOBSA-N 2 2 182.271 0.247 10 0 ACAELP C[N@@H+]1CC[C@@H](c2c[nH]c(NN)[nH+]2)C1 259070302 573291014 /nfs/dbraw/zinc/29/10/14/573291014.db2.gz KSLCQGRUKDFPQG-ZCFIWIBFSA-N 2 2 181.243 0.114 10 0 ACAELP C[N@H+]1CC[C@@H](c2c[nH]c(NN)[nH+]2)C1 259070302 573291017 /nfs/dbraw/zinc/29/10/17/573291017.db2.gz KSLCQGRUKDFPQG-ZCFIWIBFSA-N 2 2 181.243 0.114 10 0 ACAELP CC(C)C[C@H]([NH3+])[C@@H]1C[N@H+](C)CCN1 259404912 573291370 /nfs/dbraw/zinc/29/13/70/573291370.db2.gz LYESICXOPKXUMI-UWVGGRQHSA-N 2 2 185.315 0.263 10 0 ACAELP CC[C@H](C(N)=[NH2+])[N@@H+]1CC[C@](C)(OC)C1 308541563 573291191 /nfs/dbraw/zinc/29/11/91/573291191.db2.gz UHGANGZPGPVHCM-SCZZXKLOSA-N 2 2 199.298 0.812 10 0 ACAELP CC[C@H](C(N)=[NH2+])[N@H+]1CC[C@](C)(OC)C1 308541563 573291195 /nfs/dbraw/zinc/29/11/95/573291195.db2.gz UHGANGZPGPVHCM-SCZZXKLOSA-N 2 2 199.298 0.812 10 0 ACAELP CC(C)C[C@H]([NH3+])[C@@H]1C[N@@H+](C)CCN1 259404912 573291372 /nfs/dbraw/zinc/29/13/72/573291372.db2.gz LYESICXOPKXUMI-UWVGGRQHSA-N 2 2 185.315 0.263 10 0 ACAELP CC(C)C[C@H]([NH3+])[C@@H]1CN(C)CC[NH2+]1 259404912 573291377 /nfs/dbraw/zinc/29/13/77/573291377.db2.gz LYESICXOPKXUMI-UWVGGRQHSA-N 2 2 185.315 0.263 10 0 ACAELP CC(C)C[C@@H]([NH3+])[C@@H]1C[N@H+](C)CCN1 259404916 573293506 /nfs/dbraw/zinc/29/35/06/573293506.db2.gz LYESICXOPKXUMI-ZJUUUORDSA-N 2 2 185.315 0.263 10 0 ACAELP C[C@]([NH3+])(C[NH3+])c1ccc(F)cc1 259071234 573292292 /nfs/dbraw/zinc/29/22/92/573292292.db2.gz NKNXFVRYTFKYJC-VIFPVBQESA-N 2 2 168.215 0.958 10 0 ACAELP CC(C)C[C@H]([NH3+])[C@H]1C[N@H+](C)CCN1 259404914 573292637 /nfs/dbraw/zinc/29/26/37/573292637.db2.gz LYESICXOPKXUMI-VHSXEESVSA-N 2 2 185.315 0.263 10 0 ACAELP CC(C)C[C@H]([NH3+])[C@H]1C[N@@H+](C)CCN1 259404914 573292643 /nfs/dbraw/zinc/29/26/43/573292643.db2.gz LYESICXOPKXUMI-VHSXEESVSA-N 2 2 185.315 0.263 10 0 ACAELP CC(C)C[C@H]([NH3+])[C@H]1CN(C)CC[NH2+]1 259404914 573292647 /nfs/dbraw/zinc/29/26/47/573292647.db2.gz LYESICXOPKXUMI-VHSXEESVSA-N 2 2 185.315 0.263 10 0 ACAELP FC1(F)C[NH2+]C2(CC[NH2+]CC2)C1 257997423 573292659 /nfs/dbraw/zinc/29/26/59/573292659.db2.gz GCMKHLIHOAEVQR-UHFFFAOYSA-N 2 2 176.210 0.737 10 0 ACAELP Cn1cc[nH+]c1C[C@@H]([NH3+])c1ncc[nH]1 74272402 573292733 /nfs/dbraw/zinc/29/27/33/573292733.db2.gz FEBCXLVXJJMIJY-SSDOTTSWSA-N 2 2 191.238 0.386 10 0 ACAELP [NH3+]CCc1c[nH+]c([C@@H]2CCCOC2)[nH]1 257995633 573292905 /nfs/dbraw/zinc/29/29/05/573292905.db2.gz FUXYWICTHRRXHM-MRVPVSSYSA-N 2 2 195.266 0.805 10 0 ACAELP [NH3+]CCc1c[nH]c([C@@H]2CCCOC2)[nH+]1 257995633 573292912 /nfs/dbraw/zinc/29/29/12/573292912.db2.gz FUXYWICTHRRXHM-MRVPVSSYSA-N 2 2 195.266 0.805 10 0 ACAELP C[C@@]([NH3+])(C[NH3+])c1ccc(F)cc1 259071229 573292930 /nfs/dbraw/zinc/29/29/30/573292930.db2.gz NKNXFVRYTFKYJC-SECBINFHSA-N 2 2 168.215 0.958 10 0 ACAELP c1cc2[nH+]ccn2c([C@H]2CC[NH2+]C2)n1 74277068 573293111 /nfs/dbraw/zinc/29/31/11/573293111.db2.gz XDJVGBPDTHGPCB-QMMMGPOBSA-N 2 2 188.234 0.806 10 0 ACAELP CC(C)C[C@@H]([NH3+])[C@@H]1C[N@@H+](C)CCN1 259404916 573293513 /nfs/dbraw/zinc/29/35/13/573293513.db2.gz LYESICXOPKXUMI-ZJUUUORDSA-N 2 2 185.315 0.263 10 0 ACAELP CC(C)C[C@@H]([NH3+])[C@@H]1CN(C)CC[NH2+]1 259404916 573293521 /nfs/dbraw/zinc/29/35/21/573293521.db2.gz LYESICXOPKXUMI-ZJUUUORDSA-N 2 2 185.315 0.263 10 0 ACAELP Cc1ccc(CN(C)C[C@@H]([NH3+])C[NH3+])o1 259072056 573293615 /nfs/dbraw/zinc/29/36/15/573293615.db2.gz QSHTVIFJZLXHRZ-VIFPVBQESA-N 2 2 197.282 0.306 10 0 ACAELP C[NH+]1CC(C[NH3+])(c2ccncc2)C1 258622284 573296373 /nfs/dbraw/zinc/29/63/73/573296373.db2.gz PHQAJSJDSZPMGR-UHFFFAOYSA-N 2 2 177.251 0.224 10 0 ACAELP Cn1cc[nH+]c1C[C@H]([NH3+])c1ncc[nH]1 74272401 573296854 /nfs/dbraw/zinc/29/68/54/573296854.db2.gz FEBCXLVXJJMIJY-ZETCQYMHSA-N 2 2 191.238 0.386 10 0 ACAELP C[N@@H+]1CC[C@H]2CC[C@@H](CC[NH3+])[NH+]2CC1 238336247 573297260 /nfs/dbraw/zinc/29/72/60/573297260.db2.gz IUDZFJWUJRCPPS-WDEREUQCSA-N 3 2 197.326 0.504 10 0 ACAELP C[N@H+]1CC[C@H]2CC[C@@H](CC[NH3+])[NH+]2CC1 238336247 573297265 /nfs/dbraw/zinc/29/72/65/573297265.db2.gz IUDZFJWUJRCPPS-WDEREUQCSA-N 3 2 197.326 0.504 10 0 ACAELP C[NH+]1CC[C@H]2CC[C@@H](CC[NH3+])[N@@H+]2CC1 238336247 573297273 /nfs/dbraw/zinc/29/72/73/573297273.db2.gz IUDZFJWUJRCPPS-WDEREUQCSA-N 3 2 197.326 0.504 10 0 ACAELP CC[C@H]([NH3+])C(C)(C)[NH+]1CCOCC1 74279957 573301594 /nfs/dbraw/zinc/30/15/94/573301594.db2.gz STJCVWZTBAOCIP-VIFPVBQESA-N 2 2 186.299 0.835 10 0 ACAELP CC[C@H](C[NH3+])C[NH2+]C1CC[NH+](C)CC1 259073173 573299969 /nfs/dbraw/zinc/29/99/69/573299969.db2.gz UPLSDSCDPMYAAM-SNVBAGLBSA-N 3 2 199.342 0.655 10 0 ACAELP CC[C@@H]([NH3+])C(C)(C)[NH+]1CCOCC1 74279961 573300310 /nfs/dbraw/zinc/30/03/10/573300310.db2.gz STJCVWZTBAOCIP-SECBINFHSA-N 2 2 186.299 0.835 10 0 ACAELP C[NH+](C)CC[C@H]1[NH2+]CCCO1 258623132 573300426 /nfs/dbraw/zinc/30/04/26/573300426.db2.gz RHMPONQYRJKZNE-QMMMGPOBSA-N 2 2 158.245 0.274 10 0 ACAELP C[N@@H+]1CC[C@H]2C[C@@H](C[NH3+])CC[NH+]2CC1 238336652 573300681 /nfs/dbraw/zinc/30/06/81/573300681.db2.gz GWNLQHRHGRDSFP-QWRGUYRKSA-N 3 2 197.326 0.361 10 0 ACAELP C[N@H+]1CC[C@H]2C[C@@H](C[NH3+])CC[NH+]2CC1 238336652 573300686 /nfs/dbraw/zinc/30/06/86/573300686.db2.gz GWNLQHRHGRDSFP-QWRGUYRKSA-N 3 2 197.326 0.361 10 0 ACAELP C[NH+]1CC[C@H]2C[C@@H](C[NH3+])CC[N@@H+]2CC1 238336652 573300688 /nfs/dbraw/zinc/30/06/88/573300688.db2.gz GWNLQHRHGRDSFP-QWRGUYRKSA-N 3 2 197.326 0.361 10 0 ACAELP C[NH+]1CC[C@H]2C[C@@H](C[NH3+])CC[N@H+]2CC1 238336652 573300696 /nfs/dbraw/zinc/30/06/96/573300696.db2.gz GWNLQHRHGRDSFP-QWRGUYRKSA-N 3 2 197.326 0.361 10 0 ACAELP C[NH+](C)CC[C@@H]1[NH2+]CCCO1 258623125 573300843 /nfs/dbraw/zinc/30/08/43/573300843.db2.gz RHMPONQYRJKZNE-MRVPVSSYSA-N 2 2 158.245 0.274 10 0 ACAELP CC[C@@H](C[NH3+])C[NH2+]C1CC[NH+](C)CC1 259073170 573300918 /nfs/dbraw/zinc/30/09/18/573300918.db2.gz UPLSDSCDPMYAAM-JTQLQIEISA-N 3 2 199.342 0.655 10 0 ACAELP C[N@H+](Cc1ccc[nH]1)CC1([NH3+])CC1 259079672 573303886 /nfs/dbraw/zinc/30/38/86/573303886.db2.gz MOTZOZFLZABYCN-UHFFFAOYSA-N 2 2 179.267 0.938 10 0 ACAELP C[N@@H+](Cc1ccc[nH]1)CC1([NH3+])CC1 259079672 573303887 /nfs/dbraw/zinc/30/38/87/573303887.db2.gz MOTZOZFLZABYCN-UHFFFAOYSA-N 2 2 179.267 0.938 10 0 ACAELP CC[NH+](CC)CC1([NH3+])CC[NH2+]CC1 221357253 573305008 /nfs/dbraw/zinc/30/50/08/573305008.db2.gz GFOSVLCZWIDZHQ-UHFFFAOYSA-N 3 2 185.315 0.409 10 0 ACAELP CC[C@@H]([NH+]1CCOCC1)C1([NH3+])CC1 221346840 573305708 /nfs/dbraw/zinc/30/57/08/573305708.db2.gz MCQKTENJSBLSRA-SECBINFHSA-N 2 2 184.283 0.589 10 0 ACAELP C[C@H]([NH3+])C(=O)[C@@H]1CCCC[NH2+]1 259075953 573304507 /nfs/dbraw/zinc/30/45/07/573304507.db2.gz CIPJOOGEXQDEBM-BQBZGAKWSA-N 2 2 156.229 0.045 10 0 ACAELP C[NH2+]C[C@@H]([NH2+]C)c1ccc[nH]1 259409060 573304548 /nfs/dbraw/zinc/30/45/48/573304548.db2.gz MDGWTFDRZUPSPM-MRVPVSSYSA-N 2 2 153.229 0.495 10 0 ACAELP C[NH+](C)Cc1cc(C(=O)C[NH3+])c[nH]1 74301770 573304792 /nfs/dbraw/zinc/30/47/92/573304792.db2.gz JWXKGEWQMPFZMH-UHFFFAOYSA-N 2 2 181.239 0.218 10 0 ACAELP C[NH+](C)CCc1[nH]cc(CC[NH3+])[nH+]1 74300202 573304855 /nfs/dbraw/zinc/30/48/55/573304855.db2.gz MILLNLGEXUGFGM-UHFFFAOYSA-N 3 2 182.271 0.015 10 0 ACAELP C[NH2+]C[C@H]([NH2+]C)c1ccc[nH]1 259409063 573304983 /nfs/dbraw/zinc/30/49/83/573304983.db2.gz MDGWTFDRZUPSPM-QMMMGPOBSA-N 2 2 153.229 0.495 10 0 ACAELP C[NH2+]CC[C@@H]([NH3+])c1ccccn1 259411863 573307808 /nfs/dbraw/zinc/30/78/08/573307808.db2.gz OOFPTOKSWGSJHJ-MRVPVSSYSA-N 2 2 165.240 0.691 10 0 ACAELP C[C@@H]([NH3+])C(=O)[C@H]1CCCC[NH2+]1 259075956 573305449 /nfs/dbraw/zinc/30/54/49/573305449.db2.gz CIPJOOGEXQDEBM-RNFRBKRXSA-N 2 2 156.229 0.045 10 0 ACAELP C[C@H]([NH3+])C(=O)[C@H]1CCCC[NH2+]1 259075954 573305558 /nfs/dbraw/zinc/30/55/58/573305558.db2.gz CIPJOOGEXQDEBM-NKWVEPMBSA-N 2 2 156.229 0.045 10 0 ACAELP C[C@@H](CCO)[NH2+][C@H]1CCC[NH2+]C1 132428548 573306595 /nfs/dbraw/zinc/30/65/95/573306595.db2.gz DQKZVVGDLSRNSF-IUCAKERBSA-N 2 2 172.272 0.099 10 0 ACAELP C[NH+](C)Cc1c[nH+]ccc1N 258625429 573307026 /nfs/dbraw/zinc/30/70/26/573307026.db2.gz XAMRRCYHDXZHHY-UHFFFAOYSA-N 2 2 151.213 0.725 10 0 ACAELP C[C@H](C[NH3+])c1[nH]c2c([nH+]1)NCCC2 106491391 573307668 /nfs/dbraw/zinc/30/76/68/573307668.db2.gz AAKTVZTWJOXNJJ-ZCFIWIBFSA-N 2 2 180.255 0.830 10 0 ACAELP C[C@@H]([NH3+])C(=O)[C@@H]1CCCC[NH2+]1 259075957 573307727 /nfs/dbraw/zinc/30/77/27/573307727.db2.gz CIPJOOGEXQDEBM-RQJHMYQMSA-N 2 2 156.229 0.045 10 0 ACAELP C[NH+](C)CCC[NH2+]Cc1ccnnc1 132481772 573307943 /nfs/dbraw/zinc/30/79/43/573307943.db2.gz BVQOGKHRYHOFBH-UHFFFAOYSA-N 2 2 194.282 0.518 10 0 ACAELP CCCCC[N@H+](C)C[C@H](N)C[NH3+] 259080774 573308645 /nfs/dbraw/zinc/30/86/45/573308645.db2.gz REIAINWQTRGDSN-SECBINFHSA-N 2 2 173.304 0.394 10 0 ACAELP CCCCC[N@@H+](C)C[C@H](N)C[NH3+] 259080774 573308651 /nfs/dbraw/zinc/30/86/51/573308651.db2.gz REIAINWQTRGDSN-SECBINFHSA-N 2 2 173.304 0.394 10 0 ACAELP C[NH2+]CC[C@H]([NH3+])c1ccccn1 259411865 573309221 /nfs/dbraw/zinc/30/92/21/573309221.db2.gz OOFPTOKSWGSJHJ-QMMMGPOBSA-N 2 2 165.240 0.691 10 0 ACAELP C[C@H](CCO)[NH2+][C@H]1CCC[N@H+](C)C1 132509183 573310408 /nfs/dbraw/zinc/31/04/08/573310408.db2.gz FJFHNXLZBIFAJE-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP C[C@H](CCO)[NH2+][C@H]1CCC[N@@H+](C)C1 132509183 573310412 /nfs/dbraw/zinc/31/04/12/573310412.db2.gz FJFHNXLZBIFAJE-ZJUUUORDSA-N 2 2 186.299 0.441 10 0 ACAELP C[C@H]1C[N@H+](C[C@@H]2CCOC2)CCC[NH2+]1 82941380 573310511 /nfs/dbraw/zinc/31/05/11/573310511.db2.gz BRPWOJLOCQAFQT-QWRGUYRKSA-N 2 2 198.310 0.707 10 0 ACAELP C[C@H]1C[N@@H+](C[C@@H]2CCOC2)CCC[NH2+]1 82941380 573310514 /nfs/dbraw/zinc/31/05/14/573310514.db2.gz BRPWOJLOCQAFQT-QWRGUYRKSA-N 2 2 198.310 0.707 10 0 ACAELP C[C@H](CCO)[NH2+][C@@H]1C[NH+]2CCC1CC2 132468473 573310636 /nfs/dbraw/zinc/31/06/36/573310636.db2.gz AZADCICCOGSZPR-MWLCHTKSSA-N 2 2 198.310 0.441 10 0 ACAELP CCc1nnc(C)cc1C[NH2+]CC[NH3+] 132460794 573310666 /nfs/dbraw/zinc/31/06/66/573310666.db2.gz WMTKVVJNZMDAPU-UHFFFAOYSA-N 2 2 194.282 0.396 10 0 ACAELP Cc1cc(C[NH2+]CC[NH3+])c(C)nn1 132460572 573310714 /nfs/dbraw/zinc/31/07/14/573310714.db2.gz BFEHDCYZVHOVNB-UHFFFAOYSA-N 2 2 180.255 0.142 10 0 ACAELP C[C@]1(CC[NH+]2CCOCC2)CCC[NH2+]1 258253127 573310758 /nfs/dbraw/zinc/31/07/58/573310758.db2.gz QTOOSUULFCUNEZ-LLVKDONJSA-N 2 2 198.310 0.851 10 0 ACAELP C[C@H](CCO)[NH2+][C@@H]1CCC[N@H+](C)C1 132508812 573310986 /nfs/dbraw/zinc/31/09/86/573310986.db2.gz FJFHNXLZBIFAJE-NXEZZACHSA-N 2 2 186.299 0.441 10 0 ACAELP C[C@H](CCO)[NH2+][C@@H]1CCC[N@@H+](C)C1 132508812 573310992 /nfs/dbraw/zinc/31/09/92/573310992.db2.gz FJFHNXLZBIFAJE-NXEZZACHSA-N 2 2 186.299 0.441 10 0 ACAELP C[NH2+][C@H](C)c1nnc(C2([NH3+])CC2)o1 238345089 573311682 /nfs/dbraw/zinc/31/16/82/573311682.db2.gz YVRUJJNJFFHAPL-RXMQYKEDSA-N 2 2 182.227 0.298 10 0 ACAELP CN(C)c1cc(NCCC[NH3+])[nH+]cn1 259080687 573311471 /nfs/dbraw/zinc/31/14/71/573311471.db2.gz XYOGXQMRYVLMGD-UHFFFAOYSA-N 2 2 195.270 0.303 10 0 ACAELP CN(C)c1cc(NCCC[NH3+])nc[nH+]1 259080687 573311477 /nfs/dbraw/zinc/31/14/77/573311477.db2.gz XYOGXQMRYVLMGD-UHFFFAOYSA-N 2 2 195.270 0.303 10 0 ACAELP Cc1cc(C[NH2+][C@H](C)C[NH3+])c(C)nn1 132467519 573312549 /nfs/dbraw/zinc/31/25/49/573312549.db2.gz AREDCULTNDQTRU-MRVPVSSYSA-N 2 2 194.282 0.530 10 0 ACAELP Cc1c(CC[NH3+])[nH]c2nc[nH+]cc12 74307893 573315138 /nfs/dbraw/zinc/31/51/38/573315138.db2.gz GFYAZGHCEYDDCO-UHFFFAOYSA-N 2 2 176.223 0.768 10 0 ACAELP CN(C[C@H]([NH3+])C[NH3+])c1ccccc1F 259083707 573315779 /nfs/dbraw/zinc/31/57/79/573315779.db2.gz RGXQCRXGDNKHCU-MRVPVSSYSA-N 2 2 197.257 0.548 10 0 ACAELP Cc1cc(C[NH2+][C@@H](C)C[NH3+])c(C)nn1 132467291 573315873 /nfs/dbraw/zinc/31/58/73/573315873.db2.gz AREDCULTNDQTRU-QMMMGPOBSA-N 2 2 194.282 0.530 10 0 ACAELP C[C@@H](CCO)[NH2+][C@@H]1C[NH+]2CCC1CC2 132468256 573315984 /nfs/dbraw/zinc/31/59/84/573315984.db2.gz AZADCICCOGSZPR-GXSJLCMTSA-N 2 2 198.310 0.441 10 0 ACAELP [NH3+][C@@H]1[C@@H]2CCCO[C@H]2[C@H]1[NH+]1CC=CC1 116923651 573316722 /nfs/dbraw/zinc/31/67/22/573316722.db2.gz SDUURHUGWYUJNR-ZRUFSTJUSA-N 2 2 194.278 0.363 10 0 ACAELP C[NH2+]C/C=C/c1c[nH+]cn1C 86227684 573317074 /nfs/dbraw/zinc/31/70/74/573317074.db2.gz RWCSJCCBCAKXMD-ONEGZZNKSA-N 2 2 151.213 0.653 10 0 ACAELP CCC[C@@H]1CN2CC[N@H+](C)C[C@@H]2C[NH2+]1 258492154 573317212 /nfs/dbraw/zinc/31/72/12/573317212.db2.gz BGTZJJVRLWLOFW-MNOVXSKESA-N 2 2 197.326 0.374 10 0 ACAELP CCC[C@@H]1CN2CC[N@@H+](C)C[C@@H]2C[NH2+]1 258492154 573317217 /nfs/dbraw/zinc/31/72/17/573317217.db2.gz BGTZJJVRLWLOFW-MNOVXSKESA-N 2 2 197.326 0.374 10 0 ACAELP [NH3+][C@@H](CO)C[NH2+]Cc1cccs1 259083753 573317305 /nfs/dbraw/zinc/31/73/05/573317305.db2.gz RHNLZQSZBMTWNU-SSDOTTSWSA-N 2 2 186.280 0.157 10 0 ACAELP [NH3+]CCc1[nH]cc(C2CCOCC2)[nH+]1 106872278 573317371 /nfs/dbraw/zinc/31/73/71/573317371.db2.gz KALDLTBBQMAMBL-UHFFFAOYSA-N 2 2 195.266 0.805 10 0 ACAELP Cc1nc2[nH]cc(CC[NH3+])c2c[nH+]1 74307896 573317376 /nfs/dbraw/zinc/31/73/76/573317376.db2.gz XHFSJWIHUVSCBB-UHFFFAOYSA-N 2 2 176.223 0.768 10 0 ACAELP CNc1cc[nH+]c(NCC[NH+](C)C)n1 106872345 573317469 /nfs/dbraw/zinc/31/74/69/573317469.db2.gz CCYWSOOAWZRVDU-UHFFFAOYSA-N 2 2 195.270 0.492 10 0 ACAELP Cc1nc(-n2cc[nH+]c2)cc(N)[nH+]1 74308752 573317616 /nfs/dbraw/zinc/31/76/16/573317616.db2.gz RCGQOOZYYPJUFO-UHFFFAOYSA-N 2 2 175.195 0.553 10 0 ACAELP CCC(=O)[C@H](C)[N@@H+]1CCC[NH2+]CC1 82947543 573317771 /nfs/dbraw/zinc/31/77/71/573317771.db2.gz NYPRUBLHTUXFEA-VIFPVBQESA-N 2 2 184.283 0.649 10 0 ACAELP CCC(=O)[C@H](C)[N@H+]1CCC[NH2+]CC1 82947543 573317777 /nfs/dbraw/zinc/31/77/77/573317777.db2.gz NYPRUBLHTUXFEA-VIFPVBQESA-N 2 2 184.283 0.649 10 0 ACAELP [NH3+]CCc1ccn(-c2[nH]cc[nH+]2)n1 74307305 573317995 /nfs/dbraw/zinc/31/79/95/573317995.db2.gz JFFZBHSAVFPKDT-UHFFFAOYSA-N 2 2 177.211 0.097 10 0 ACAELP CCC[C@H]1CN2CC[N@H+](C)C[C@@H]2C[NH2+]1 258492156 573318100 /nfs/dbraw/zinc/31/81/00/573318100.db2.gz BGTZJJVRLWLOFW-QWRGUYRKSA-N 2 2 197.326 0.374 10 0 ACAELP CCC[C@H]1CN2CC[N@@H+](C)C[C@@H]2C[NH2+]1 258492156 573318104 /nfs/dbraw/zinc/31/81/04/573318104.db2.gz BGTZJJVRLWLOFW-QWRGUYRKSA-N 2 2 197.326 0.374 10 0 ACAELP CN(C[C@@H]([NH3+])C[NH3+])c1ccccc1F 259083711 573318172 /nfs/dbraw/zinc/31/81/72/573318172.db2.gz RGXQCRXGDNKHCU-QMMMGPOBSA-N 2 2 197.257 0.548 10 0 ACAELP CCC(=O)[C@@H](C)[N@@H+]1CCC[NH2+]CC1 82947541 573318177 /nfs/dbraw/zinc/31/81/77/573318177.db2.gz NYPRUBLHTUXFEA-SECBINFHSA-N 2 2 184.283 0.649 10 0 ACAELP CCC(=O)[C@@H](C)[N@H+]1CCC[NH2+]CC1 82947541 573318183 /nfs/dbraw/zinc/31/81/83/573318183.db2.gz NYPRUBLHTUXFEA-SECBINFHSA-N 2 2 184.283 0.649 10 0 ACAELP CCC[C@@H]1CN2CC[N@H+](C)C[C@H]2C[NH2+]1 258492151 573318186 /nfs/dbraw/zinc/31/81/86/573318186.db2.gz BGTZJJVRLWLOFW-GHMZBOCLSA-N 2 2 197.326 0.374 10 0 ACAELP CCC[C@@H]1CN2CC[N@@H+](C)C[C@H]2C[NH2+]1 258492151 573318191 /nfs/dbraw/zinc/31/81/91/573318191.db2.gz BGTZJJVRLWLOFW-GHMZBOCLSA-N 2 2 197.326 0.374 10 0 ACAELP CCC[C@H]1CN2CC[N@H+](C)C[C@H]2C[NH2+]1 258492159 573318265 /nfs/dbraw/zinc/31/82/65/573318265.db2.gz BGTZJJVRLWLOFW-WDEREUQCSA-N 2 2 197.326 0.374 10 0 ACAELP CCC[C@H]1CN2CC[N@@H+](C)C[C@H]2C[NH2+]1 258492159 573318270 /nfs/dbraw/zinc/31/82/70/573318270.db2.gz BGTZJJVRLWLOFW-WDEREUQCSA-N 2 2 197.326 0.374 10 0 ACAELP C[NH2+][C@@H]1CCC[C@H]1C[NH+]1CC(OC)C1 308551752 573318290 /nfs/dbraw/zinc/31/82/90/573318290.db2.gz SFHYHULSEAAHLP-GXSJLCMTSA-N 2 2 198.310 0.705 10 0 ACAELP CCC[C@@H](C[NH3+])[NH2+]CCc1ccn[nH]1 308551737 573318447 /nfs/dbraw/zinc/31/84/47/573318447.db2.gz SFCTZSNGMBJGTJ-JTQLQIEISA-N 2 2 196.298 0.669 10 0 ACAELP C[NH2+][C@H]1CCC[C@H]1C[NH+]1CC(OC)C1 308551763 573318634 /nfs/dbraw/zinc/31/86/34/573318634.db2.gz SFHYHULSEAAHLP-ONGXEEELSA-N 2 2 198.310 0.705 10 0 ACAELP [NH3+]CCc1cn(CCF)c[nH+]1 117121172 573318977 /nfs/dbraw/zinc/31/89/77/573318977.db2.gz AXUKRJKCUYVBID-UHFFFAOYSA-N 2 2 157.192 0.354 10 0 ACAELP Cc1ccc(N(C)C[C@@H]([NH3+])C[NH3+])o1 259083957 573319185 /nfs/dbraw/zinc/31/91/85/573319185.db2.gz RIICSYRYMNWQAD-QMMMGPOBSA-N 2 2 183.255 0.310 10 0 ACAELP C[NH2+][C@H]1CCC[C@@H]1C[NH+]1CC(OC)C1 308551756 573319222 /nfs/dbraw/zinc/31/92/22/573319222.db2.gz SFHYHULSEAAHLP-KOLCDFICSA-N 2 2 198.310 0.705 10 0 ACAELP CC[NH2+]C[C@H]([NH3+])c1ccncc1 259416374 573319256 /nfs/dbraw/zinc/31/92/56/573319256.db2.gz OTRXOAPDYGPFOI-VIFPVBQESA-N 2 2 165.240 0.691 10 0 ACAELP [NH3+][C@H](CO)C[NH2+]Cc1cccs1 259083757 573319378 /nfs/dbraw/zinc/31/93/78/573319378.db2.gz RHNLZQSZBMTWNU-ZETCQYMHSA-N 2 2 186.280 0.157 10 0 ACAELP CCC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 82947591 573319601 /nfs/dbraw/zinc/31/96/01/573319601.db2.gz ZXBFVWPTGQIPNP-QMMMGPOBSA-N 2 2 184.283 0.777 10 0 ACAELP C[C@H]1CC[C@H]([N@H+](C)CC[NH3+])CO1 401862351 573319612 /nfs/dbraw/zinc/31/96/12/573319612.db2.gz IQILTFNOYILACF-IUCAKERBSA-N 2 2 172.272 0.444 10 0 ACAELP C[C@H]1CC[C@H]([N@@H+](C)CC[NH3+])CO1 401862351 573319618 /nfs/dbraw/zinc/31/96/18/573319618.db2.gz IQILTFNOYILACF-IUCAKERBSA-N 2 2 172.272 0.444 10 0 ACAELP C/C(=C\c1c[nH+]cn1C)C[NH3+] 86214068 573319683 /nfs/dbraw/zinc/31/96/83/573319683.db2.gz RZJQMKSMVPREPZ-XVNBXDOJSA-N 2 2 151.213 0.782 10 0 ACAELP Cc1ccc(N(C)C[C@H]([NH3+])C[NH3+])o1 259083954 573319710 /nfs/dbraw/zinc/31/97/10/573319710.db2.gz RIICSYRYMNWQAD-MRVPVSSYSA-N 2 2 183.255 0.310 10 0 ACAELP C[NH2+][C@@H]1[C@H](C)O[C@@H]2CC[N@H+](C)[C@H]12 238351774 573319729 /nfs/dbraw/zinc/31/97/29/573319729.db2.gz UTKRUXRVVNJQMK-KDXUFGMBSA-N 2 2 170.256 0.066 10 0 ACAELP C[NH2+][C@@H]1[C@H](C)O[C@@H]2CC[N@@H+](C)[C@H]12 238351774 573319734 /nfs/dbraw/zinc/31/97/34/573319734.db2.gz UTKRUXRVVNJQMK-KDXUFGMBSA-N 2 2 170.256 0.066 10 0 ACAELP C[NH2+]CC[N@H+](C)[C@@H](C)[C@H](C)OC 252934438 573319981 /nfs/dbraw/zinc/31/99/81/573319981.db2.gz DQPKIOLXTWTVRH-IUCAKERBSA-N 2 2 174.288 0.561 10 0 ACAELP C[NH2+]CC[N@@H+](C)[C@@H](C)[C@H](C)OC 252934438 573319986 /nfs/dbraw/zinc/31/99/86/573319986.db2.gz DQPKIOLXTWTVRH-IUCAKERBSA-N 2 2 174.288 0.561 10 0 ACAELP C[C@@H]1CC[C@H]([N@H+](C)CC[NH3+])CO1 401862348 573320037 /nfs/dbraw/zinc/32/00/37/573320037.db2.gz IQILTFNOYILACF-BDAKNGLRSA-N 2 2 172.272 0.444 10 0 ACAELP C[C@@H]1CC[C@H]([N@@H+](C)CC[NH3+])CO1 401862348 573320041 /nfs/dbraw/zinc/32/00/41/573320041.db2.gz IQILTFNOYILACF-BDAKNGLRSA-N 2 2 172.272 0.444 10 0 ACAELP C[NH2+]CC[N@H+](C)[C@H](C)[C@H](C)OC 252934437 573320108 /nfs/dbraw/zinc/32/01/08/573320108.db2.gz DQPKIOLXTWTVRH-BDAKNGLRSA-N 2 2 174.288 0.561 10 0 ACAELP C[NH2+]CC[N@@H+](C)[C@H](C)[C@H](C)OC 252934437 573320112 /nfs/dbraw/zinc/32/01/12/573320112.db2.gz DQPKIOLXTWTVRH-BDAKNGLRSA-N 2 2 174.288 0.561 10 0 ACAELP C[N@H+]1C[C@H](CC(C)(F)F)[C@@H]([NH3+])C1 259606725 573322370 /nfs/dbraw/zinc/32/23/70/573322370.db2.gz DJQADBSPAWEGDB-BQBZGAKWSA-N 2 2 178.226 0.921 10 0 ACAELP C[N@@H+]1C[C@H]2CC[NH2+]C[C@@]2(F)C1 238353053 573320223 /nfs/dbraw/zinc/32/02/23/573320223.db2.gz QOAHRYPIAIVGAA-HTQZYQBOSA-N 2 2 158.220 0.250 10 0 ACAELP C[N@H+]1C[C@H]2CC[NH2+]C[C@@]2(F)C1 238353053 573320233 /nfs/dbraw/zinc/32/02/33/573320233.db2.gz QOAHRYPIAIVGAA-HTQZYQBOSA-N 2 2 158.220 0.250 10 0 ACAELP C[N@@H+]1C[C@H](CC(C)(F)F)[C@@H]([NH3+])C1 259606725 573322374 /nfs/dbraw/zinc/32/23/74/573322374.db2.gz DJQADBSPAWEGDB-BQBZGAKWSA-N 2 2 178.226 0.921 10 0 ACAELP CCC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 82947590 573320438 /nfs/dbraw/zinc/32/04/38/573320438.db2.gz ZXBFVWPTGQIPNP-MRVPVSSYSA-N 2 2 184.283 0.777 10 0 ACAELP c1[nH]c2c([nH+]1)C[C@H](C[NH2+]C1CC1)NC2 86233569 573320599 /nfs/dbraw/zinc/32/05/99/573320599.db2.gz NZGWBOPQXWVWLR-MRVPVSSYSA-N 2 2 192.266 0.176 10 0 ACAELP C[N@@H+]1C[C@@H]([NH3+])[C@@H](CC(C)(F)F)C1 259606730 573320979 /nfs/dbraw/zinc/32/09/79/573320979.db2.gz DJQADBSPAWEGDB-NKWVEPMBSA-N 2 2 178.226 0.921 10 0 ACAELP C[N@H+]1C[C@@H]([NH3+])[C@@H](CC(C)(F)F)C1 259606730 573320983 /nfs/dbraw/zinc/32/09/83/573320983.db2.gz DJQADBSPAWEGDB-NKWVEPMBSA-N 2 2 178.226 0.921 10 0 ACAELP CC(C)[NH2+]C[C@H]1Cc2[nH+]c[nH]c2CN1 86233560 573321173 /nfs/dbraw/zinc/32/11/73/573321173.db2.gz UCQKBXNMZURXEW-MRVPVSSYSA-N 2 2 194.282 0.422 10 0 ACAELP CC[NH2+]C[C@@H]([NH3+])c1ccncc1 259416372 573321413 /nfs/dbraw/zinc/32/14/13/573321413.db2.gz OTRXOAPDYGPFOI-SECBINFHSA-N 2 2 165.240 0.691 10 0 ACAELP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2COC2)C1 306243797 573321486 /nfs/dbraw/zinc/32/14/86/573321486.db2.gz AKXBICKQOMRXMK-KOLCDFICSA-N 2 2 198.310 0.848 10 0 ACAELP CC(C)(O)CC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 86237506 573321777 /nfs/dbraw/zinc/32/17/77/573321777.db2.gz OPZWBTSGGXORFA-VHSXEESVSA-N 2 2 198.310 0.441 10 0 ACAELP CC(C)(O)CC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 86237506 573321780 /nfs/dbraw/zinc/32/17/80/573321780.db2.gz OPZWBTSGGXORFA-VHSXEESVSA-N 2 2 198.310 0.441 10 0 ACAELP c1[nH]c2c([nH+]1)C[C@@H](C[NH2+]C1CC1)NC2 86233571 573321915 /nfs/dbraw/zinc/32/19/15/573321915.db2.gz NZGWBOPQXWVWLR-QMMMGPOBSA-N 2 2 192.266 0.176 10 0 ACAELP C[C@H]1CC[C@@H]([N@H+](C)CC[NH3+])CO1 401862350 573321921 /nfs/dbraw/zinc/32/19/21/573321921.db2.gz IQILTFNOYILACF-DTWKUNHWSA-N 2 2 172.272 0.444 10 0 ACAELP C[C@H]1CC[C@@H]([N@@H+](C)CC[NH3+])CO1 401862350 573321926 /nfs/dbraw/zinc/32/19/26/573321926.db2.gz IQILTFNOYILACF-DTWKUNHWSA-N 2 2 172.272 0.444 10 0 ACAELP COC1C[NH+](Cc2ccoc2C[NH3+])C1 308553492 573322030 /nfs/dbraw/zinc/32/20/30/573322030.db2.gz TUMJQNUKQWDUSN-UHFFFAOYSA-N 2 2 196.250 0.569 10 0 ACAELP [NH3+][C@H](c1ccccn1)[C@@H]1CC[NH2+]C1 259085154 573327668 /nfs/dbraw/zinc/32/76/68/573327668.db2.gz AECUMDAVDQDBQK-SCZZXKLOSA-N 2 2 177.251 0.691 10 0 ACAELP C[NH2+]C(C)(C)[C@@H]([NH3+])[C@@H]1CC[N@H+](C)C1 259082786 573330365 /nfs/dbraw/zinc/33/03/65/573330365.db2.gz ABPKTRRRYVLWTM-BDAKNGLRSA-N 3 2 185.315 0.263 10 0 ACAELP C[NH2+]C(C)(C)[C@@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 259082786 573330371 /nfs/dbraw/zinc/33/03/71/573330371.db2.gz ABPKTRRRYVLWTM-BDAKNGLRSA-N 3 2 185.315 0.263 10 0 ACAELP C[NH2+]C(C)(C)[C@H]([NH3+])[C@H]1CC[N@H+](C)C1 259082789 573330529 /nfs/dbraw/zinc/33/05/29/573330529.db2.gz ABPKTRRRYVLWTM-DTWKUNHWSA-N 3 2 185.315 0.263 10 0 ACAELP C[NH2+]C(C)(C)[C@H]([NH3+])[C@H]1CC[N@@H+](C)C1 259082789 573330535 /nfs/dbraw/zinc/33/05/35/573330535.db2.gz ABPKTRRRYVLWTM-DTWKUNHWSA-N 3 2 185.315 0.263 10 0 ACAELP CCC[C@@H](C[NH3+])[NH2+]Cc1ccnn1C 308549747 573330575 /nfs/dbraw/zinc/33/05/75/573330575.db2.gz RGZSFVWSCCWZNY-VIFPVBQESA-N 2 2 196.298 0.637 10 0 ACAELP C[NH2+]C(C)(C)[C@H]([NH3+])[C@@H]1CC[N@H+](C)C1 259082795 573330706 /nfs/dbraw/zinc/33/07/06/573330706.db2.gz ABPKTRRRYVLWTM-RKDXNWHRSA-N 3 2 185.315 0.263 10 0 ACAELP C[NH2+]C(C)(C)[C@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 259082795 573330710 /nfs/dbraw/zinc/33/07/10/573330710.db2.gz ABPKTRRRYVLWTM-RKDXNWHRSA-N 3 2 185.315 0.263 10 0 ACAELP CC[C@]1(C[NH+]2CC(OC)C2)CC[NH2+]C1 308550151 573330774 /nfs/dbraw/zinc/33/07/74/573330774.db2.gz RJZUMQLSMPOJBL-NSHDSACASA-N 2 2 198.310 0.707 10 0 ACAELP Cn1c[nH+]cc1[C@@H]1OCC[C@@H]1C[NH3+] 86245547 573332069 /nfs/dbraw/zinc/33/20/69/573332069.db2.gz BOBJPQGGKLDVSL-VXNVDRBHSA-N 2 2 181.239 0.456 10 0 ACAELP C[NH2+]C[C@H]1CCO[C@H]1c1c[nH+]cn1C 86246019 573332308 /nfs/dbraw/zinc/33/23/08/573332308.db2.gz GTONJIMWIGPZIM-PSASIEDQSA-N 2 2 195.266 0.717 10 0 ACAELP CCn1c[nH+]cc1[C@H]1OCC[C@@H]1C[NH3+] 86245650 573332434 /nfs/dbraw/zinc/33/24/34/573332434.db2.gz FUGUAQNHUDYJOV-SCZZXKLOSA-N 2 2 195.266 0.939 10 0 ACAELP C[N@@H+]1CCC[C@H]([C@H]([NH3+])[C@H]2CCC[NH2+]2)C1 259420596 573332815 /nfs/dbraw/zinc/33/28/15/573332815.db2.gz OZAZDSGCVVFNQH-AXFHLTTASA-N 3 2 197.326 0.408 10 0 ACAELP C[N@H+]1CCC[C@H]([C@H]([NH3+])[C@H]2CCC[NH2+]2)C1 259420596 573332821 /nfs/dbraw/zinc/33/28/21/573332821.db2.gz OZAZDSGCVVFNQH-AXFHLTTASA-N 3 2 197.326 0.408 10 0 ACAELP Cn1c[nH+]cc1[C@H]1OCCC[C@H]1C[NH3+] 86245692 573332903 /nfs/dbraw/zinc/33/29/03/573332903.db2.gz BKIZIMLIXGXPPN-WPRPVWTQSA-N 2 2 195.266 0.847 10 0 ACAELP C[NH2+][C@H](c1ccccc1C)[C@@H]([NH3+])CO 259419808 573333329 /nfs/dbraw/zinc/33/33/29/573333329.db2.gz NKPPHCNILMACDO-WDEREUQCSA-N 2 2 194.278 0.575 10 0 ACAELP C[N@@H+]1CCC[C@H]([C@@H]([NH3+])[C@@H]2CCC[NH2+]2)C1 259420601 573333049 /nfs/dbraw/zinc/33/30/49/573333049.db2.gz OZAZDSGCVVFNQH-GARJFASQSA-N 3 2 197.326 0.408 10 0 ACAELP C[N@H+]1CCC[C@H]([C@@H]([NH3+])[C@@H]2CCC[NH2+]2)C1 259420601 573333058 /nfs/dbraw/zinc/33/30/58/573333058.db2.gz OZAZDSGCVVFNQH-GARJFASQSA-N 3 2 197.326 0.408 10 0 ACAELP C[NH2+]C[C@@H]1CCO[C@H]1c1c[nH+]cn1C 86246018 573333229 /nfs/dbraw/zinc/33/32/29/573333229.db2.gz GTONJIMWIGPZIM-WCBMZHEXSA-N 2 2 195.266 0.717 10 0 ACAELP [NH3+]C1CC([NH2+]Cc2ccncn2)C1 236168028 573333257 /nfs/dbraw/zinc/33/32/57/573333257.db2.gz RBVHEHMKNCUNOT-UHFFFAOYSA-N 2 2 178.239 0.056 10 0 ACAELP C[NH2+][C@@H](c1ccccc1C)[C@@H]([NH3+])CO 259419805 573333274 /nfs/dbraw/zinc/33/32/74/573333274.db2.gz NKPPHCNILMACDO-QWRGUYRKSA-N 2 2 194.278 0.575 10 0 ACAELP Cc1[nH]c2cc([C@H](O)C[NH3+])ccc2[nH+]1 74366347 573335444 /nfs/dbraw/zinc/33/54/44/573335444.db2.gz VGCFLIWKFPTDSU-SNVBAGLBSA-N 2 2 191.234 0.863 10 0 ACAELP CCn1c[nH+]cc1[C@@H]1OCC[C@@H]1[NH3+] 86249613 573335293 /nfs/dbraw/zinc/33/52/93/573335293.db2.gz QPHIQAIQPFVBAK-IONNQARKSA-N 2 2 181.239 0.692 10 0 ACAELP CCC[C@@H]([C@@H]1C[N@H+](C)CCN1)[NH+](C)C 259421408 573335359 /nfs/dbraw/zinc/33/53/59/573335359.db2.gz IBLLVTZIZMUMGF-QWRGUYRKSA-N 2 2 199.342 0.620 10 0 ACAELP CCC[C@@H]([C@@H]1C[N@@H+](C)CCN1)[NH+](C)C 259421408 573335364 /nfs/dbraw/zinc/33/53/64/573335364.db2.gz IBLLVTZIZMUMGF-QWRGUYRKSA-N 2 2 199.342 0.620 10 0 ACAELP Cc1[nH]c2ccc([C@H](O)C[NH3+])cc2[nH+]1 74366347 573335439 /nfs/dbraw/zinc/33/54/39/573335439.db2.gz VGCFLIWKFPTDSU-SNVBAGLBSA-N 2 2 191.234 0.863 10 0 ACAELP Cn1c[nH+]cc1[C@H]1OCCC[C@@H]1[NH3+] 86250304 573335510 /nfs/dbraw/zinc/33/55/10/573335510.db2.gz JGFZKKZZMAAZFT-CBAPKCEASA-N 2 2 181.239 0.599 10 0 ACAELP Cc1[nH]c2ccc([C@@H](O)C[NH3+])cc2[nH+]1 74366350 573335602 /nfs/dbraw/zinc/33/56/02/573335602.db2.gz VGCFLIWKFPTDSU-JTQLQIEISA-N 2 2 191.234 0.863 10 0 ACAELP Cc1[nH]c2cc([C@@H](O)C[NH3+])ccc2[nH+]1 74366350 573335608 /nfs/dbraw/zinc/33/56/08/573335608.db2.gz VGCFLIWKFPTDSU-JTQLQIEISA-N 2 2 191.234 0.863 10 0 ACAELP 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573339503 /nfs/dbraw/zinc/33/95/03/573339503.db2.gz YTCOTLDAIHUCNZ-BDAKNGLRSA-N 2 2 199.298 0.812 10 0 ACAELP CCC[N@H+]([C@@H](C)C(N)=[NH2+])[C@@H]1CCOC1 308554019 573339259 /nfs/dbraw/zinc/33/92/59/573339259.db2.gz YTCOTLDAIHUCNZ-DTWKUNHWSA-N 2 2 199.298 0.812 10 0 ACAELP CCC[N@@H+]([C@@H](C)C(N)=[NH2+])[C@@H]1CCOC1 308554019 573339265 /nfs/dbraw/zinc/33/92/65/573339265.db2.gz YTCOTLDAIHUCNZ-DTWKUNHWSA-N 2 2 199.298 0.812 10 0 ACAELP Cc1oc(C[NH3+])c2c1C[N@@H+](C)C2 238355681 573339316 /nfs/dbraw/zinc/33/93/16/573339316.db2.gz HESJFCXGCYSMKE-UHFFFAOYSA-N 2 2 166.224 0.992 10 0 ACAELP Cc1oc(C[NH3+])c2c1C[N@H+](C)C2 238355681 573339319 /nfs/dbraw/zinc/33/93/19/573339319.db2.gz HESJFCXGCYSMKE-UHFFFAOYSA-N 2 2 166.224 0.992 10 0 ACAELP C[NH+](C)CC[NH2+]C[C@@H]1CCC=CO1 50267078 573339356 /nfs/dbraw/zinc/33/93/56/573339356.db2.gz TZEACWQZMLVJSE-JTQLQIEISA-N 2 2 184.283 0.830 10 0 ACAELP C[NH2+][C@@]1(CCO)CCCC[N@H+](C)C1 215167204 573339417 /nfs/dbraw/zinc/33/94/17/573339417.db2.gz IAJQAZUOHICBPA-SNVBAGLBSA-N 2 2 186.299 0.443 10 0 ACAELP C[NH2+][C@@]1(CCO)CCCC[N@@H+](C)C1 215167204 573339423 /nfs/dbraw/zinc/33/94/23/573339423.db2.gz IAJQAZUOHICBPA-SNVBAGLBSA-N 2 2 186.299 0.443 10 0 ACAELP CC[NH2+]C[C@@H](O)CCCn1cc[nH+]c1 308555376 573339644 /nfs/dbraw/zinc/33/96/44/573339644.db2.gz ZLCWQONAZCEHOH-JTQLQIEISA-N 2 2 197.282 0.634 10 0 ACAELP C[C@@]1(C[NH2+]CC(F)F)COC[C@H]1[NH3+] 147848035 573339757 /nfs/dbraw/zinc/33/97/57/573339757.db2.gz VNWGMVFSMJECEU-HTRCEHHLSA-N 2 2 194.225 0.205 10 0 ACAELP C[NH2+]C1(C[N@@H+](C)[C@@H]2CCOC2)CCC1 308554988 573341146 /nfs/dbraw/zinc/34/11/46/573341146.db2.gz ZHDZSCPLVLRZTK-SNVBAGLBSA-N 2 2 198.310 0.849 10 0 ACAELP C[C@@H]([NH3+])c1noc(C[NH2+]C2CC2)n1 393662482 573339892 /nfs/dbraw/zinc/33/98/92/573339892.db2.gz YKVAMGRHILRSSX-RXMQYKEDSA-N 2 2 182.227 0.341 10 0 ACAELP COCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C1 129537635 573339922 /nfs/dbraw/zinc/33/99/22/573339922.db2.gz PLKFFKMBTWLHCR-VHSXEESVSA-N 2 2 186.299 0.705 10 0 ACAELP 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308555378 573340777 /nfs/dbraw/zinc/34/07/77/573340777.db2.gz ZLCWQONAZCEHOH-SNVBAGLBSA-N 2 2 197.282 0.634 10 0 ACAELP CCN(Cc1cn(CC[NH3+])c[nH+]1)OC 308555826 573340794 /nfs/dbraw/zinc/34/07/94/573340794.db2.gz SESOFVMWZNEELR-UHFFFAOYSA-N 2 2 198.270 0.225 10 0 ACAELP C[NH2+]Cc1noc([C@@H]2CCC[NH2+]C2)n1 258005015 573340807 /nfs/dbraw/zinc/34/08/07/573340807.db2.gz MIKUCXOVKPZTFG-SSDOTTSWSA-N 2 2 196.254 0.256 10 0 ACAELP Cc1c[nH]c(C[C@@H]2C[NH2+]CCN2C)[nH+]1 259089542 573340954 /nfs/dbraw/zinc/34/09/54/573340954.db2.gz MPZFXJDDTBGYCL-SECBINFHSA-N 2 2 194.282 0.164 10 0 ACAELP Cc1c[nH]c(C[C@H]2C[NH2+]CCN2C)[nH+]1 259089548 573340997 /nfs/dbraw/zinc/34/09/97/573340997.db2.gz MPZFXJDDTBGYCL-VIFPVBQESA-N 2 2 194.282 0.164 10 0 ACAELP C[NH2+]C1(C[N@H+](C)[C@@H]2CCOC2)CCC1 308554988 573341140 /nfs/dbraw/zinc/34/11/40/573341140.db2.gz ZHDZSCPLVLRZTK-SNVBAGLBSA-N 2 2 198.310 0.849 10 0 ACAELP CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C1 129545561 573341246 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XJTCRLWAESMOLW-GHMZBOCLSA-N 2 2 194.278 0.623 10 0 ACAELP COCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C1 129536971 573344406 /nfs/dbraw/zinc/34/44/06/573344406.db2.gz PLKFFKMBTWLHCR-ZJUUUORDSA-N 2 2 186.299 0.705 10 0 ACAELP COCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C1 129536971 573344409 /nfs/dbraw/zinc/34/44/09/573344409.db2.gz PLKFFKMBTWLHCR-ZJUUUORDSA-N 2 2 186.299 0.705 10 0 ACAELP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCC[N@H+](C)C1 308558052 573344452 /nfs/dbraw/zinc/34/44/52/573344452.db2.gz VKRLIABFZDVXDH-QWRGUYRKSA-N 3 2 199.342 0.798 10 0 ACAELP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCC[N@@H+](C)C1 308558052 573344459 /nfs/dbraw/zinc/34/44/59/573344459.db2.gz VKRLIABFZDVXDH-QWRGUYRKSA-N 3 2 199.342 0.798 10 0 ACAELP CC[NH2+][C@@H](C[NH3+])c1cccnc1 50270220 573344470 /nfs/dbraw/zinc/34/44/70/573344470.db2.gz UZPJPUGKPJJQKH-VIFPVBQESA-N 2 2 165.240 0.691 10 0 ACAELP CC[NH2+][C@@H](C[NH3+])c1cnn(C)c1 50270272 573345061 /nfs/dbraw/zinc/34/50/61/573345061.db2.gz STMCDIJIKABNLS-QMMMGPOBSA-N 2 2 168.244 0.029 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YVCAEKDGVSJJHH-RNFRBKRXSA-N 2 2 146.209 0.377 10 0 ACAELP F[C@@H]1CC[NH2+][C@]12CC[NH2+]C2 259100141 573377158 /nfs/dbraw/zinc/37/71/58/573377158.db2.gz DPIIAQUPELQEAR-RQJHMYQMSA-N 2 2 144.193 0.050 10 0 ACAELP C[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)[C@@H](C)[NH3+] 308565356 573377192 /nfs/dbraw/zinc/37/71/92/573377192.db2.gz ZZMBESNOPXFZID-BBBLOLIVSA-N 3 2 196.298 0.597 10 0 ACAELP C[C@@H]1CO[C@@](C)([C@@H]2CCCC[NH2+]2)[NH2+]1 258332179 573377477 /nfs/dbraw/zinc/37/74/77/573377477.db2.gz DSWJBJWVNWGHLE-UTLUCORTSA-N 2 2 184.283 0.853 10 0 ACAELP [NH3+][C@H]1CCCn2c[nH+]cc21 107156238 573377988 /nfs/dbraw/zinc/37/79/88/573377988.db2.gz AONXNHOJEZKUFP-LURJTMIESA-N 2 2 137.186 0.677 10 0 ACAELP C[C@@H]1CO[C@](C)([C@H]2CCCC[NH2+]2)[NH2+]1 258332170 573377613 /nfs/dbraw/zinc/37/76/13/573377613.db2.gz DSWJBJWVNWGHLE-OPRDCNLKSA-N 2 2 184.283 0.853 10 0 ACAELP [NH3+]C[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 258017293 573377621 /nfs/dbraw/zinc/37/76/21/573377621.db2.gz HSJDUJHFLPJNBR-JTQLQIEISA-N 3 2 197.326 0.409 10 0 ACAELP [NH3+]C[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 258017293 573377628 /nfs/dbraw/zinc/37/76/28/573377628.db2.gz HSJDUJHFLPJNBR-JTQLQIEISA-N 3 2 197.326 0.409 10 0 ACAELP OC[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]1 107141702 573377689 /nfs/dbraw/zinc/37/76/89/573377689.db2.gz OSNLHTDDALFFNW-WDEREUQCSA-N 2 2 198.310 0.585 10 0 ACAELP OC[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]1 107141702 573377695 /nfs/dbraw/zinc/37/76/95/573377695.db2.gz OSNLHTDDALFFNW-WDEREUQCSA-N 2 2 198.310 0.585 10 0 ACAELP C[N@@H+]1CC[C@](C)(F)[C@@H]([NH3+])C1 258641336 573378039 /nfs/dbraw/zinc/37/80/39/573378039.db2.gz YVCAEKDGVSJJHH-BQBZGAKWSA-N 2 2 146.209 0.377 10 0 ACAELP C[N@H+]1CC[C@](C)(F)[C@@H]([NH3+])C1 258641336 573378046 /nfs/dbraw/zinc/37/80/46/573378046.db2.gz YVCAEKDGVSJJHH-BQBZGAKWSA-N 2 2 146.209 0.377 10 0 ACAELP C[C@@H]1CO[C@](C)([C@@H]2CCCC[NH2+]2)[NH2+]1 258332163 573378469 /nfs/dbraw/zinc/37/84/69/573378469.db2.gz DSWJBJWVNWGHLE-KXUCPTDWSA-N 2 2 184.283 0.853 10 0 ACAELP C[N@H+]1CC[C@](C)(F)[C@H]([NH3+])C1 258641347 573380491 /nfs/dbraw/zinc/38/04/91/573380491.db2.gz YVCAEKDGVSJJHH-RQJHMYQMSA-N 2 2 146.209 0.377 10 0 ACAELP OC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]1 107141699 573380372 /nfs/dbraw/zinc/38/03/72/573380372.db2.gz OSNLHTDDALFFNW-QWRGUYRKSA-N 2 2 198.310 0.585 10 0 ACAELP OC[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]1 107141699 573380377 /nfs/dbraw/zinc/38/03/77/573380377.db2.gz OSNLHTDDALFFNW-QWRGUYRKSA-N 2 2 198.310 0.585 10 0 ACAELP C[N@@H+]1CC[C@](C)(F)[C@H]([NH3+])C1 258641347 573380483 /nfs/dbraw/zinc/38/04/83/573380483.db2.gz YVCAEKDGVSJJHH-RQJHMYQMSA-N 2 2 146.209 0.377 10 0 ACAELP C[C@@H]1C[NH2+][C@@](C)([C@H]2CCC[NH2+]2)OC1 258642030 573381583 /nfs/dbraw/zinc/38/15/83/573381583.db2.gz RZEYKYYALKCUEO-OPRDCNLKSA-N 2 2 184.283 0.711 10 0 ACAELP CC[N@@H+]1CCCC[C@@H]1[NH3+] 118079362 573382817 /nfs/dbraw/zinc/38/28/17/573382817.db2.gz KVPDWHPIRGLHFE-SSDOTTSWSA-N 2 2 128.219 0.777 10 0 ACAELP CC[N@H+]1CCCC[C@@H]1[NH3+] 118079362 573382821 /nfs/dbraw/zinc/38/28/21/573382821.db2.gz KVPDWHPIRGLHFE-SSDOTTSWSA-N 2 2 128.219 0.777 10 0 ACAELP CCCn1c[nH+]cc1[C@H](O)C1C[NH2+]C1 308566747 573384652 /nfs/dbraw/zinc/38/46/52/573384652.db2.gz YTEMHEAHDPRYJE-SNVBAGLBSA-N 2 2 195.266 0.546 10 0 ACAELP COc1cc(C)cc([C@@H]([NH3+])C[NH3+])c1 238376023 573384706 /nfs/dbraw/zinc/38/47/06/573384706.db2.gz AQJKCUNTPYIALY-JTQLQIEISA-N 2 2 180.251 0.962 10 0 ACAELP Cc1[nH+]cc2n1CCC[C@H]2[NH3+] 107157549 573385002 /nfs/dbraw/zinc/38/50/02/573385002.db2.gz FUFDPAAJCXTRCA-SSDOTTSWSA-N 2 2 151.213 0.985 10 0 ACAELP C[C@@H]1C[NH2+][C@@](C)([C@@H]2CCC[NH2+]2)OC1 258642020 573386561 /nfs/dbraw/zinc/38/65/61/573386561.db2.gz RZEYKYYALKCUEO-KXUCPTDWSA-N 2 2 184.283 0.711 10 0 ACAELP C[C@@H]1C[NH2+][C@@](C)([C@H]2CCCC[NH2+]2)O1 258642221 573386664 /nfs/dbraw/zinc/38/66/64/573386664.db2.gz SABWYAAEHSSGRX-OPRDCNLKSA-N 2 2 184.283 0.853 10 0 ACAELP COc1cc[nH+]cc1[C@H](O)[C@H](C)C[NH3+] 308568278 573386944 /nfs/dbraw/zinc/38/69/44/573386944.db2.gz IXWLUTFQLFHPNK-GMSGAONNSA-N 2 2 196.250 0.718 10 0 ACAELP CC[NH2+]Cc1cn(CC)c(N)[nH+]1 258013265 573387210 /nfs/dbraw/zinc/38/72/10/573387210.db2.gz CSDYGTAOIFWOSA-UHFFFAOYSA-N 2 2 168.244 0.595 10 0 ACAELP COc1cc[nH+]cc1[C@@H](O)[C@H](C)C[NH3+] 308568282 573387400 /nfs/dbraw/zinc/38/74/00/573387400.db2.gz IXWLUTFQLFHPNK-XCBNKYQSSA-N 2 2 196.250 0.718 10 0 ACAELP COCCC[NH2+][C@@H](C)C[NH+](C)C 118199818 573387499 /nfs/dbraw/zinc/38/74/99/573387499.db2.gz XDLICHZAFKDAJT-VIFPVBQESA-N 2 2 174.288 0.563 10 0 ACAELP [NH3+][C@H]1CCC[N@H+](CCCOC2CC2)C1 717389144 573388093 /nfs/dbraw/zinc/38/80/93/573388093.db2.gz SAZKSHWTDRZBRY-JTQLQIEISA-N 2 2 198.310 0.979 10 0 ACAELP COc1cc(C)cc([C@H]([NH3+])C[NH3+])c1 238376348 573387748 /nfs/dbraw/zinc/38/77/48/573387748.db2.gz AQJKCUNTPYIALY-SNVBAGLBSA-N 2 2 180.251 0.962 10 0 ACAELP [NH3+][C@H]1CCC[N@@H+](CCCOC2CC2)C1 717389144 573388102 /nfs/dbraw/zinc/38/81/02/573388102.db2.gz SAZKSHWTDRZBRY-JTQLQIEISA-N 2 2 198.310 0.979 10 0 ACAELP C[NH2+]CC[N@H+](C)[C@@H]1CCO[C@@H]1C 133274176 573387993 /nfs/dbraw/zinc/38/79/93/573387993.db2.gz CQRCEOPIMGRJKU-RKDXNWHRSA-N 2 2 172.272 0.315 10 0 ACAELP C[NH2+]CC[N@@H+](C)[C@@H]1CCO[C@@H]1C 133274176 573388003 /nfs/dbraw/zinc/38/80/03/573388003.db2.gz CQRCEOPIMGRJKU-RKDXNWHRSA-N 2 2 172.272 0.315 10 0 ACAELP CC[C@]1([NH2+]CC[NH2+]C2CC2)CCOC1 393517211 573388293 /nfs/dbraw/zinc/38/82/93/573388293.db2.gz MEUDXBIILITBMM-NSHDSACASA-N 2 2 198.310 0.897 10 0 ACAELP COc1cc[nH+]cc1[C@H](O)[C@@H](C)C[NH3+] 308568280 573389146 /nfs/dbraw/zinc/38/91/46/573389146.db2.gz IXWLUTFQLFHPNK-OIBJUYFYSA-N 2 2 196.250 0.718 10 0 ACAELP [NH3+][C@@H]1CCC[N@H+](CCCOC2CC2)C1 717389146 573389969 /nfs/dbraw/zinc/38/99/69/573389969.db2.gz SAZKSHWTDRZBRY-SNVBAGLBSA-N 2 2 198.310 0.979 10 0 ACAELP [NH3+][C@@H]1CCC[N@@H+](CCCOC2CC2)C1 717389146 573389974 /nfs/dbraw/zinc/38/99/74/573389974.db2.gz SAZKSHWTDRZBRY-SNVBAGLBSA-N 2 2 198.310 0.979 10 0 ACAELP C[NH2+]CC[N@H+](C)[C@H]1CCO[C@H]1C 133274766 573389745 /nfs/dbraw/zinc/38/97/45/573389745.db2.gz CQRCEOPIMGRJKU-IUCAKERBSA-N 2 2 172.272 0.315 10 0 ACAELP c1c[nH+]c(COCC2CC[NH2+]CC2)[nH]1 308568623 573389749 /nfs/dbraw/zinc/38/97/49/573389749.db2.gz JCUYBZPEEIMPCD-UHFFFAOYSA-N 2 2 195.266 0.926 10 0 ACAELP C[NH2+]CC[N@@H+](C)[C@H]1CCO[C@H]1C 133274766 573389750 /nfs/dbraw/zinc/38/97/50/573389750.db2.gz CQRCEOPIMGRJKU-IUCAKERBSA-N 2 2 172.272 0.315 10 0 ACAELP C[NH2+]CC[N@H+](C)[C@@H]1CCO[C@H]1C 133274418 573391038 /nfs/dbraw/zinc/39/10/38/573391038.db2.gz CQRCEOPIMGRJKU-DTWKUNHWSA-N 2 2 172.272 0.315 10 0 ACAELP C[NH2+]CC[N@@H+](C)[C@@H]1CCO[C@H]1C 133274418 573391041 /nfs/dbraw/zinc/39/10/41/573391041.db2.gz CQRCEOPIMGRJKU-DTWKUNHWSA-N 2 2 172.272 0.315 10 0 ACAELP C[NH2+]CCNc1cc[nH+]c(OC)c1 133235013 573391380 /nfs/dbraw/zinc/39/13/80/573391380.db2.gz PDKJBIOIZJMRIF-UHFFFAOYSA-N 2 2 181.239 0.722 10 0 ACAELP CC[C@@]1([NH2+]CC[NH2+]C2CC2)CCOC1 393517209 573391422 /nfs/dbraw/zinc/39/14/22/573391422.db2.gz MEUDXBIILITBMM-LLVKDONJSA-N 2 2 198.310 0.897 10 0 ACAELP C[NH2+]CC[N@H+](C)[C@H]1CCO[C@@H]1C 133274559 573393303 /nfs/dbraw/zinc/39/33/03/573393303.db2.gz CQRCEOPIMGRJKU-BDAKNGLRSA-N 2 2 172.272 0.315 10 0 ACAELP C[NH2+]CC[N@@H+](C)[C@H]1CCO[C@@H]1C 133274559 573393307 /nfs/dbraw/zinc/39/33/07/573393307.db2.gz CQRCEOPIMGRJKU-BDAKNGLRSA-N 2 2 172.272 0.315 10 0 ACAELP OC[C@@H]1C[NH2+]C[C@@H]([NH+]2CCCC2)C1 215185088 573393421 /nfs/dbraw/zinc/39/34/21/573393421.db2.gz NWGHLPVHLCVDSQ-UWVGGRQHSA-N 2 2 184.283 0.053 10 0 ACAELP COc1cccn2c(CC[NH3+])c[nH+]c12 238379542 573393446 /nfs/dbraw/zinc/39/34/46/573393446.db2.gz IAFJAIQEEGMKLB-UHFFFAOYSA-N 2 2 191.234 0.844 10 0 ACAELP C[NH2+]CC[NH2+][C@H]1CCC[C@@H]1OC 50375755 573394800 /nfs/dbraw/zinc/39/48/00/573394800.db2.gz UFNWGQYEFHGIPX-IUCAKERBSA-N 2 2 172.272 0.363 10 0 ACAELP CC[NH2+][C@@H]1C[N@@H+](C2CC2)CC[C@@H]1CO 215200444 573394896 /nfs/dbraw/zinc/39/48/96/573394896.db2.gz LRQHLUOFWMLZSM-MWLCHTKSSA-N 2 2 198.310 0.441 10 0 ACAELP CC[NH2+][C@@H]1C[N@H+](C2CC2)CC[C@@H]1CO 215200444 573394902 /nfs/dbraw/zinc/39/49/02/573394902.db2.gz LRQHLUOFWMLZSM-MWLCHTKSSA-N 2 2 198.310 0.441 10 0 ACAELP C[C@H]1C[N@@H+](C2CCOCC2)CCC[NH2+]1 83092140 573395039 /nfs/dbraw/zinc/39/50/39/573395039.db2.gz BKWRVTYQYQFCJN-JTQLQIEISA-N 2 2 198.310 0.849 10 0 ACAELP C[C@H]1C[N@H+](C2CCOCC2)CCC[NH2+]1 83092140 573395044 /nfs/dbraw/zinc/39/50/44/573395044.db2.gz BKWRVTYQYQFCJN-JTQLQIEISA-N 2 2 198.310 0.849 10 0 ACAELP C[N@@H+]1C[C@@H](CO)[C@H]([NH2+]C2CC2)C1(C)C 215200841 573401126 /nfs/dbraw/zinc/40/11/26/573401126.db2.gz SAAQHDLPHWGPSS-WPRPVWTQSA-N 2 2 198.310 0.440 10 0 ACAELP C[N@H+]1C[C@@H](CO)[C@H]([NH2+]C2CC2)C1(C)C 215200841 573401132 /nfs/dbraw/zinc/40/11/32/573401132.db2.gz SAAQHDLPHWGPSS-WPRPVWTQSA-N 2 2 198.310 0.440 10 0 ACAELP CC[C@H](C)[C@@H]([NH3+])[C@@H]1C[N@H+](C)CCO1 86392872 573400472 /nfs/dbraw/zinc/40/04/72/573400472.db2.gz BAPGFVLXZLPNCH-LPEHRKFASA-N 2 2 186.299 0.690 10 0 ACAELP 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/nfs/dbraw/zinc/45/42/10/573454210.db2.gz HQEDSMWBSMAOTQ-PHDIDXHHSA-N 2 2 164.199 0.531 10 0 ACAELP C[N@H+]1CC[C@@H](C(F)F)[C@H]([NH3+])C1 107259457 573454215 /nfs/dbraw/zinc/45/42/15/573454215.db2.gz HQEDSMWBSMAOTQ-PHDIDXHHSA-N 2 2 164.199 0.531 10 0 ACAELP CC(C)([NH3+])[C@@H]([NH3+])c1cccnc1 259454892 573454280 /nfs/dbraw/zinc/45/42/80/573454280.db2.gz QOZACIJUYKEPOJ-QMMMGPOBSA-N 2 2 165.240 0.819 10 0 ACAELP C[N@@H+]1CC[C@H](Cc2cc(N)cn[nH+]2)C1 259458557 573454411 /nfs/dbraw/zinc/45/44/11/573454411.db2.gz NCEYTDQQBKWWAJ-MRVPVSSYSA-N 2 2 192.266 0.553 10 0 ACAELP C[N@H+]1CC[C@H](Cc2cc(N)cn[nH+]2)C1 259458557 573454417 /nfs/dbraw/zinc/45/44/17/573454417.db2.gz NCEYTDQQBKWWAJ-MRVPVSSYSA-N 2 2 192.266 0.553 10 0 ACAELP C[NH2+]C[C@H](C)[N@H+](C)[C@H]1CCC[C@H]1O 714698429 573454428 /nfs/dbraw/zinc/45/44/28/573454428.db2.gz AXGYBTQZCBVWME-LPEHRKFASA-N 2 2 186.299 0.440 10 0 ACAELP C[NH2+]C[C@H](C)[N@@H+](C)[C@H]1CCC[C@H]1O 714698429 573454434 /nfs/dbraw/zinc/45/44/34/573454434.db2.gz AXGYBTQZCBVWME-LPEHRKFASA-N 2 2 186.299 0.440 10 0 ACAELP CC1(C)COCC[N@@H+]1C1(C[NH3+])CCC1 86475034 573454484 /nfs/dbraw/zinc/45/44/84/573454484.db2.gz CTEJGQYQIIWZBX-UHFFFAOYSA-N 2 2 198.310 0.979 10 0 ACAELP CC1(C)COCC[N@H+]1C1(C[NH3+])CCC1 86475034 573454486 /nfs/dbraw/zinc/45/44/86/573454486.db2.gz CTEJGQYQIIWZBX-UHFFFAOYSA-N 2 2 198.310 0.979 10 0 ACAELP C[NH+](C)CC[NH2+]CC1(CO)CCC1 258658407 573454948 /nfs/dbraw/zinc/45/49/48/573454948.db2.gz NIHJXYNLURVJRT-UHFFFAOYSA-N 2 2 186.299 0.300 10 0 ACAELP C[C@@H]1C[C@@H]1[C@H]([NH3+])Cc1[nH+]ccn1C 86486122 573454966 /nfs/dbraw/zinc/45/49/66/573454966.db2.gz GOBUNCBSHRUVGA-HRDYMLBCSA-N 2 2 179.267 0.946 10 0 ACAELP [NH3+]Cc1ncccc1-n1cc[nH+]c1 86485925 573455934 /nfs/dbraw/zinc/45/59/34/573455934.db2.gz IFDKWUKNNNCJJE-UHFFFAOYSA-N 2 2 174.207 0.726 10 0 ACAELP C[NH2+]C[C@@H]([NH3+])Cc1ccco1 258365705 573456030 /nfs/dbraw/zinc/45/60/30/573456030.db2.gz RVPIZLBVTQGWCC-ZETCQYMHSA-N 2 2 154.213 0.369 10 0 ACAELP OC[C@H]1CCC[C@@H]1[N@@H+]1CCC[NH2+]CC1 215215992 573456034 /nfs/dbraw/zinc/45/60/34/573456034.db2.gz BTHJIYUBNVQBKO-MNOVXSKESA-N 2 2 198.310 0.443 10 0 ACAELP OC[C@H]1CCC[C@@H]1[N@H+]1CCC[NH2+]CC1 215215992 573456037 /nfs/dbraw/zinc/45/60/37/573456037.db2.gz BTHJIYUBNVQBKO-MNOVXSKESA-N 2 2 198.310 0.443 10 0 ACAELP COc1ccc([C@@H]([NH3+])C[NH3+])c(N)c1 238402256 573458954 /nfs/dbraw/zinc/45/89/54/573458954.db2.gz REKJAPINYJOLTG-VIFPVBQESA-N 2 2 181.239 0.236 10 0 ACAELP CC[NH+](CC)[C@H](CC[NH3+])C(=O)OC 257814776 573461630 /nfs/dbraw/zinc/46/16/30/573461630.db2.gz CSFBKXAMQCFBLK-MRVPVSSYSA-N 2 2 188.271 0.219 10 0 ACAELP [NH3+][C@@H]1CCCc2[nH+]c(CCO)cn21 258385061 573461686 /nfs/dbraw/zinc/46/16/86/573461686.db2.gz MWZQBHVWNOCHPI-QMMMGPOBSA-N 2 2 181.239 0.212 10 0 ACAELP [NH3+]C[C@]1(NC2CCCC2)CCC[NH2+]C1 257815192 573461877 /nfs/dbraw/zinc/46/18/77/573461877.db2.gz CWEBWNOGONBTFE-LLVKDONJSA-N 2 2 197.326 0.600 10 0 ACAELP [NH3+][C@H]1CCCc2[nH+]c(CCO)cn21 258385059 573462262 /nfs/dbraw/zinc/46/22/62/573462262.db2.gz MWZQBHVWNOCHPI-MRVPVSSYSA-N 2 2 181.239 0.212 10 0 ACAELP C[C@@H]1C[NH2+][C@@H]([C@@H]2CCCC[NH2+]2)OC1 258369466 573462435 /nfs/dbraw/zinc/46/24/35/573462435.db2.gz GSDJXGMHKAQSII-KXUCPTDWSA-N 2 2 184.283 0.711 10 0 ACAELP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CC2)C[N@@H+]1C 308592091 573462597 /nfs/dbraw/zinc/46/25/97/573462597.db2.gz WCJMTKYTYPDZJS-FBIMIBRVSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CC2)C[N@H+]1C 308592091 573462604 /nfs/dbraw/zinc/46/26/04/573462604.db2.gz WCJMTKYTYPDZJS-FBIMIBRVSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CC2)C[N@@H+]1C 308592092 573462822 /nfs/dbraw/zinc/46/28/22/573462822.db2.gz WCJMTKYTYPDZJS-IEBDPFPHSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CC2)C[N@H+]1C 308592092 573462851 /nfs/dbraw/zinc/46/28/51/573462851.db2.gz WCJMTKYTYPDZJS-IEBDPFPHSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CC2)C[N@@H+]1C 308592090 573462891 /nfs/dbraw/zinc/46/28/91/573462891.db2.gz WCJMTKYTYPDZJS-DVVUODLYSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CC2)C[N@H+]1C 308592090 573462900 /nfs/dbraw/zinc/46/29/00/573462900.db2.gz WCJMTKYTYPDZJS-DVVUODLYSA-N 2 2 198.310 0.440 10 0 ACAELP CC1(C)CO[C@@H]([C@H]2CCC[NH2+]2)[NH2+]1 258369994 573462991 /nfs/dbraw/zinc/46/29/91/573462991.db2.gz GTNICLPXSXXSDK-SFYZADRCSA-N 2 2 170.256 0.463 10 0 ACAELP C[N@H+](CC(C)(C)C)[C@H](C[NH3+])CO 130082052 573463047 /nfs/dbraw/zinc/46/30/47/573463047.db2.gz JXTQMQCKQNKDEA-MRVPVSSYSA-N 2 2 174.288 0.284 10 0 ACAELP C[N@@H+](CC(C)(C)C)[C@H](C[NH3+])CO 130082052 573463054 /nfs/dbraw/zinc/46/30/54/573463054.db2.gz JXTQMQCKQNKDEA-MRVPVSSYSA-N 2 2 174.288 0.284 10 0 ACAELP C[C@@H]1C[NH2+][C@H]([C@@H]2CCCC[NH2+]2)OC1 258369502 573463067 /nfs/dbraw/zinc/46/30/67/573463067.db2.gz GSDJXGMHKAQSII-UTLUCORTSA-N 2 2 184.283 0.711 10 0 ACAELP CC[NH+](CC)[C@@H](CC[NH3+])C(=O)OC 257814777 573463205 /nfs/dbraw/zinc/46/32/05/573463205.db2.gz CSFBKXAMQCFBLK-QMMMGPOBSA-N 2 2 188.271 0.219 10 0 ACAELP [NH3+]C1CC[NH+](Cc2cccnn2)CC1 236240614 573463410 /nfs/dbraw/zinc/46/34/10/573463410.db2.gz HAIBQUVOOMQWTB-UHFFFAOYSA-N 2 2 192.266 0.400 10 0 ACAELP CC1(C)CO[C@@H]([C@@H]2CCC[NH2+]2)[NH2+]1 258370003 573463521 /nfs/dbraw/zinc/46/35/21/573463521.db2.gz GTNICLPXSXXSDK-YUMQZZPRSA-N 2 2 170.256 0.463 10 0 ACAELP [NH3+]C[C@@]1(NC2CCCC2)CCC[NH2+]C1 257815193 573463616 /nfs/dbraw/zinc/46/36/16/573463616.db2.gz CWEBWNOGONBTFE-NSHDSACASA-N 2 2 197.326 0.600 10 0 ACAELP C[N@@H+]1CCC[C@](F)(C[NH3+])C1 107271935 573463746 /nfs/dbraw/zinc/46/37/46/573463746.db2.gz YCCCRSPAPHDIEL-ZETCQYMHSA-N 2 2 146.209 0.379 10 0 ACAELP C[N@H+]1CCC[C@](F)(C[NH3+])C1 107271935 573463751 /nfs/dbraw/zinc/46/37/51/573463751.db2.gz YCCCRSPAPHDIEL-ZETCQYMHSA-N 2 2 146.209 0.379 10 0 ACAELP C[C@H](C[NH+](C)C)NCc1c[nH+]cn1C 130082222 573464188 /nfs/dbraw/zinc/46/41/88/573464188.db2.gz RYZWUNHPZOZBFW-SECBINFHSA-N 2 2 196.298 0.460 10 0 ACAELP CC[C@@H]([NH3+])[C@H](CCO)c1cn(C)c[nH+]1 308592741 573464274 /nfs/dbraw/zinc/46/42/74/573464274.db2.gz WOEIVMGNWAAGAT-DTWKUNHWSA-N 2 2 197.282 0.623 10 0 ACAELP C[N@@H+]1CCC[C@@](F)(C[NH3+])C1 107271939 573464515 /nfs/dbraw/zinc/46/45/15/573464515.db2.gz YCCCRSPAPHDIEL-SSDOTTSWSA-N 2 2 146.209 0.379 10 0 ACAELP C[N@H+]1CCC[C@@](F)(C[NH3+])C1 107271939 573464522 /nfs/dbraw/zinc/46/45/22/573464522.db2.gz YCCCRSPAPHDIEL-SSDOTTSWSA-N 2 2 146.209 0.379 10 0 ACAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@@H]2CO)C1 308592793 573464626 /nfs/dbraw/zinc/46/46/26/573464626.db2.gz LAXKUCUXPUAYHT-LNFKQOIKSA-N 2 2 198.310 0.297 10 0 ACAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@@H]2CO)C1 308592793 573464631 /nfs/dbraw/zinc/46/46/31/573464631.db2.gz LAXKUCUXPUAYHT-LNFKQOIKSA-N 2 2 198.310 0.297 10 0 ACAELP CC1(C)CO[C@H]([C@H]2CCCC[NH2+]2)[NH2+]1 258394288 573464707 /nfs/dbraw/zinc/46/47/07/573464707.db2.gz HXCVPFACEUJELE-RKDXNWHRSA-N 2 2 184.283 0.853 10 0 ACAELP C[C@H](C[NH+](C)C)[NH2+]CC(C)(C)CO 130085656 573465304 /nfs/dbraw/zinc/46/53/04/573465304.db2.gz PDJBXBULKRBTAL-SECBINFHSA-N 2 2 188.315 0.545 10 0 ACAELP C[NH2+][C@H](C1CCC1)[C@H]1C[N@H+](C)CCN1 259461069 573465551 /nfs/dbraw/zinc/46/55/51/573465551.db2.gz PNPGAOZXLMXZBJ-GHMZBOCLSA-N 2 2 197.326 0.278 10 0 ACAELP C[NH2+][C@H](C1CCC1)[C@H]1C[N@@H+](C)CCN1 259461069 573465560 /nfs/dbraw/zinc/46/55/60/573465560.db2.gz PNPGAOZXLMXZBJ-GHMZBOCLSA-N 2 2 197.326 0.278 10 0 ACAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H]2CO)C1 308592795 573465671 /nfs/dbraw/zinc/46/56/71/573465671.db2.gz LAXKUCUXPUAYHT-XWLWVQCSSA-N 2 2 198.310 0.297 10 0 ACAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H]2CO)C1 308592795 573465675 /nfs/dbraw/zinc/46/56/75/573465675.db2.gz LAXKUCUXPUAYHT-XWLWVQCSSA-N 2 2 198.310 0.297 10 0 ACAELP CC[C@H]([NH3+])[C@@H](CCO)c1cn(C)c[nH+]1 308592740 573465768 /nfs/dbraw/zinc/46/57/68/573465768.db2.gz WOEIVMGNWAAGAT-BDAKNGLRSA-N 2 2 197.282 0.623 10 0 ACAELP CC1(C)CO[C@@H]([C@H]2CCCC[NH2+]2)[NH2+]1 258394229 573465822 /nfs/dbraw/zinc/46/58/22/573465822.db2.gz HXCVPFACEUJELE-BDAKNGLRSA-N 2 2 184.283 0.853 10 0 ACAELP CC1(C)CO[C@@H]([C@@H]2CCCC[NH2+]2)[NH2+]1 258394275 573465891 /nfs/dbraw/zinc/46/58/91/573465891.db2.gz HXCVPFACEUJELE-IUCAKERBSA-N 2 2 184.283 0.853 10 0 ACAELP Nc1[nH]cc(Cc2c[nH]c[nH+]2)[nH+]1 142523257 573466099 /nfs/dbraw/zinc/46/60/99/573466099.db2.gz MYKXMWUJJRIRHN-UHFFFAOYSA-N 2 2 163.184 0.306 10 0 ACAELP C[N@H+](CC1CCCC1)[C@H](C[NH3+])CO 130114509 573466311 /nfs/dbraw/zinc/46/63/11/573466311.db2.gz NACYSRHWKKVUID-SNVBAGLBSA-N 2 2 186.299 0.428 10 0 ACAELP C[N@@H+](CC1CCCC1)[C@H](C[NH3+])CO 130114509 573466316 /nfs/dbraw/zinc/46/63/16/573466316.db2.gz NACYSRHWKKVUID-SNVBAGLBSA-N 2 2 186.299 0.428 10 0 ACAELP Cc1[nH]c2c([nH+]1)[C@H](C)C[NH2+]C2 238404086 573466373 /nfs/dbraw/zinc/46/63/73/573466373.db2.gz QPAATMWQRKTNFX-RXMQYKEDSA-N 2 2 151.213 0.925 10 0 ACAELP C[NH2+][C@H](C1CCC1)[C@@H]1C[N@H+](C)CCN1 259461072 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KXYLZAYPHDDLOG-MNOVXSKESA-N 2 2 198.310 0.561 10 0 ACAELP CC(C)(C)C1C[NH+](CC[NH3+])C1 86662927 573552516 /nfs/dbraw/zinc/55/25/16/573552516.db2.gz KOBNQUOBUYHVEB-UHFFFAOYSA-N 2 2 156.273 0.923 10 0 ACAELP CC1CC[NH+]([C@@H]2C[C@H]2[NH3+])CC1 86662733 573552537 /nfs/dbraw/zinc/55/25/37/573552537.db2.gz IRLUCELKMAVAIM-RKDXNWHRSA-N 2 2 154.257 0.818 10 0 ACAELP C[C@@H]([C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 86663327 573552553 /nfs/dbraw/zinc/55/25/53/573552553.db2.gz KOAFIMAWTUXAFK-WDEREUQCSA-N 2 2 198.310 0.707 10 0 ACAELP [NH3+][C@H](C[NH2+]C1CC1)c1ccc[nH]1 259122444 573552658 /nfs/dbraw/zinc/55/26/58/573552658.db2.gz CCCMTVUTTVVWIS-MRVPVSSYSA-N 2 2 165.240 0.767 10 0 ACAELP C[NH2+][C@H](C)C1C[NH+](C)C1 107395890 573552674 /nfs/dbraw/zinc/55/26/74/573552674.db2.gz ZNNCAFXPRQTHPU-ZCFIWIBFSA-N 2 2 128.219 0.156 10 0 ACAELP C[C@@H]1CC[N@@H+]1CC[NH3+] 86662924 573552722 /nfs/dbraw/zinc/55/27/22/573552722.db2.gz JJFLWGNBXCKAMH-ZCFIWIBFSA-N 2 2 114.192 0.039 10 0 ACAELP C[C@@H]1CC[N@H+]1CC[NH3+] 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/nfs/dbraw/zinc/55/41/89/573554189.db2.gz HMCBCNRQOSPHSN-SECBINFHSA-N 2 2 166.268 0.834 10 0 ACAELP CC1C[NH+]([C@H]2CC[NH2+]C2)C1 86663383 573554245 /nfs/dbraw/zinc/55/42/45/573554245.db2.gz QGOPQSAFIBJKLE-QMMMGPOBSA-N 2 2 140.230 0.300 10 0 ACAELP C[NH2+][C@@H]1CC[N@H+](CCOC)C1(C)C 259505160 573554305 /nfs/dbraw/zinc/55/43/05/573554305.db2.gz UASYJFYHZHGSQF-SECBINFHSA-N 2 2 186.299 0.705 10 0 ACAELP C[NH2+][C@@H]1CC[N@@H+](CCOC)C1(C)C 259505160 573554311 /nfs/dbraw/zinc/55/43/11/573554311.db2.gz UASYJFYHZHGSQF-SECBINFHSA-N 2 2 186.299 0.705 10 0 ACAELP Cc1cc(N[C@H](C[NH3+])C2CC2)nc[nH+]1 83565601 573554350 /nfs/dbraw/zinc/55/43/50/573554350.db2.gz IAIOAAOILOCWNS-SECBINFHSA-N 2 2 192.266 0.934 10 0 ACAELP C[C@H]1CC[N@@H+]1[C@@H]1CC[NH2+]C1 86663387 573554423 /nfs/dbraw/zinc/55/44/23/573554423.db2.gz GSZHHGCEZSNZQA-JGVFFNPUSA-N 2 2 140.230 0.443 10 0 ACAELP C[C@H]1CC[N@H+]1[C@@H]1CC[NH2+]C1 86663387 573554428 /nfs/dbraw/zinc/55/44/28/573554428.db2.gz GSZHHGCEZSNZQA-JGVFFNPUSA-N 2 2 140.230 0.443 10 0 ACAELP C[NH2+]CC[NH+]1CC(C)C1 86663472 573554519 /nfs/dbraw/zinc/55/45/19/573554519.db2.gz XKWRCOHBLKYTLT-UHFFFAOYSA-N 2 2 128.219 0.158 10 0 ACAELP CC1CC[NH+]([C@H]2C[C@@H]2[NH3+])CC1 86662732 573555611 /nfs/dbraw/zinc/55/56/11/573555611.db2.gz IRLUCELKMAVAIM-IUCAKERBSA-N 2 2 154.257 0.818 10 0 ACAELP CC[C@@H](C)[C@@H]([NH3+])c1nnc(C[NH2+]C)o1 238269022 573555599 /nfs/dbraw/zinc/55/55/99/573555599.db2.gz RGIQORNIZJZDSL-HTRCEHHLSA-N 2 2 198.270 0.835 10 0 ACAELP CC(C)C1C[NH+]([C@@H]2C[C@H]2[NH3+])C1 86662693 573555488 /nfs/dbraw/zinc/55/54/88/573555488.db2.gz VUZDNWXCBMDMFY-RKDXNWHRSA-N 2 2 154.257 0.674 10 0 ACAELP CO[C@H]1C[NH2+]C[C@@H]1[NH+]1CC(C(C)C)C1 86663109 573555550 /nfs/dbraw/zinc/55/55/50/573555550.db2.gz KXYLZAYPHDDLOG-QWRGUYRKSA-N 2 2 198.310 0.561 10 0 ACAELP CC(C)C1C[NH+]([C@H]2C[C@H]2[NH3+])C1 86662694 573555563 /nfs/dbraw/zinc/55/55/63/573555563.db2.gz VUZDNWXCBMDMFY-BDAKNGLRSA-N 2 2 154.257 0.674 10 0 ACAELP C[N@@H+]1CC[C@H](C[NH2+]Cc2cocn2)C1 308620227 573556889 /nfs/dbraw/zinc/55/68/89/573556889.db2.gz SVNBVOGNMOXPBK-SECBINFHSA-N 2 2 195.266 0.716 10 0 ACAELP C[NH2+]C[C@@H]1C[NH2+]Cc2cc(O)ccc21 257830151 573556559 /nfs/dbraw/zinc/55/65/59/573556559.db2.gz IXOAJCNIYKFATM-SECBINFHSA-N 2 2 192.262 0.798 10 0 ACAELP C[N@H+]1CC[C@H](C[NH2+]Cc2cocn2)C1 308620227 573556893 /nfs/dbraw/zinc/55/68/93/573556893.db2.gz SVNBVOGNMOXPBK-SECBINFHSA-N 2 2 195.266 0.716 10 0 ACAELP Cc1c[nH+]c(CNCC[NH+](C)C)n1C 308619829 573556811 /nfs/dbraw/zinc/55/68/11/573556811.db2.gz SRQSUFJNANYNAB-UHFFFAOYSA-N 2 2 196.298 0.380 10 0 ACAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cocn2)C1 308620229 573557709 /nfs/dbraw/zinc/55/77/09/573557709.db2.gz SVNBVOGNMOXPBK-VIFPVBQESA-N 2 2 195.266 0.716 10 0 ACAELP C[C@@H]([NH3+])C[NH+]1CC2(CCC2)C1 86678842 573557391 /nfs/dbraw/zinc/55/73/91/573557391.db2.gz ADYYQGUZKGYDFT-MRVPVSSYSA-N 2 2 154.257 0.820 10 0 ACAELP C[C@H]([NH3+])C[NH+]1CC2(CCC2)C1 86678839 573557467 /nfs/dbraw/zinc/55/74/67/573557467.db2.gz ADYYQGUZKGYDFT-QMMMGPOBSA-N 2 2 154.257 0.820 10 0 ACAELP C[C@H](O)[C@H]([NH3+])C[NH+]1CC2(CCCC2)C1 86679414 573557574 /nfs/dbraw/zinc/55/75/74/573557574.db2.gz HGPYCAWWORDEDE-VHSXEESVSA-N 2 2 198.310 0.571 10 0 ACAELP [NH3+]CC1([C@H]([NH3+])c2ccccn2)COC1 259506862 573557631 /nfs/dbraw/zinc/55/76/31/573557631.db2.gz RHHFQUMIZMPLJJ-SECBINFHSA-N 2 2 193.250 0.057 10 0 ACAELP C[C@H](C[NH3+])[NH+]1CC2(CCOCC2)C1 86678872 573557646 /nfs/dbraw/zinc/55/76/46/573557646.db2.gz IJBOWEOVANVLIH-SECBINFHSA-N 2 2 184.283 0.446 10 0 ACAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2cocn2)C1 308620229 573557714 /nfs/dbraw/zinc/55/77/14/573557714.db2.gz SVNBVOGNMOXPBK-VIFPVBQESA-N 2 2 195.266 0.716 10 0 ACAELP C[C@H]([NH3+])C[NH+]1CC2(CCOCC2)C1 86678802 573557827 /nfs/dbraw/zinc/55/78/27/573557827.db2.gz MHKJHVYOGVCTHU-VIFPVBQESA-N 2 2 184.283 0.446 10 0 ACAELP CCCCN1CC[N@H+](C)C[C@H]1C(N)=[NH2+] 689971368 573558149 /nfs/dbraw/zinc/55/81/49/573558149.db2.gz JCWAZIMLCXPVCS-VIFPVBQESA-N 2 2 198.314 0.338 10 0 ACAELP C1C[NH2+]C[C@@H]([NH+]2CC3(CC3)C2)C1 86678681 573558318 /nfs/dbraw/zinc/55/83/18/573558318.db2.gz KMOJZXMCILZJNM-VIFPVBQESA-N 2 2 166.268 0.834 10 0 ACAELP [NH3+]CC1([C@@H]([NH3+])c2ccccn2)COC1 259506865 573558033 /nfs/dbraw/zinc/55/80/33/573558033.db2.gz RHHFQUMIZMPLJJ-VIFPVBQESA-N 2 2 193.250 0.057 10 0 ACAELP Cc1ccncc1[C@H]([NH3+])C[NH3+] 83574384 573558038 /nfs/dbraw/zinc/55/80/38/573558038.db2.gz HGKZWJIZWCXXLK-MRVPVSSYSA-N 2 2 151.213 0.349 10 0 ACAELP C[C@@H](O)[C@H]([NH3+])C[NH+]1CC2(CCC2)C1 86679438 573558082 /nfs/dbraw/zinc/55/80/82/573558082.db2.gz WPHDJSRLFDCULS-RKDXNWHRSA-N 2 2 184.283 0.180 10 0 ACAELP C[C@H](O)[C@@H]([NH3+])C[NH+]1CC2(CCCC2)C1 86679418 573558091 /nfs/dbraw/zinc/55/80/91/573558091.db2.gz HGPYCAWWORDEDE-UWVGGRQHSA-N 2 2 198.310 0.571 10 0 ACAELP CCCCN1CC[N@@H+](C)C[C@H]1C(N)=[NH2+] 689971368 573558156 /nfs/dbraw/zinc/55/81/56/573558156.db2.gz JCWAZIMLCXPVCS-VIFPVBQESA-N 2 2 198.314 0.338 10 0 ACAELP C[C@@H](C[NH3+])[NH+]1CC(C)(C)C1 86678930 573558206 /nfs/dbraw/zinc/55/82/06/573558206.db2.gz NVRHYPDGVALAKW-ZETCQYMHSA-N 2 2 142.246 0.675 10 0 ACAELP C[NH+]1CC(C[NH2+]C2CC2)C1 107396507 573558227 /nfs/dbraw/zinc/55/82/27/573558227.db2.gz GWCVPAGTUFHEEU-UHFFFAOYSA-N 2 2 140.230 0.300 10 0 ACAELP C[C@@H](O)[C@@H]([NH3+])C[NH+]1CC2(CCCC2)C1 86679420 573558373 /nfs/dbraw/zinc/55/83/73/573558373.db2.gz HGPYCAWWORDEDE-ZJUUUORDSA-N 2 2 198.310 0.571 10 0 ACAELP [NH3+]C[C@@H](C1CC1)[NH+]1CC2(CC2)C1 86679605 573558530 /nfs/dbraw/zinc/55/85/30/573558530.db2.gz KEHHUPUISZPXHK-VIFPVBQESA-N 2 2 166.268 0.820 10 0 ACAELP CCCCN1CC[N@H+](C)C[C@@H]1C(N)=[NH2+] 689971365 573558694 /nfs/dbraw/zinc/55/86/94/573558694.db2.gz JCWAZIMLCXPVCS-SECBINFHSA-N 2 2 198.314 0.338 10 0 ACAELP CCCCN1CC[N@@H+](C)C[C@@H]1C(N)=[NH2+] 689971365 573558700 /nfs/dbraw/zinc/55/87/00/573558700.db2.gz JCWAZIMLCXPVCS-SECBINFHSA-N 2 2 198.314 0.338 10 0 ACAELP [NH3+]C[C@H](C1CC1)[NH+]1CC2(CC2)C1 86679603 573558775 /nfs/dbraw/zinc/55/87/75/573558775.db2.gz KEHHUPUISZPXHK-SECBINFHSA-N 2 2 166.268 0.820 10 0 ACAELP CC(C)C1C[NH+]([C@@H](C)C[NH3+])C1 86678900 573559486 /nfs/dbraw/zinc/55/94/86/573559486.db2.gz JKXMJCJIVLCGKM-QMMMGPOBSA-N 2 2 156.273 0.921 10 0 ACAELP C[C@@H]([NH3+])C[NH+]1CC(C)(C)C1 86678864 573559033 /nfs/dbraw/zinc/55/90/33/573559033.db2.gz KHRGXEHZIHNYKX-SSDOTTSWSA-N 2 2 142.246 0.675 10 0 ACAELP CC1C[NH+](C[C@@H](C)[NH3+])C1 86678814 573559142 /nfs/dbraw/zinc/55/91/42/573559142.db2.gz HHNBOIUIRRGHTK-SSDOTTSWSA-N 2 2 128.219 0.285 10 0 ACAELP CCC1C[NH+](C[C@H](C)[NH3+])C1 86678812 573559159 /nfs/dbraw/zinc/55/91/59/573559159.db2.gz SUBFHAUVPANCIJ-ZETCQYMHSA-N 2 2 142.246 0.675 10 0 ACAELP CCC(C)(C)C[NH2+]C[NH3+] 258775081 573561636 /nfs/dbraw/zinc/56/16/36/573561636.db2.gz BAJNFLAPKWHFSC-UHFFFAOYSA-N 2 2 130.235 0.928 10 0 ACAELP C[C@@H](O)[C@@H]([NH3+])C[NH+]1CC2(CCC2)C1 86679442 573559383 /nfs/dbraw/zinc/55/93/83/573559383.db2.gz WPHDJSRLFDCULS-BDAKNGLRSA-N 2 2 184.283 0.180 10 0 ACAELP CC[C@@H]([C@@H]1C[N@H+](C)CCN1)[NH+](C)C 259509307 573561034 /nfs/dbraw/zinc/56/10/34/573561034.db2.gz MDFUHNGDEZIMBW-UWVGGRQHSA-N 2 2 185.315 0.230 10 0 ACAELP CC[C@@H]([C@@H]1C[N@@H+](C)CCN1)[NH+](C)C 259509307 573561038 /nfs/dbraw/zinc/56/10/38/573561038.db2.gz MDFUHNGDEZIMBW-UWVGGRQHSA-N 2 2 185.315 0.230 10 0 ACAELP C[N@@H+]1CC[C@H](c2cc[nH+]c(NN)n2)C1 259509419 573560966 /nfs/dbraw/zinc/56/09/66/573560966.db2.gz MEPLKNCWOFHDPI-ZETCQYMHSA-N 2 2 193.254 0.181 10 0 ACAELP C[N@H+]1CC[C@H](c2cc[nH+]c(NN)n2)C1 259509419 573560973 /nfs/dbraw/zinc/56/09/73/573560973.db2.gz MEPLKNCWOFHDPI-ZETCQYMHSA-N 2 2 193.254 0.181 10 0 ACAELP C[C@H]([NH3+])C[NH+]1CC(C)(C)C1 86678862 573561419 /nfs/dbraw/zinc/56/14/19/573561419.db2.gz KHRGXEHZIHNYKX-ZETCQYMHSA-N 2 2 142.246 0.675 10 0 ACAELP CC1C[NH+]([C@@H](C)C[NH3+])C1 86678882 573561609 /nfs/dbraw/zinc/56/16/09/573561609.db2.gz PWOAMAHHKCABGF-ZETCQYMHSA-N 2 2 128.219 0.285 10 0 ACAELP [NH3+][C@@H]1CCC[C@H]1[NH+]1CC2(CC2)C1 86678353 573561540 /nfs/dbraw/zinc/56/15/40/573561540.db2.gz HRUVUJTUDCFJMT-RKDXNWHRSA-N 2 2 166.268 0.962 10 0 ACAELP C[C@@H](O)[C@H]([NH3+])C[NH+]1CC(C)(C)C1 86679509 573561549 /nfs/dbraw/zinc/56/15/49/573561549.db2.gz OPRBOWYHGNGSOU-HTQZYQBOSA-N 2 2 172.272 0.036 10 0 ACAELP Cc1ccncc1[C@@H]([NH3+])C[NH3+] 83574386 573561585 /nfs/dbraw/zinc/56/15/85/573561585.db2.gz HGKZWJIZWCXXLK-QMMMGPOBSA-N 2 2 151.213 0.349 10 0 ACAELP C[C@@H]1CC[N@@H+]1[C@@H]1CCC[NH2+]C1 86678652 573561865 /nfs/dbraw/zinc/56/18/65/573561865.db2.gz GYYRMCUCYRTSQR-RKDXNWHRSA-N 2 2 154.257 0.833 10 0 ACAELP C[C@@H]1CC[N@H+]1[C@@H]1CCC[NH2+]C1 86678652 573561870 /nfs/dbraw/zinc/56/18/70/573561870.db2.gz GYYRMCUCYRTSQR-RKDXNWHRSA-N 2 2 154.257 0.833 10 0 ACAELP CC[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)C1 259112592 573562142 /nfs/dbraw/zinc/56/21/42/573562142.db2.gz XUEJSJRDFKWBPN-UWVGGRQHSA-N 2 2 186.299 0.299 10 0 ACAELP CC[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)C1 259112592 573562149 /nfs/dbraw/zinc/56/21/49/573562149.db2.gz 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2 186.299 0.707 10 0 ACAELP [NH3+]CC[NH2+][C@@H]1CCc2cccnc21 86734435 573596233 /nfs/dbraw/zinc/59/62/33/573596233.db2.gz BSLMEJDFXMJLKY-SECBINFHSA-N 2 2 177.251 0.617 10 0 ACAELP C[NH+](C)CC[NH2+]C1CCC([NH3+])CC1 86724151 573596268 /nfs/dbraw/zinc/59/62/68/573596268.db2.gz HDTNYWUMVCJVNS-UHFFFAOYSA-N 3 2 185.315 0.408 10 0 ACAELP CC(C)[C@@H](C[NH3+])N[C@H]1CC[N@H+](C)C1 258816309 573596415 /nfs/dbraw/zinc/59/64/15/573596415.db2.gz LFIMYVSRPAPJMD-VHSXEESVSA-N 2 2 185.315 0.263 10 0 ACAELP CC(C)[C@@H](C[NH3+])N[C@H]1CC[N@@H+](C)C1 258816309 573596421 /nfs/dbraw/zinc/59/64/21/573596421.db2.gz LFIMYVSRPAPJMD-VHSXEESVSA-N 2 2 185.315 0.263 10 0 ACAELP CC(C)[C@@H](C[NH3+])[NH2+][C@H]1CCN(C)C1 258816309 573596427 /nfs/dbraw/zinc/59/64/27/573596427.db2.gz LFIMYVSRPAPJMD-VHSXEESVSA-N 2 2 185.315 0.263 10 0 ACAELP C[C@@H]1C[NH2+][C@H](Cc2c[nH]c[nH+]2)CN1C 238456262 573596481 /nfs/dbraw/zinc/59/64/81/573596481.db2.gz HFQZSLJERVCIOH-PSASIEDQSA-N 2 2 194.282 0.244 10 0 ACAELP 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RSRXINSABFBSEY-ZCFIWIBFSA-N 2 2 153.229 0.998 10 0 ACAELP [NH3+]C[NH2+]CCc1ccc(F)cc1 258814782 573600810 /nfs/dbraw/zinc/60/08/10/573600810.db2.gz FPTCKMKWMXNPAE-UHFFFAOYSA-N 2 2 168.215 0.874 10 0 ACAELP C[C@H](C[NH+](C)C)[NH2+]CCCF 130490264 573600905 /nfs/dbraw/zinc/60/09/05/573600905.db2.gz SNCNYCDISGNCOH-MRVPVSSYSA-N 2 2 162.252 0.886 10 0 ACAELP CCn1cc[nH+]c1C[C@@]1(O)CC[NH2+]C1 86749729 573600958 /nfs/dbraw/zinc/60/09/58/573600958.db2.gz GXADAXNAFVDLCO-JTQLQIEISA-N 2 2 195.266 0.170 10 0 ACAELP Cn1cc[nH+]c1C[C@]1(O)CC[N@H+](C)C1 86749657 573601006 /nfs/dbraw/zinc/60/10/06/573601006.db2.gz XLTPJWHLRAEULR-SNVBAGLBSA-N 2 2 195.266 0.029 10 0 ACAELP Cn1cc[nH+]c1C[C@@H]([NH3+])[C@H]1CCOC1 86752615 573601060 /nfs/dbraw/zinc/60/10/60/573601060.db2.gz PIJSEFLTAHSQKW-DTWKUNHWSA-N 2 2 195.266 0.326 10 0 ACAELP C[C@@H]1C[NH2+][C@H]2[NH2+]CCC[C@@H]2C1 238456847 573601154 /nfs/dbraw/zinc/60/11/54/573601154.db2.gz PJEPNQQQAOCJSM-DJLDLDEBSA-N 2 2 154.257 0.942 10 0 ACAELP 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/nfs/dbraw/zinc/74/37/46/573743746.db2.gz KLWAONRSWQEZSC-RKDXNWHRSA-N 3 2 171.288 0.003 10 0 ACAELP CC(C)[N@@H+]1CC[C@H]([C@H]([NH3+])C[NH3+])C1 258103521 573743765 /nfs/dbraw/zinc/74/37/65/573743765.db2.gz KLWAONRSWQEZSC-DTWKUNHWSA-N 3 2 171.288 0.003 10 0 ACAELP CC(C)[N@H+]1CC[C@H]([C@H]([NH3+])C[NH3+])C1 258103521 573743769 /nfs/dbraw/zinc/74/37/69/573743769.db2.gz KLWAONRSWQEZSC-DTWKUNHWSA-N 3 2 171.288 0.003 10 0 ACAELP CC[C@H](C1C[NH2+]C1)[NH+]1CCN(C)CC1 716145849 573744088 /nfs/dbraw/zinc/74/40/88/573744088.db2.gz QGLQOBZKRBKOGS-LLVKDONJSA-N 2 2 197.326 0.232 10 0 ACAELP CC[NH2+]CCc1cn(C[C@H](C)O)c[nH+]1 87016797 573745146 /nfs/dbraw/zinc/74/51/46/573745146.db2.gz JZGJUEBESLTINA-VIFPVBQESA-N 2 2 197.282 0.416 10 0 ACAELP C[N@@H+](Cc1ccccc1)C[C@H](N)C[NH3+] 258901503 573746925 /nfs/dbraw/zinc/74/69/25/573746925.db2.gz GOXAWXMARVAPNL-LLVKDONJSA-N 2 2 193.294 0.404 10 0 ACAELP C[N@H+](Cc1ccccc1)C[C@H](N)C[NH3+] 258901503 573746931 /nfs/dbraw/zinc/74/69/31/573746931.db2.gz GOXAWXMARVAPNL-LLVKDONJSA-N 2 2 193.294 0.404 10 0 ACAELP CN(Cc1ccccc1)C[C@H]([NH3+])C[NH3+] 258901503 573746936 /nfs/dbraw/zinc/74/69/36/573746936.db2.gz GOXAWXMARVAPNL-LLVKDONJSA-N 2 2 193.294 0.404 10 0 ACAELP C[C@H]([NH3+])[C@H](C)[NH2+]CCN1CCCCC1 308700755 573746987 /nfs/dbraw/zinc/74/69/87/573746987.db2.gz UVENQKMIKKKJGG-QWRGUYRKSA-N 2 2 199.342 0.798 10 0 ACAELP C[C@H]([NH2+]CCN1CCCCC1)[C@@H](C)[NH3+] 308700754 573748484 /nfs/dbraw/zinc/74/84/84/573748484.db2.gz UVENQKMIKKKJGG-MNOVXSKESA-N 2 2 199.342 0.798 10 0 ACAELP C[C@@H](C[NH3+])C(=O)N[C@H](C)c1[nH]cc[nH+]1 125026357 573749055 /nfs/dbraw/zinc/74/90/55/573749055.db2.gz OYFKRJSOTOILEP-NKWVEPMBSA-N 2 2 196.254 0.182 10 0 ACAELP C[NH2+]C[C@H]1CCC[C@H]1[NH+]1CCOCC1 108310107 573749116 /nfs/dbraw/zinc/74/91/16/573749116.db2.gz OZTXCFCECZTFIM-GHMZBOCLSA-N 2 2 198.310 0.707 10 0 ACAELP C[C@@H]1C[C@H]([NH3+])CN(Cc2c[nH+]c[nH]2)C1 87041458 573749266 /nfs/dbraw/zinc/74/92/66/573749266.db2.gz AVSAAIIWQIVWID-BDAKNGLRSA-N 2 2 194.282 0.579 10 0 ACAELP C[C@@H]1C[C@H]([NH3+])CN(Cc2c[nH]c[nH+]2)C1 87041458 573749269 /nfs/dbraw/zinc/74/92/69/573749269.db2.gz AVSAAIIWQIVWID-BDAKNGLRSA-N 2 2 194.282 0.579 10 0 ACAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)[NH3+] 308706557 573749606 /nfs/dbraw/zinc/74/96/06/573749606.db2.gz WYOOFUOIQLGMQI-SNVBAGLBSA-N 3 2 199.342 0.798 10 0 ACAELP CC[N@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)[NH3+] 308706557 573749611 /nfs/dbraw/zinc/74/96/11/573749611.db2.gz WYOOFUOIQLGMQI-SNVBAGLBSA-N 3 2 199.342 0.798 10 0 ACAELP C[NH2+]C[C@@H]1CCC[C@H]1[NH+]1CCOCC1 108310105 573749737 /nfs/dbraw/zinc/74/97/37/573749737.db2.gz OZTXCFCECZTFIM-WDEREUQCSA-N 2 2 198.310 0.707 10 0 ACAELP CC[N@H+]1CCC[C@H]1C[NH2+]CC(C)(C)[NH3+] 308706556 573751570 /nfs/dbraw/zinc/75/15/70/573751570.db2.gz WYOOFUOIQLGMQI-JTQLQIEISA-N 3 2 199.342 0.798 10 0 ACAELP C[NH2+]C[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 108310097 573751689 /nfs/dbraw/zinc/75/16/89/573751689.db2.gz OZTXCFCECZTFIM-QWRGUYRKSA-N 2 2 198.310 0.707 10 0 ACAELP CC[C@@H]1[NH2+][C@@H](C[NH3+])Cc2ncn(C)c21 257873536 573753189 /nfs/dbraw/zinc/75/31/89/573753189.db2.gz UAZMAQMYCYOHKF-SFYZADRCSA-N 2 2 194.282 0.344 10 0 ACAELP CC(=O)O[C@@H]1CC[N@H+]2[C@H]1CC[C@@H]2C[NH3+] 238063587 573751961 /nfs/dbraw/zinc/75/19/61/573751961.db2.gz BMJCKDKLLUNEHL-KXUCPTDWSA-N 2 2 198.266 0.114 10 0 ACAELP CC(=O)O[C@@H]1CC[N@@H+]2[C@H]1CC[C@@H]2C[NH3+] 238063587 573751966 /nfs/dbraw/zinc/75/19/66/573751966.db2.gz BMJCKDKLLUNEHL-KXUCPTDWSA-N 2 2 198.266 0.114 10 0 ACAELP COC(=[NH2+])[C@H](O)[C@@H]([NH3+])CC1CCC1 238343310 573751999 /nfs/dbraw/zinc/75/19/99/573751999.db2.gz CIPYGMFTZYCKHI-JGVFFNPUSA-N 2 2 186.255 0.488 10 0 ACAELP CC[C@H]1[NH2+][C@@H](C[NH3+])Cc2ncn(C)c21 257873529 573752209 /nfs/dbraw/zinc/75/22/09/573752209.db2.gz UAZMAQMYCYOHKF-HTQZYQBOSA-N 2 2 194.282 0.344 10 0 ACAELP [NH3+]CC[NH2+][C@H]1CCC[C@H]1n1cc[nH+]c1 308703765 573752319 /nfs/dbraw/zinc/75/23/19/573752319.db2.gz VXFQNKYDVNIZGG-VHSXEESVSA-N 3 2 194.282 0.525 10 0 ACAELP [NH3+]CC[NH2+][C@@H]1CCC[C@H]1n1cc[nH+]c1 308703758 573752423 /nfs/dbraw/zinc/75/24/23/573752423.db2.gz VXFQNKYDVNIZGG-NXEZZACHSA-N 3 2 194.282 0.525 10 0 ACAELP C[C@@H]1C[C@@H]([NH3+])CN(Cc2c[nH+]c[nH]2)C1 87041461 573752441 /nfs/dbraw/zinc/75/24/41/573752441.db2.gz AVSAAIIWQIVWID-RKDXNWHRSA-N 2 2 194.282 0.579 10 0 ACAELP C[C@@H]1C[C@@H]([NH3+])CN(Cc2c[nH]c[nH+]2)C1 87041461 573752446 /nfs/dbraw/zinc/75/24/46/573752446.db2.gz AVSAAIIWQIVWID-RKDXNWHRSA-N 2 2 194.282 0.579 10 0 ACAELP [NH3+]CC[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 308703768 573752738 /nfs/dbraw/zinc/75/27/38/573752738.db2.gz VXFQNKYDVNIZGG-ZJUUUORDSA-N 3 2 194.282 0.525 10 0 ACAELP C[NH2+]C[C@H]1CCC[C@@H]1[NH+]1CCOCC1 108310101 573752932 /nfs/dbraw/zinc/75/29/32/573752932.db2.gz OZTXCFCECZTFIM-MNOVXSKESA-N 2 2 198.310 0.707 10 0 ACAELP COCC[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 87041446 573753094 /nfs/dbraw/zinc/75/30/94/573753094.db2.gz NWZNGMPLFWIMCS-RKDXNWHRSA-N 2 2 172.272 0.302 10 0 ACAELP COCC[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 87041446 573753088 /nfs/dbraw/zinc/75/30/88/573753088.db2.gz NWZNGMPLFWIMCS-RKDXNWHRSA-N 2 2 172.272 0.302 10 0 ACAELP CC(C)(C[NH+]1CCOCC1)C1([NH3+])CC1 258120126 573758201 /nfs/dbraw/zinc/75/82/01/573758201.db2.gz PLANBBKSVOGIEB-UHFFFAOYSA-N 2 2 198.310 0.836 10 0 ACAELP CN(C[C@H]([NH3+])C[NH3+])c1ccccc1 258914650 573757782 /nfs/dbraw/zinc/75/77/82/573757782.db2.gz HWVNDLVYSIPLFW-SECBINFHSA-N 2 2 179.267 0.409 10 0 ACAELP CC[N@@H+]1CC[C@H]([C@@H]([NH3+])C[NH+](C)C)C1 258121082 573758169 /nfs/dbraw/zinc/75/81/69/573758169.db2.gz LIORAXQSEKQLJA-UWVGGRQHSA-N 3 2 185.315 0.217 10 0 ACAELP CC[N@H+]1CC[C@H]([C@@H]([NH3+])C[NH+](C)C)C1 258121082 573758175 /nfs/dbraw/zinc/75/81/75/573758175.db2.gz LIORAXQSEKQLJA-UWVGGRQHSA-N 3 2 185.315 0.217 10 0 ACAELP c1cc(C[NH2+]CC[NH2+]C2CC2)c[nH]1 258917216 573759898 /nfs/dbraw/zinc/75/98/98/573759898.db2.gz OAGNNVQOILDONM-UHFFFAOYSA-N 2 2 179.267 0.856 10 0 ACAELP [NH3+][C@@H]1CCC[C@H]1C[NH2+]CC(F)F 147868431 573758972 /nfs/dbraw/zinc/75/89/72/573758972.db2.gz TVSXHEGGWREUCT-NKWVEPMBSA-N 2 2 178.226 0.969 10 0 ACAELP C[C@@]12CC[NH2+][C@@H](Cc3[nH]c[nH+]c31)C2 238505577 573759120 /nfs/dbraw/zinc/75/91/20/573759120.db2.gz FURVWGVSOAYRBF-XVKPBYJWSA-N 2 2 177.251 0.976 10 0 ACAELP c1[nH]c(CN[C@@H]2CCC[NH2+]C2)c[nH+]1 84080837 573759858 /nfs/dbraw/zinc/75/98/58/573759858.db2.gz XXBQBQFOKSBAAF-MRVPVSSYSA-N 2 2 180.255 0.251 10 0 ACAELP COCCc1[nH+]cc2n1[C@H]([NH3+])CCC2 258120262 573759330 /nfs/dbraw/zinc/75/93/30/573759330.db2.gz GNYFQCWGHOUTNA-VIFPVBQESA-N 2 2 195.266 0.866 10 0 ACAELP c1[nH]cc(CN[C@@H]2CCC[NH2+]C2)[nH+]1 84080837 573759865 /nfs/dbraw/zinc/75/98/65/573759865.db2.gz XXBQBQFOKSBAAF-MRVPVSSYSA-N 2 2 180.255 0.251 10 0 ACAELP C[N@H+](C[NH3+])C1CCCC1 258914951 573759364 /nfs/dbraw/zinc/75/93/64/573759364.db2.gz PSAKMVKPEALSLM-UHFFFAOYSA-N 2 2 128.219 0.777 10 0 ACAELP [NH3+]C[C@@H]([NH3+])CNc1ccccc1 258917318 573759423 /nfs/dbraw/zinc/75/94/23/573759423.db2.gz 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C[N@@H+]1CCC[C@@H]([C@@](C)([NH3+])C[NH3+])C1 259188492 573789764 /nfs/dbraw/zinc/78/97/64/573789764.db2.gz XVFKFMTYMKRPEF-BDAKNGLRSA-N 3 2 171.288 0.004 10 0 ACAELP C[N@H+]1CCC[C@@H]([C@@](C)([NH3+])C[NH3+])C1 259188492 573789769 /nfs/dbraw/zinc/78/97/69/573789769.db2.gz XVFKFMTYMKRPEF-BDAKNGLRSA-N 3 2 171.288 0.004 10 0 ACAELP CCn1cc[nH+]c1C[C@@H]1COCC[NH2+]1 76167426 573789772 /nfs/dbraw/zinc/78/97/72/573789772.db2.gz UMROVXSCUICPKY-SECBINFHSA-N 2 2 195.266 0.434 10 0 ACAELP Cc1[nH]c(COC2CC[NH2+]CC2)c[nH+]1 238516841 573789896 /nfs/dbraw/zinc/78/98/96/573789896.db2.gz IWTQJOWUYWPWHT-UHFFFAOYSA-N 2 2 195.266 0.987 10 0 ACAELP Cc1[nH]cc(COC2CC[NH2+]CC2)[nH+]1 238516841 573789901 /nfs/dbraw/zinc/78/99/01/573789901.db2.gz IWTQJOWUYWPWHT-UHFFFAOYSA-N 2 2 195.266 0.987 10 0 ACAELP C[NH2+]Cc1noc([C@H]2CCCC[NH2+]2)n1 257874015 573790055 /nfs/dbraw/zinc/79/00/55/573790055.db2.gz AOVXHPKNHRZKHE-SSDOTTSWSA-N 2 2 196.254 0.604 10 0 ACAELP CC(C)CCC[N@H+](C)C[C@H](N)C[NH3+] 259189535 573790111 /nfs/dbraw/zinc/79/01/11/573790111.db2.gz WNJRFPSHIPOCED-SNVBAGLBSA-N 2 2 187.331 0.640 10 0 ACAELP CC(C)CCC[N@@H+](C)C[C@H](N)C[NH3+] 259189535 573790119 /nfs/dbraw/zinc/79/01/19/573790119.db2.gz WNJRFPSHIPOCED-SNVBAGLBSA-N 2 2 187.331 0.640 10 0 ACAELP C[N@@H+]1CCC[C@@H]([C@](C)([NH3+])C[NH3+])C1 259188501 573790388 /nfs/dbraw/zinc/79/03/88/573790388.db2.gz XVFKFMTYMKRPEF-RKDXNWHRSA-N 3 2 171.288 0.004 10 0 ACAELP C[N@H+]1CCC[C@@H]([C@](C)([NH3+])C[NH3+])C1 259188501 573790395 /nfs/dbraw/zinc/79/03/95/573790395.db2.gz XVFKFMTYMKRPEF-RKDXNWHRSA-N 3 2 171.288 0.004 10 0 ACAELP C[C@@H]1[NH2+]CN(CC(C)(C)[NH+](C)C)C1=O 122671633 573790602 /nfs/dbraw/zinc/79/06/02/573790602.db2.gz VJBKPLCXYKKEQP-QMMMGPOBSA-N 2 2 199.298 0.104 10 0 ACAELP CC(C)(C)CC[NH2+]C[NH3+] 258944030 573790721 /nfs/dbraw/zinc/79/07/21/573790721.db2.gz UACCYWOWAKVSGJ-UHFFFAOYSA-N 2 2 130.235 0.928 10 0 ACAELP C[NH2+]CC[NH2+][C@@H](C)CC(F)F 393590310 573790906 /nfs/dbraw/zinc/79/09/06/573790906.db2.gz ONAZVKBZXHWCPV-LURJTMIESA-N 2 2 166.215 0.839 10 0 ACAELP CCC[C@@H]([NH3+])[NH2+]C 78635440 573790956 /nfs/dbraw/zinc/79/09/56/573790956.db2.gz JTMDNVKRXCGNIP-YFKPBYRVSA-N 2 2 102.181 0.291 10 0 ACAELP C[NH2+]CCC[N@@H+]1CCO[C@H]2CCC[C@@H]21 43427126 573791087 /nfs/dbraw/zinc/79/10/87/573791087.db2.gz NLPLOOOJKXDTQY-QWRGUYRKSA-N 2 2 198.310 0.849 10 0 ACAELP C[NH2+]CCC[N@H+]1CCO[C@H]2CCC[C@@H]21 43427126 573791091 /nfs/dbraw/zinc/79/10/91/573791091.db2.gz NLPLOOOJKXDTQY-QWRGUYRKSA-N 2 2 198.310 0.849 10 0 ACAELP C[N@@H+]1CCC[C@H]([C@@](C)([NH3+])C[NH3+])C1 259188498 573791159 /nfs/dbraw/zinc/79/11/59/573791159.db2.gz XVFKFMTYMKRPEF-IUCAKERBSA-N 3 2 171.288 0.004 10 0 ACAELP C[C@H]1[NH2+]CN(CC(C)(C)[NH+](C)C)C1=O 122671414 573791163 /nfs/dbraw/zinc/79/11/63/573791163.db2.gz VJBKPLCXYKKEQP-MRVPVSSYSA-N 2 2 199.298 0.104 10 0 ACAELP C[N@H+]1CCC[C@H]([C@@](C)([NH3+])C[NH3+])C1 259188498 573791166 /nfs/dbraw/zinc/79/11/66/573791166.db2.gz XVFKFMTYMKRPEF-IUCAKERBSA-N 3 2 171.288 0.004 10 0 ACAELP CC[C@H](C)[NH2+]CC[NH2+]C[C@@H](C)O 127302892 573791581 /nfs/dbraw/zinc/79/15/81/573791581.db2.gz YANBATPHDCXAGD-DTWKUNHWSA-N 2 2 174.288 0.345 10 0 ACAELP C[N@@H+]1CCC[C@H]([C@](C)([NH3+])C[NH3+])C1 259188495 573791652 /nfs/dbraw/zinc/79/16/52/573791652.db2.gz XVFKFMTYMKRPEF-DTWKUNHWSA-N 3 2 171.288 0.004 10 0 ACAELP C[N@H+]1CCC[C@H]([C@](C)([NH3+])C[NH3+])C1 259188495 573791656 /nfs/dbraw/zinc/79/16/56/573791656.db2.gz XVFKFMTYMKRPEF-DTWKUNHWSA-N 3 2 171.288 0.004 10 0 ACAELP CC[C@@H](C)[NH2+]CC[NH2+]C[C@@H](C)O 127302670 573791733 /nfs/dbraw/zinc/79/17/33/573791733.db2.gz YANBATPHDCXAGD-RKDXNWHRSA-N 2 2 174.288 0.345 10 0 ACAELP C[C@H](O)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 87129067 573792065 /nfs/dbraw/zinc/79/20/65/573792065.db2.gz OPARRECTAUKSHL-UKKRHICBSA-N 2 2 198.310 0.582 10 0 ACAELP CN(C[C@@H]([NH3+])C[NH3+])c1cccs1 258944773 573791816 /nfs/dbraw/zinc/79/18/16/573791816.db2.gz KDOCOISVPPAPKW-ZETCQYMHSA-N 2 2 185.296 0.470 10 0 ACAELP C[NH2+]Cc1noc([C@@H]2CCCC[NH2+]2)n1 257874016 573791831 /nfs/dbraw/zinc/79/18/31/573791831.db2.gz AOVXHPKNHRZKHE-ZETCQYMHSA-N 2 2 196.254 0.604 10 0 ACAELP C[C@H](O)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 87129067 573792072 /nfs/dbraw/zinc/79/20/72/573792072.db2.gz OPARRECTAUKSHL-UKKRHICBSA-N 2 2 198.310 0.582 10 0 ACAELP Cc1nc([C@@H]2[NH2+]C[C@@H]3[C@@H]([NH3+])[C@H]23)oc1C 238521478 573796298 /nfs/dbraw/zinc/79/62/98/573796298.db2.gz QCIOPJYVXAKTIJ-JQCXWYLXSA-N 2 2 193.250 0.509 10 0 ACAELP Cc1cccc(CO)c1[C@H]([NH3+])C[NH3+] 238521019 573796316 /nfs/dbraw/zinc/79/63/16/573796316.db2.gz NZJDZNUXMYPDSS-SECBINFHSA-N 2 2 180.251 0.446 10 0 ACAELP Cc1[nH+]c2cc([C@@H]([NH3+])O)ccc2n1C 259191106 573796435 /nfs/dbraw/zinc/79/64/35/573796435.db2.gz DCLDLCUBPHKVGW-JTQLQIEISA-N 2 2 191.234 0.831 10 0 ACAELP C[C@H](O)C[NH2+]CC[NH2+]C1CCCC1 127305392 573796527 /nfs/dbraw/zinc/79/65/27/573796527.db2.gz XUUSTGDCRWRRTI-VIFPVBQESA-N 2 2 186.299 0.489 10 0 ACAELP Cc1ccc(N)cc1[C@H]([NH3+])C[NH3+] 238514280 573798857 /nfs/dbraw/zinc/79/88/57/573798857.db2.gz GCVIKCQYUVMHMB-SECBINFHSA-N 2 2 165.240 0.536 10 0 ACAELP C[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C 308746935 573799592 /nfs/dbraw/zinc/79/95/92/573799592.db2.gz RSANLGSGYJXWJD-QXEWZRGKSA-N 2 2 198.310 0.440 10 0 ACAELP CC[N@@H+]1CCC[C@H]1c1noc(C[NH3+])n1 257878099 573796833 /nfs/dbraw/zinc/79/68/33/573796833.db2.gz BCWKXEULJNOVAM-ZETCQYMHSA-N 2 2 196.254 0.685 10 0 ACAELP CC[N@H+]1CCC[C@H]1c1noc(C[NH3+])n1 257878099 573796837 /nfs/dbraw/zinc/79/68/37/573796837.db2.gz BCWKXEULJNOVAM-ZETCQYMHSA-N 2 2 196.254 0.685 10 0 ACAELP C[NH2+][C@@H](c1ccc(C)o1)[C@H](O)C[NH3+] 259571851 573796846 /nfs/dbraw/zinc/79/68/46/573796846.db2.gz WSVWJZDWVPAQJV-VXNVDRBHSA-N 2 2 184.239 0.168 10 0 ACAELP C[C@@H](CC[NH3+])C[NH2+][C@@H]1CCC[N@H+](C)C1 258950188 573797023 /nfs/dbraw/zinc/79/70/23/573797023.db2.gz RFNPSPXDXKHFTC-WDEREUQCSA-N 3 2 199.342 0.655 10 0 ACAELP C[C@@H](CC[NH3+])C[NH2+][C@@H]1CCC[N@@H+](C)C1 258950188 573797030 /nfs/dbraw/zinc/79/70/30/573797030.db2.gz RFNPSPXDXKHFTC-WDEREUQCSA-N 3 2 199.342 0.655 10 0 ACAELP C[C@H](CC[NH3+])C[NH2+][C@@H]1CCC[N@H+](C)C1 258950182 573797064 /nfs/dbraw/zinc/79/70/64/573797064.db2.gz RFNPSPXDXKHFTC-GHMZBOCLSA-N 3 2 199.342 0.655 10 0 ACAELP C[C@H](CC[NH3+])C[NH2+][C@@H]1CCC[N@@H+](C)C1 258950182 573797069 /nfs/dbraw/zinc/79/70/69/573797069.db2.gz RFNPSPXDXKHFTC-GHMZBOCLSA-N 3 2 199.342 0.655 10 0 ACAELP C[C@H](O)[C@H](C)[N@H+](C)[C@@H]1CC[NH2+]C1 87140660 573797227 /nfs/dbraw/zinc/79/72/27/573797227.db2.gz OVURATTVNISOFD-XHNCKOQMSA-N 2 2 172.272 0.049 10 0 ACAELP C[C@H](O)[C@H](C)[N@@H+](C)[C@@H]1CC[NH2+]C1 87140660 573797232 /nfs/dbraw/zinc/79/72/32/573797232.db2.gz OVURATTVNISOFD-XHNCKOQMSA-N 2 2 172.272 0.049 10 0 ACAELP C[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C 308746934 573797242 /nfs/dbraw/zinc/79/72/42/573797242.db2.gz RSANLGSGYJXWJD-ATZCPNFKSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C 308746934 573797249 /nfs/dbraw/zinc/79/72/49/573797249.db2.gz RSANLGSGYJXWJD-ATZCPNFKSA-N 2 2 198.310 0.440 10 0 ACAELP [NH3+][C@@H](C1CCCC1)[C@@H]1COCC[NH2+]1 259188908 573797323 /nfs/dbraw/zinc/79/73/23/573797323.db2.gz CZDLSCTVSTXARZ-UWVGGRQHSA-N 2 2 184.283 0.492 10 0 ACAELP C[N@H+](C[C@H]([NH3+])CCO)C1CCC1 127307353 573797392 /nfs/dbraw/zinc/79/73/92/573797392.db2.gz IWKZFLBXUYBXCR-MRVPVSSYSA-N 2 2 172.272 0.180 10 0 ACAELP C[N@@H+](C[C@H]([NH3+])CCO)C1CCC1 127307353 573797395 /nfs/dbraw/zinc/79/73/95/573797395.db2.gz IWKZFLBXUYBXCR-MRVPVSSYSA-N 2 2 172.272 0.180 10 0 ACAELP CC[N@H+](CCOC)[C@@]1(C)CC[NH2+]C1 308745860 573797414 /nfs/dbraw/zinc/79/74/14/573797414.db2.gz RCRVOPOTUFQZCB-JTQLQIEISA-N 2 2 186.299 0.707 10 0 ACAELP CC[N@@H+](CCOC)[C@@]1(C)CC[NH2+]C1 308745860 573797420 /nfs/dbraw/zinc/79/74/20/573797420.db2.gz RCRVOPOTUFQZCB-JTQLQIEISA-N 2 2 186.299 0.707 10 0 ACAELP C[C@H](O)[C@@H](C)[N@H+](C)[C@@H]1CC[NH2+]C1 87140664 573797542 /nfs/dbraw/zinc/79/75/42/573797542.db2.gz OVURATTVNISOFD-HRDYMLBCSA-N 2 2 172.272 0.049 10 0 ACAELP C[C@H](O)[C@@H](C)[N@@H+](C)[C@@H]1CC[NH2+]C1 87140664 573797548 /nfs/dbraw/zinc/79/75/48/573797548.db2.gz OVURATTVNISOFD-HRDYMLBCSA-N 2 2 172.272 0.049 10 0 ACAELP CC[N@H+](CCOC)[C@]1(C)CC[NH2+]C1 308745861 573797608 /nfs/dbraw/zinc/79/76/08/573797608.db2.gz RCRVOPOTUFQZCB-SNVBAGLBSA-N 2 2 186.299 0.707 10 0 ACAELP C[NH2+][C@H](c1ccc(C)o1)[C@@H](O)C[NH3+] 259571845 573797611 /nfs/dbraw/zinc/79/76/11/573797611.db2.gz WSVWJZDWVPAQJV-CBAPKCEASA-N 2 2 184.239 0.168 10 0 ACAELP CC[N@@H+](CCOC)[C@]1(C)CC[NH2+]C1 308745861 573797613 /nfs/dbraw/zinc/79/76/13/573797613.db2.gz RCRVOPOTUFQZCB-SNVBAGLBSA-N 2 2 186.299 0.707 10 0 ACAELP C[C@@H](CC[NH3+])C[NH2+][C@H]1CCC[N@H+](C)C1 258950186 573797629 /nfs/dbraw/zinc/79/76/29/573797629.db2.gz RFNPSPXDXKHFTC-QWRGUYRKSA-N 3 2 199.342 0.655 10 0 ACAELP C[C@@H](CC[NH3+])C[NH2+][C@H]1CCC[N@@H+](C)C1 258950186 573797633 /nfs/dbraw/zinc/79/76/33/573797633.db2.gz RFNPSPXDXKHFTC-QWRGUYRKSA-N 3 2 199.342 0.655 10 0 ACAELP C[C@H](CC[NH3+])C[NH2+][C@H]1CCC[N@H+](C)C1 258950185 573797675 /nfs/dbraw/zinc/79/76/75/573797675.db2.gz RFNPSPXDXKHFTC-MNOVXSKESA-N 3 2 199.342 0.655 10 0 ACAELP C[C@H](CC[NH3+])C[NH2+][C@H]1CCC[N@@H+](C)C1 258950185 573797678 /nfs/dbraw/zinc/79/76/78/573797678.db2.gz RFNPSPXDXKHFTC-MNOVXSKESA-N 3 2 199.342 0.655 10 0 ACAELP CCC(CC)[NH2+]CC[NH2+]C[C@@H](C)O 127307619 573797782 /nfs/dbraw/zinc/79/77/82/573797782.db2.gz XGIZYEUMEVCRCR-SECBINFHSA-N 2 2 188.315 0.735 10 0 ACAELP C[N@@H+](C1CCC1)[C@@H](C[NH3+])[C@@H]1CCCO1 127226341 573798682 /nfs/dbraw/zinc/79/86/82/573798682.db2.gz KTEOADDLHSTHSV-QWRGUYRKSA-N 2 2 198.310 0.977 10 0 ACAELP C[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C 308746936 573798330 /nfs/dbraw/zinc/79/83/30/573798330.db2.gz RSANLGSGYJXWJD-WCABBAIRSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@@H](O)C[NH2+]CC[NH2+]C1CCCC1 127305575 573798331 /nfs/dbraw/zinc/79/83/31/573798331.db2.gz XUUSTGDCRWRRTI-SECBINFHSA-N 2 2 186.299 0.489 10 0 ACAELP C[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C 308746936 573798335 /nfs/dbraw/zinc/79/83/35/573798335.db2.gz RSANLGSGYJXWJD-WCABBAIRSA-N 2 2 198.310 0.440 10 0 ACAELP CCCCN1CC[N@H+](C)C[C@@H]1C[NH2+]C 259190216 573798403 /nfs/dbraw/zinc/79/84/03/573798403.db2.gz MGNMSFGVKBJJKY-NSHDSACASA-N 2 2 199.342 0.622 10 0 ACAELP CCCCN1CC[N@@H+](C)C[C@@H]1C[NH2+]C 259190216 573798407 /nfs/dbraw/zinc/79/84/07/573798407.db2.gz MGNMSFGVKBJJKY-NSHDSACASA-N 2 2 199.342 0.622 10 0 ACAELP C[NH2+][C@@H](c1ccc(C)o1)[C@@H](O)C[NH3+] 259571847 573798439 /nfs/dbraw/zinc/79/84/39/573798439.db2.gz WSVWJZDWVPAQJV-IONNQARKSA-N 2 2 184.239 0.168 10 0 ACAELP CCC(CC)[NH2+]CC[NH2+]C[C@H](C)O 127307819 573798573 /nfs/dbraw/zinc/79/85/73/573798573.db2.gz XGIZYEUMEVCRCR-VIFPVBQESA-N 2 2 188.315 0.735 10 0 ACAELP [NH3+][C@H](C1CCCC1)[C@@H]1COCC[NH2+]1 259188912 573798711 /nfs/dbraw/zinc/79/87/11/573798711.db2.gz CZDLSCTVSTXARZ-VHSXEESVSA-N 2 2 184.283 0.492 10 0 ACAELP C[N@H+](C1CCC1)[C@@H](C[NH3+])[C@@H]1CCCO1 127226341 573798687 /nfs/dbraw/zinc/79/86/87/573798687.db2.gz KTEOADDLHSTHSV-QWRGUYRKSA-N 2 2 198.310 0.977 10 0 ACAELP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)C1 84224359 573798744 /nfs/dbraw/zinc/79/87/44/573798744.db2.gz IDBTUZLYLBNBLD-DCAQKATOSA-N 2 2 198.310 0.441 10 0 ACAELP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)C1 84224359 573798747 /nfs/dbraw/zinc/79/87/47/573798747.db2.gz IDBTUZLYLBNBLD-DCAQKATOSA-N 2 2 198.310 0.441 10 0 ACAELP C[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C 308746935 573799600 /nfs/dbraw/zinc/79/96/00/573799600.db2.gz RSANLGSGYJXWJD-QXEWZRGKSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@]([NH3+])(CO)c1ccn2cc[nH+]c2c1 238514619 573802035 /nfs/dbraw/zinc/80/20/35/573802035.db2.gz CIJPZDZIOWAGKU-JTQLQIEISA-N 2 2 191.234 0.501 10 0 ACAELP C[N@@H+]1CC[C@]2(C[NH2+]CCC(=O)C2)C1 84234497 573802891 /nfs/dbraw/zinc/80/28/91/573802891.db2.gz LRIFCKPUAGAUOR-JTQLQIEISA-N 2 2 182.267 0.261 10 0 ACAELP C[N@H+]1CC[C@]2(C[NH2+]CCC(=O)C2)C1 84234497 573802895 /nfs/dbraw/zinc/80/28/95/573802895.db2.gz LRIFCKPUAGAUOR-JTQLQIEISA-N 2 2 182.267 0.261 10 0 ACAELP OCCCC[NH2+][C@H]1C[NH+]2CCC1CC2 43445414 573805512 /nfs/dbraw/zinc/80/55/12/573805512.db2.gz DFWVDQIIDZMYCO-NSHDSACASA-N 2 2 198.310 0.443 10 0 ACAELP Cc1[nH+]cc(CO)c(C2C[NH2+]C2)c1O 238515971 573805765 /nfs/dbraw/zinc/80/57/65/573805765.db2.gz RCJISBNPRYMQKN-UHFFFAOYSA-N 2 2 194.234 0.275 10 0 ACAELP C[N@@H+](CC1CCC1)C[C@H](N)C[NH3+] 258956077 573808586 /nfs/dbraw/zinc/80/85/86/573808586.db2.gz KRSGKHODBGDKOV-SECBINFHSA-N 2 2 171.288 0.004 10 0 ACAELP C[N@H+](CC1CCC1)C[C@H](N)C[NH3+] 258956077 573808593 /nfs/dbraw/zinc/80/85/93/573808593.db2.gz KRSGKHODBGDKOV-SECBINFHSA-N 2 2 171.288 0.004 10 0 ACAELP C[N@@H+]1CCC[C@@](O)(C(F)(F)C[NH3+])C1 257879386 573809103 /nfs/dbraw/zinc/80/91/03/573809103.db2.gz VEIMIYWNRVZFNR-ZETCQYMHSA-N 2 2 194.225 0.037 10 0 ACAELP Cc1ccc([C@H]([NH3+])N2CC[NH2+]CC2)o1 259196093 573808868 /nfs/dbraw/zinc/80/88/68/573808868.db2.gz DFTJWIYEDYNAPL-SNVBAGLBSA-N 2 2 195.266 0.451 10 0 ACAELP C[N@H+]1CCC[C@@](O)(C(F)(F)C[NH3+])C1 257879386 573809109 /nfs/dbraw/zinc/80/91/09/573809109.db2.gz VEIMIYWNRVZFNR-ZETCQYMHSA-N 2 2 194.225 0.037 10 0 ACAELP C[N@@H+]1CCC[C@](O)(C(F)(F)C[NH3+])C1 257879384 573811536 /nfs/dbraw/zinc/81/15/36/573811536.db2.gz VEIMIYWNRVZFNR-SSDOTTSWSA-N 2 2 194.225 0.037 10 0 ACAELP C[N@H+]1CCC[C@](O)(C(F)(F)C[NH3+])C1 257879384 573811541 /nfs/dbraw/zinc/81/15/41/573811541.db2.gz VEIMIYWNRVZFNR-SSDOTTSWSA-N 2 2 194.225 0.037 10 0 ACAELP COCCc1cn2c([nH+]1)C[C@@H]([NH3+])CC2 258140158 573813697 /nfs/dbraw/zinc/81/36/97/573813697.db2.gz DAQFLMXUCDXFQE-QMMMGPOBSA-N 2 2 195.266 0.346 10 0 ACAELP Cn1cnc2cc([C@@H]([NH3+])C[NH3+])ccc21 258960919 573812948 /nfs/dbraw/zinc/81/29/48/573812948.db2.gz CAVXFBRSOMUSKW-QMMMGPOBSA-N 2 2 190.250 0.532 10 0 ACAELP Cn1cnc2cc([C@H]([NH3+])C[NH3+])ccc21 258960916 573813345 /nfs/dbraw/zinc/81/33/45/573813345.db2.gz CAVXFBRSOMUSKW-MRVPVSSYSA-N 2 2 190.250 0.532 10 0 ACAELP C[C@@H]([NH3+])[C@@H](CO)[N@H+](C)C1CCC1 127348742 573813363 /nfs/dbraw/zinc/81/33/63/573813363.db2.gz OAICQFZXMFVLLO-VXNVDRBHSA-N 2 2 172.272 0.179 10 0 ACAELP C[C@@H]([NH3+])[C@@H](CO)[N@@H+](C)C1CCC1 127348742 573813364 /nfs/dbraw/zinc/81/33/64/573813364.db2.gz OAICQFZXMFVLLO-VXNVDRBHSA-N 2 2 172.272 0.179 10 0 ACAELP C[N@H+](CCC(C)(C)C)C[C@H](N)C[NH3+] 259199704 573814737 /nfs/dbraw/zinc/81/47/37/573814737.db2.gz WUMWLNZJBMDKRV-SECBINFHSA-N 2 2 187.331 0.640 10 0 ACAELP C[N@@H+](CCC(C)(C)C)C[C@H](N)C[NH3+] 259199704 573814744 /nfs/dbraw/zinc/81/47/44/573814744.db2.gz WUMWLNZJBMDKRV-SECBINFHSA-N 2 2 187.331 0.640 10 0 ACAELP [NH3+]CC1C[NH+](Cc2cccc(O)c2)C1 87183499 573814920 /nfs/dbraw/zinc/81/49/20/573814920.db2.gz CSMUUMMHNAEKFD-UHFFFAOYSA-N 2 2 192.262 0.783 10 0 ACAELP C[N@@H+]1CCC[C@H]1c1ncc(C[NH3+])o1 258139503 573814952 /nfs/dbraw/zinc/81/49/52/573814952.db2.gz PSTKKOJHZMJFJB-QMMMGPOBSA-N 2 2 181.239 0.900 10 0 ACAELP C[N@H+]1CCC[C@H]1c1ncc(C[NH3+])o1 258139503 573814957 /nfs/dbraw/zinc/81/49/57/573814957.db2.gz PSTKKOJHZMJFJB-QMMMGPOBSA-N 2 2 181.239 0.900 10 0 ACAELP C[C@H]([NH3+])[C@H](CO)[N@H+](C)C1CCC1 127349013 573815112 /nfs/dbraw/zinc/81/51/12/573815112.db2.gz OAICQFZXMFVLLO-CBAPKCEASA-N 2 2 172.272 0.179 10 0 ACAELP C[C@H]([NH3+])[C@H](CO)[N@@H+](C)C1CCC1 127349013 573815118 /nfs/dbraw/zinc/81/51/18/573815118.db2.gz OAICQFZXMFVLLO-CBAPKCEASA-N 2 2 172.272 0.179 10 0 ACAELP CC(C)[C@@H](CO)[NH2+]CC[NH+](C)C 41049669 573815298 /nfs/dbraw/zinc/81/52/98/573815298.db2.gz UHWDMYGMIYKESY-SECBINFHSA-N 2 2 174.288 0.155 10 0 ACAELP [NH3+][C@H](C[NH2+]C1CC1)c1cccnc1 258144768 573815299 /nfs/dbraw/zinc/81/52/99/573815299.db2.gz MPTNPMUWCSUWLK-SNVBAGLBSA-N 2 2 177.251 0.833 10 0 ACAELP CN(C[C@H]([NH3+])C[NH3+])c1cccc(F)c1 258961187 573815517 /nfs/dbraw/zinc/81/55/17/573815517.db2.gz KZTJBYJBKNUVMR-SECBINFHSA-N 2 2 197.257 0.548 10 0 ACAELP CN(C[C@@H]([NH3+])C[NH3+])c1cccc(F)c1 258961192 573815860 /nfs/dbraw/zinc/81/58/60/573815860.db2.gz KZTJBYJBKNUVMR-VIFPVBQESA-N 2 2 197.257 0.548 10 0 ACAELP C[C@@H]([NH3+])[C@H](CO)[N@H+](C)C1CCC1 127349245 573816293 /nfs/dbraw/zinc/81/62/93/573816293.db2.gz OAICQFZXMFVLLO-APPZFPTMSA-N 2 2 172.272 0.179 10 0 ACAELP C[N@@H+]1CCC[C@@H]1c1ncc(C[NH3+])o1 258139499 573816296 /nfs/dbraw/zinc/81/62/96/573816296.db2.gz PSTKKOJHZMJFJB-MRVPVSSYSA-N 2 2 181.239 0.900 10 0 ACAELP C[C@@H]([NH3+])[C@H](CO)[N@@H+](C)C1CCC1 127349245 573816300 /nfs/dbraw/zinc/81/63/00/573816300.db2.gz OAICQFZXMFVLLO-APPZFPTMSA-N 2 2 172.272 0.179 10 0 ACAELP C[N@H+]1CCC[C@@H]1c1ncc(C[NH3+])o1 258139499 573816304 /nfs/dbraw/zinc/81/63/04/573816304.db2.gz PSTKKOJHZMJFJB-MRVPVSSYSA-N 2 2 181.239 0.900 10 0 ACAELP C[NH2+]C[NH2+]CCc1cccnc1 258961311 573816313 /nfs/dbraw/zinc/81/63/13/573816313.db2.gz VXPLVMXMRLJOBP-UHFFFAOYSA-N 2 2 165.240 0.391 10 0 ACAELP Cc1[nH]c(C[NH2+]C2COC2)c[nH+]1 87194971 573816520 /nfs/dbraw/zinc/81/65/20/573816520.db2.gz XACNXFLNQOKWII-UHFFFAOYSA-N 2 2 167.212 0.207 10 0 ACAELP C[NH2+]C[C@H]([NH3+])c1ccc(O)cc1 258433137 573816531 /nfs/dbraw/zinc/81/65/31/573816531.db2.gz WPQUEEPSKDSCLU-VIFPVBQESA-N 2 2 166.224 0.611 10 0 ACAELP CN(C[NH3+])c1ccc2c(c1)[nH+]cn2C 258963169 573816618 /nfs/dbraw/zinc/81/66/18/573816618.db2.gz WCPVERDKZOTEEA-UHFFFAOYSA-N 2 2 190.250 0.926 10 0 ACAELP CC(C)[C@H](CO)[NH2+]CC[NH+](C)C 41049670 573816733 /nfs/dbraw/zinc/81/67/33/573816733.db2.gz UHWDMYGMIYKESY-VIFPVBQESA-N 2 2 174.288 0.155 10 0 ACAELP Cc1noc(NC(=[NH2+])NC(N)=[NH2+])c1C 238530432 573816843 /nfs/dbraw/zinc/81/68/43/573816843.db2.gz RAOGSCAYKBFCKM-UHFFFAOYSA-N 2 2 196.214 0.121 10 0 ACAELP C[NH2+][C@@H](CCO)C[N@H+](C)C1CCC1 127359540 573817375 /nfs/dbraw/zinc/81/73/75/573817375.db2.gz XXRQDRYLEZZOOS-VIFPVBQESA-N 2 2 186.299 0.441 10 0 ACAELP c1[nH+]c(C2C[NH2+]C2)n2c1CCCC2 257880031 573816921 /nfs/dbraw/zinc/81/69/21/573816921.db2.gz LUSGUFOMBGNYHZ-UHFFFAOYSA-N 2 2 177.251 0.906 10 0 ACAELP CC(=O)C[NH2+]C1CC[NH+](C)CC1 258961269 573817193 /nfs/dbraw/zinc/81/71/93/573817193.db2.gz SUJXOZKKFAUFJU-UHFFFAOYSA-N 2 2 170.256 0.259 10 0 ACAELP C[NH2+][C@@H](CCO)C[N@@H+](C)C1CCC1 127359540 573817383 /nfs/dbraw/zinc/81/73/83/573817383.db2.gz XXRQDRYLEZZOOS-VIFPVBQESA-N 2 2 186.299 0.441 10 0 ACAELP CC[NH2+]C[C@]1(F)CCC[NH2+]C1 258515123 573821891 /nfs/dbraw/zinc/82/18/91/573821891.db2.gz LTRBKRBPMQVANJ-MRVPVSSYSA-N 2 2 160.236 0.688 10 0 ACAELP C[C@H]1C[C@@H]([NH2+]C2COC2)[C@H](C)C[N@@H+]1C 87194604 573818106 /nfs/dbraw/zinc/81/81/06/573818106.db2.gz SHBDIRAKKXTFMT-WCABBAIRSA-N 2 2 198.310 0.704 10 0 ACAELP C[C@H]1C[C@@H]([NH2+]C2COC2)[C@H](C)C[N@H+]1C 87194604 573818110 /nfs/dbraw/zinc/81/81/10/573818110.db2.gz SHBDIRAKKXTFMT-WCABBAIRSA-N 2 2 198.310 0.704 10 0 ACAELP c1cn(CC[NH2+]C2CC[NH2+]CC2)c[nH+]1 41050980 573818154 /nfs/dbraw/zinc/81/81/54/573818154.db2.gz DVLMMWJXJSGTIP-UHFFFAOYSA-N 3 2 194.282 0.225 10 0 ACAELP C[NH+](C)CC[NH2+][C@H](CO)C(C)(C)C 41052002 573818198 /nfs/dbraw/zinc/81/81/98/573818198.db2.gz PBTXXRZUOYSEQZ-SECBINFHSA-N 2 2 188.315 0.545 10 0 ACAELP Cc1ccc([C@@H]([NH3+])C2(C[NH3+])COC2)o1 259200496 573818306 /nfs/dbraw/zinc/81/83/06/573818306.db2.gz DKGXNLJSSOBVDB-SECBINFHSA-N 2 2 196.250 0.563 10 0 ACAELP Cc1cc([C@H]([NH3+])C[NH3+])c(N)cc1F 238523104 573818320 /nfs/dbraw/zinc/81/83/20/573818320.db2.gz NMNWEJDRFBERDO-SECBINFHSA-N 2 2 183.230 0.675 10 0 ACAELP Cc1[nH+]c[nH]c1C[NH2+]C1COC1 87194962 573818620 /nfs/dbraw/zinc/81/86/20/573818620.db2.gz VXUHLSRDRFIKTK-UHFFFAOYSA-N 2 2 167.212 0.207 10 0 ACAELP c1cn(CC[NH2+]C[C@@H]2CCOC2)c[nH+]1 41050926 573820448 /nfs/dbraw/zinc/82/04/48/573820448.db2.gz GWCCUJACEBRJHF-JTQLQIEISA-N 2 2 195.266 0.509 10 0 ACAELP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1COC1 87194601 573819813 /nfs/dbraw/zinc/81/98/13/573819813.db2.gz SHBDIRAKKXTFMT-KKZNHRDASA-N 2 2 198.310 0.704 10 0 ACAELP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1COC1 87194601 573819818 /nfs/dbraw/zinc/81/98/18/573819818.db2.gz SHBDIRAKKXTFMT-KKZNHRDASA-N 2 2 198.310 0.704 10 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/nfs/dbraw/zinc/82/04/62/573820462.db2.gz JSMPRZODGAIHDS-NXEZZACHSA-N 2 2 188.315 0.545 10 0 ACAELP CC[NH+]1CC(N[C@H](C)[C@@H]2CC[NH2+]C2)C1 400418574 573824299 /nfs/dbraw/zinc/82/42/99/573824299.db2.gz WAMVBDRAZZJUMF-NXEZZACHSA-N 2 2 197.326 0.278 10 0 ACAELP C[C@@H]([NH3+])CN1CCc2[nH+]cccc21 258147416 573821503 /nfs/dbraw/zinc/82/15/03/573821503.db2.gz OZEHPZUHYWPFJJ-MRVPVSSYSA-N 2 2 177.251 0.791 10 0 ACAELP Cc1cc([C@H]([NH3+])C[NH3+])cc(O)c1N 238523299 573821507 /nfs/dbraw/zinc/82/15/07/573821507.db2.gz XAWSLUSBKJTVBR-SSDOTTSWSA-N 2 2 181.239 0.241 10 0 ACAELP Cc1cc([C@H]([NH3+])C[NH3+])c(C)cc1N 238523027 573822005 /nfs/dbraw/zinc/82/20/05/573822005.db2.gz HXDNSPZHWCPQLY-SNVBAGLBSA-N 2 2 179.267 0.844 10 0 ACAELP CC(C)[N@H+](CC[NH3+])C[C@@H]1CCCO1 41056282 573824264 /nfs/dbraw/zinc/82/42/64/573824264.db2.gz TZIAYWLSFHUYLQ-JTQLQIEISA-N 2 2 186.299 0.835 10 0 ACAELP CC(C)[N@@H+](CC[NH3+])C[C@@H]1CCCO1 41056282 573824271 /nfs/dbraw/zinc/82/42/71/573824271.db2.gz TZIAYWLSFHUYLQ-JTQLQIEISA-N 2 2 186.299 0.835 10 0 ACAELP Oc1ccn2c(C3C[NH2+]C3)[nH+]cc2c1 257884512 573827861 /nfs/dbraw/zinc/82/78/61/573827861.db2.gz VYWSOQAHIIRYKR-UHFFFAOYSA-N 2 2 189.218 0.727 10 0 ACAELP CCC[N@H+](CC[NH3+])C[C@@H]1CCCO1 41056619 573828051 /nfs/dbraw/zinc/82/80/51/573828051.db2.gz UDWJOJVKKYYRNU-JTQLQIEISA-N 2 2 186.299 0.836 10 0 ACAELP CCC[N@@H+](CC[NH3+])C[C@@H]1CCCO1 41056619 573828054 /nfs/dbraw/zinc/82/80/54/573828054.db2.gz UDWJOJVKKYYRNU-JTQLQIEISA-N 2 2 186.299 0.836 10 0 ACAELP CCCC[C@H](CO)[NH2+]CC[NH+](C)C 41053561 573828274 /nfs/dbraw/zinc/82/82/74/573828274.db2.gz JJDPFLVZUKXLGZ-SNVBAGLBSA-N 2 2 188.315 0.689 10 0 ACAELP CC[C@H]1COCC[N@@H+]1[C@@H](C)[C@@H](C)[NH3+] 41053867 573828650 /nfs/dbraw/zinc/82/86/50/573828650.db2.gz YREMWDQBUKZFNA-UTLUCORTSA-N 2 2 186.299 0.833 10 0 ACAELP CC[C@H]1COCC[N@H+]1[C@@H](C)[C@@H](C)[NH3+] 41053867 573828655 /nfs/dbraw/zinc/82/86/55/573828655.db2.gz YREMWDQBUKZFNA-UTLUCORTSA-N 2 2 186.299 0.833 10 0 ACAELP CCCC[C@@H](CO)[NH2+]CC[NH+](C)C 41053560 573828827 /nfs/dbraw/zinc/82/88/27/573828827.db2.gz JJDPFLVZUKXLGZ-JTQLQIEISA-N 2 2 188.315 0.689 10 0 ACAELP Cc1cccc(N)c1[C@H]([NH3+])C[NH3+] 238531534 573828916 /nfs/dbraw/zinc/82/89/16/573828916.db2.gz NEDVINWJCOZBGL-MRVPVSSYSA-N 2 2 165.240 0.536 10 0 ACAELP [NH3+][C@H](c1cc[nH]c1)[C@@H]1C[NH2+]CCO1 259573345 573829065 /nfs/dbraw/zinc/82/90/65/573829065.db2.gz VTETWINPPHAHKZ-DTWKUNHWSA-N 2 2 181.239 0.003 10 0 ACAELP C[C@H](C[NH3+])CC[NH2+][C@@H]1CC[N@@H+](C)C1 258966437 573834424 /nfs/dbraw/zinc/83/44/24/573834424.db2.gz SXIWSNPIMGSXQM-VHSXEESVSA-N 3 2 185.315 0.265 10 0 ACAELP [NH3+][C@H](C[NH2+]C1CC1)c1cc[nH]c1 259206989 573833326 /nfs/dbraw/zinc/83/33/26/573833326.db2.gz GGJJBAQRCLKCJL-SECBINFHSA-N 2 2 165.240 0.767 10 0 ACAELP C[NH2+]C[C@H](C)[NH2+]CC(C)(C)F 393652893 573834135 /nfs/dbraw/zinc/83/41/35/573834135.db2.gz RASNFFLVIHURKF-ZETCQYMHSA-N 2 2 162.252 0.932 10 0 ACAELP CC[C@@H](C(N)=[NH2+])[NH+]1CCC(OC)CC1 43540961 573832650 /nfs/dbraw/zinc/83/26/50/573832650.db2.gz YMYLDZNFDVREPV-VIFPVBQESA-N 2 2 199.298 0.812 10 0 ACAELP C[NH+]1CC(n2nccc2C2([NH3+])CC2)C1 257885312 573832696 /nfs/dbraw/zinc/83/26/96/573832696.db2.gz WDIQRFRQARKIIF-UHFFFAOYSA-N 2 2 192.266 0.317 10 0 ACAELP C[NH+](C)CC1=CCC[N@@H+](C)C1 258143866 573833227 /nfs/dbraw/zinc/83/32/27/573833227.db2.gz QORNUEBFOHCYEM-UHFFFAOYSA-N 2 2 154.257 0.810 10 0 ACAELP C[NH+](C)CC1=CCC[N@H+](C)C1 258143866 573833222 /nfs/dbraw/zinc/83/32/22/573833222.db2.gz QORNUEBFOHCYEM-UHFFFAOYSA-N 2 2 154.257 0.810 10 0 ACAELP F[C@@]1(C[NH2+][C@@H]2CCOC2)CC[NH2+]C1 257886589 573834202 /nfs/dbraw/zinc/83/42/02/573834202.db2.gz WJNXCVZLNVACLI-BDAKNGLRSA-N 2 2 188.246 0.067 10 0 ACAELP C[C@H](C[NH3+])CC[NH2+][C@@H]1CC[N@H+](C)C1 258966437 573834416 /nfs/dbraw/zinc/83/44/16/573834416.db2.gz SXIWSNPIMGSXQM-VHSXEESVSA-N 3 2 185.315 0.265 10 0 ACAELP C[NH2+][C@H](C(C)=O)[C@H]1CC[N@H+](C)C1 259207257 573834370 /nfs/dbraw/zinc/83/43/70/573834370.db2.gz FPSOVLBUJOZCOD-DTWKUNHWSA-N 2 2 170.256 0.115 10 0 ACAELP C[NH2+][C@H](C(C)=O)[C@H]1CC[N@@H+](C)C1 259207257 573834375 /nfs/dbraw/zinc/83/43/75/573834375.db2.gz FPSOVLBUJOZCOD-DTWKUNHWSA-N 2 2 170.256 0.115 10 0 ACAELP C[NH2+]C[C@@H](C)[NH2+]CC(C)(C)F 393652892 573836242 /nfs/dbraw/zinc/83/62/42/573836242.db2.gz RASNFFLVIHURKF-SSDOTTSWSA-N 2 2 162.252 0.932 10 0 ACAELP CC(C)[N@H+](CCCO)[C@@H](C)C(N)=[NH2+] 43528691 573836215 /nfs/dbraw/zinc/83/62/15/573836215.db2.gz UPNFETBSWOTMBO-QMMMGPOBSA-N 2 2 187.287 0.404 10 0 ACAELP CC(C)[N@@H+](CCCO)[C@@H](C)C(N)=[NH2+] 43528691 573836219 /nfs/dbraw/zinc/83/62/19/573836219.db2.gz UPNFETBSWOTMBO-QMMMGPOBSA-N 2 2 187.287 0.404 10 0 ACAELP C[NH2+][C@H](C1CCCC1)[C@H]1C[NH2+]CCO1 259575351 573836366 /nfs/dbraw/zinc/83/63/66/573836366.db2.gz WXXAWZVXMJWITB-GHMZBOCLSA-N 2 2 198.310 0.753 10 0 ACAELP Cc1cnc(NC(=[NH2+])NC(N)=[NH2+])s1 238532341 573836445 /nfs/dbraw/zinc/83/64/45/573836445.db2.gz ZIWYUMZRDBQVHL-UHFFFAOYSA-N 2 2 198.255 0.281 10 0 ACAELP C[NH2+][C@@H](C1CCCC1)[C@@H]1C[NH2+]CCO1 259575357 573837072 /nfs/dbraw/zinc/83/70/72/573837072.db2.gz WXXAWZVXMJWITB-QWRGUYRKSA-N 2 2 198.310 0.753 10 0 ACAELP F[C@]1(C[NH2+][C@H]2CCOC2)CC[NH2+]C1 257886592 573837135 /nfs/dbraw/zinc/83/71/35/573837135.db2.gz WJNXCVZLNVACLI-DTWKUNHWSA-N 2 2 188.246 0.067 10 0 ACAELP CC[C@@](C)(C[NH3+])NCc1cn(C)c[nH+]1 308449504 573838334 /nfs/dbraw/zinc/83/83/34/573838334.db2.gz BTTUIXHFOUESFT-JTQLQIEISA-N 2 2 196.298 0.637 10 0 ACAELP CC[C@@](C)(C[NH3+])[NH2+]Cc1cn(C)cn1 308449504 573838338 /nfs/dbraw/zinc/83/83/38/573838338.db2.gz BTTUIXHFOUESFT-JTQLQIEISA-N 2 2 196.298 0.637 10 0 ACAELP [NH3+]Cc1ccn2cc(CCO)[nH+]c2c1 257886946 573838405 /nfs/dbraw/zinc/83/84/05/573838405.db2.gz DDNCMELVOCSDAQ-UHFFFAOYSA-N 2 2 191.234 0.328 10 0 ACAELP C[C@@H]([NH3+])CCC[NH2+][C@H]1CC[N@H+](C)C1 258968275 573839531 /nfs/dbraw/zinc/83/95/31/573839531.db2.gz SYXVQLRQUPWFDK-ZJUUUORDSA-N 3 2 185.315 0.408 10 0 ACAELP C[C@@H]([NH3+])CCC[NH2+][C@H]1CC[N@@H+](C)C1 258968275 573839535 /nfs/dbraw/zinc/83/95/35/573839535.db2.gz SYXVQLRQUPWFDK-ZJUUUORDSA-N 3 2 185.315 0.408 10 0 ACAELP [NH3+]C[C@@H]([NH3+])CNc1ccc(F)cc1 258968883 573839549 /nfs/dbraw/zinc/83/95/49/573839549.db2.gz NLWRSMHDMYRVEY-MRVPVSSYSA-N 2 2 183.230 0.524 10 0 ACAELP C[C@H]1[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCO1 84345209 573839625 /nfs/dbraw/zinc/83/96/25/573839625.db2.gz RNZUEBVGPOLYFE-LPEHRKFASA-N 2 2 184.283 0.587 10 0 ACAELP C[C@H]1[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCCO1 84345209 573839632 /nfs/dbraw/zinc/83/96/32/573839632.db2.gz RNZUEBVGPOLYFE-LPEHRKFASA-N 2 2 184.283 0.587 10 0 ACAELP [NH3+]CCCCNc1ccc(CO)c[nH+]1 686065367 573840645 /nfs/dbraw/zinc/84/06/45/573840645.db2.gz MJECETCDWHOLQM-UHFFFAOYSA-N 2 2 195.266 0.725 10 0 ACAELP C[C@]1([C@@H]([NH3+])Cc2[nH]cc[nH+]2)CCCO1 87229864 573840710 /nfs/dbraw/zinc/84/07/10/573840710.db2.gz YBNAIYGRCLOWNI-WCBMZHEXSA-N 2 2 195.266 0.849 10 0 ACAELP C[C@]1([C@H]([NH3+])Cc2[nH]cc[nH+]2)CCCO1 87229862 573840920 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/nfs/dbraw/zinc/84/12/28/573841228.db2.gz PGCIBCLFVGZMRI-RKDXNWHRSA-N 2 2 199.298 0.064 10 0 ACAELP CCC[C@H](CCO)[NH2+]CC[NH+](C)C 716809146 573842686 /nfs/dbraw/zinc/84/26/86/573842686.db2.gz CROCRHVSVHTCEY-SNVBAGLBSA-N 2 2 188.315 0.689 10 0 ACAELP C[NH+](C)CC1=CC[N@H+](C)C1 258150424 573843051 /nfs/dbraw/zinc/84/30/51/573843051.db2.gz QZYLQFWOKDEUBH-UHFFFAOYSA-N 2 2 140.230 0.420 10 0 ACAELP C[NH+](C)CC1=CC[N@@H+](C)C1 258150424 573843058 /nfs/dbraw/zinc/84/30/58/573843058.db2.gz QZYLQFWOKDEUBH-UHFFFAOYSA-N 2 2 140.230 0.420 10 0 ACAELP Cc1ccc(C[NH2+]C[C@H]([NH3+])CO)cc1 258968604 573843083 /nfs/dbraw/zinc/84/30/83/573843083.db2.gz NJIKAKVKSZUWQO-NSHDSACASA-N 2 2 194.278 0.404 10 0 ACAELP C[C@H]([NH3+])CCC[NH2+][C@@H]1CC[N@H+](C)C1 258968272 573843635 /nfs/dbraw/zinc/84/36/35/573843635.db2.gz SYXVQLRQUPWFDK-VHSXEESVSA-N 3 2 185.315 0.408 10 0 ACAELP C[C@H]([NH3+])CCC[NH2+][C@@H]1CC[N@@H+](C)C1 258968272 573843640 /nfs/dbraw/zinc/84/36/40/573843640.db2.gz SYXVQLRQUPWFDK-VHSXEESVSA-N 3 2 185.315 0.408 10 0 ACAELP C[NH+](C)CCCOc1cc(N)cc[nH+]1 43569633 573843646 /nfs/dbraw/zinc/84/36/46/573843646.db2.gz SVCREBKYDRRROX-UHFFFAOYSA-N 2 2 195.266 0.994 10 0 ACAELP COC[C@@H](C[NH3+])[NH2+]C1C2(CC2)C12CC2 715356940 573843794 /nfs/dbraw/zinc/84/37/94/573843794.db2.gz SIIKDBBGURWLQW-MRVPVSSYSA-N 2 2 196.294 0.492 10 0 ACAELP CC[C@H]1CC[NH2+][C@H](C2(O)C[NH2+]C2)C1 84351396 573845654 /nfs/dbraw/zinc/84/56/54/573845654.db2.gz JMJMYMITHWWXLO-IUCAKERBSA-N 2 2 184.283 0.099 10 0 ACAELP C[NH2+][C@H](C(C)=O)[C@@H]1CCC[N@H+](C)C1 259209950 573845035 /nfs/dbraw/zinc/84/50/35/573845035.db2.gz FTVZOTWXAMJECV-NXEZZACHSA-N 2 2 184.283 0.505 10 0 ACAELP C[NH2+][C@H](C(C)=O)[C@@H]1CCC[N@@H+](C)C1 259209950 573845039 /nfs/dbraw/zinc/84/50/39/573845039.db2.gz FTVZOTWXAMJECV-NXEZZACHSA-N 2 2 184.283 0.505 10 0 ACAELP Cc1cc(N2CC(C)([NH3+])C2)nc[nH+]1 84354209 573845501 /nfs/dbraw/zinc/84/55/01/573845501.db2.gz BMAPBDOWQWOARM-UHFFFAOYSA-N 2 2 178.239 0.322 10 0 ACAELP OC1([C@@H]2[NH2+]Cc3ccccc32)C[NH2+]C1 84351449 573845566 /nfs/dbraw/zinc/84/55/66/573845566.db2.gz YLAKQTJVTUNWNF-SNVBAGLBSA-N 2 2 190.246 0.165 10 0 ACAELP OC1([C@H]2[NH2+]Cc3ccccc32)C[NH2+]C1 84351447 573848180 /nfs/dbraw/zinc/84/81/80/573848180.db2.gz YLAKQTJVTUNWNF-JTQLQIEISA-N 2 2 190.246 0.165 10 0 ACAELP CC[C@H](C)[NH2+]CC[NH2+]C[C@@H](C)OC 224302788 573848330 /nfs/dbraw/zinc/84/83/30/573848330.db2.gz GXYIGJOYTZPJRR-VHSXEESVSA-N 2 2 188.315 0.999 10 0 ACAELP COCCCC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 131349577 573848768 /nfs/dbraw/zinc/84/87/68/573848768.db2.gz FWDRCGZDDUXHJA-WDEREUQCSA-N 2 2 198.310 0.707 10 0 ACAELP COCCCC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 131349577 573848762 /nfs/dbraw/zinc/84/87/62/573848762.db2.gz FWDRCGZDDUXHJA-WDEREUQCSA-N 2 2 198.310 0.707 10 0 ACAELP COCC[N@H+](C(C)C)[C@@H](C)C(N)=[NH2+] 131329067 573848820 /nfs/dbraw/zinc/84/88/20/573848820.db2.gz VTWSGIHWMSDYQX-QMMMGPOBSA-N 2 2 187.287 0.668 10 0 ACAELP COCC[N@@H+](C(C)C)[C@@H](C)C(N)=[NH2+] 131329067 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2 186.299 0.705 10 0 ACAELP Cc1ccsc1NC[C@H]([NH3+])C[NH3+] 258979074 573871909 /nfs/dbraw/zinc/87/19/09/573871909.db2.gz LVFWEDSZCNXUGC-SSDOTTSWSA-N 2 2 185.296 0.754 10 0 ACAELP CC[NH2+][C@@H](C)C[N@H+](CC)CCOC 43968651 573873519 /nfs/dbraw/zinc/87/35/19/573873519.db2.gz KKAAQYUKZBERHZ-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP CC[NH2+][C@@H](C)C[N@@H+](CC)CCOC 43968651 573873526 /nfs/dbraw/zinc/87/35/26/573873526.db2.gz KKAAQYUKZBERHZ-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP CC(C)[N@H+](C)[C@]1(C[NH3+])CO[C@@H](C)C1 401473819 573873610 /nfs/dbraw/zinc/87/36/10/573873610.db2.gz QGHBSJHWWAJGOS-VHSXEESVSA-N 2 2 186.299 0.833 10 0 ACAELP CC(C)[N@@H+](C)[C@]1(C[NH3+])CO[C@@H](C)C1 401473819 573873616 /nfs/dbraw/zinc/87/36/16/573873616.db2.gz QGHBSJHWWAJGOS-VHSXEESVSA-N 2 2 186.299 0.833 10 0 ACAELP C[NH+]1CCC([NH2+]C(C)(C)CC[NH3+])CC1 258981702 573878761 /nfs/dbraw/zinc/87/87/61/573878761.db2.gz ZVVABHVJYGTFNH-UHFFFAOYSA-N 3 2 199.342 0.798 10 0 ACAELP [NH3+]C[NH2+]CCc1cccc(F)c1 258980435 573876711 /nfs/dbraw/zinc/87/67/11/573876711.db2.gz XZSZHPBJBXBOJB-UHFFFAOYSA-N 2 2 168.215 0.874 10 0 ACAELP CN(C)c1[nH+]cccc1NC1C[NH2+]C1 84417472 573879129 /nfs/dbraw/zinc/87/91/29/573879129.db2.gz AHKNJQIHCANYGF-UHFFFAOYSA-N 2 2 192.266 0.531 10 0 ACAELP C1=C[NH+]=C[C@H]([C@@H]2C=[NH+]C=CN2)N1 238553120 573878950 /nfs/dbraw/zinc/87/89/50/573878950.db2.gz BSJPTSMJTJYZHK-OCAPTIKFSA-N 2 2 162.196 0.014 10 0 ACAELP C[NH2+][C@@H](Cc1ccco1)C[NH+](C)C 131581219 573879976 /nfs/dbraw/zinc/87/99/76/573879976.db2.gz IUAWVZFNWDXQCC-VIFPVBQESA-N 2 2 182.267 0.972 10 0 ACAELP CC(C)[C@H]([C@H]1C[NH2+]CCO1)[NH+](C)C 259219365 573880042 /nfs/dbraw/zinc/88/00/42/573880042.db2.gz AKQJMBAYRQBQKF-NXEZZACHSA-N 2 2 186.299 0.561 10 0 ACAELP C1=C[NH+]=C[C@@H]([C@@H]2C=[NH+]C=CN2)N1 238553131 573880124 /nfs/dbraw/zinc/88/01/24/573880124.db2.gz BSJPTSMJTJYZHK-YUMQZZPRSA-N 2 2 162.196 0.014 10 0 ACAELP C[N@H+]1CCC[C@H](C[NH2+]CC2([NH3+])CC2)C1 259218821 573882898 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MCBTXZMLTUGDAV-SILCLGDVSA-N 2 2 196.294 0.336 10 0 ACAELP OC1CC([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 84422339 573882241 /nfs/dbraw/zinc/88/22/41/573882241.db2.gz MCBTXZMLTUGDAV-SILCLGDVSA-N 2 2 196.294 0.336 10 0 ACAELP [NH3+][C@@H](CO)C[NH2+]CCc1ccccc1 258984830 573882402 /nfs/dbraw/zinc/88/24/02/573882402.db2.gz OWNRGMIGYLYUKG-LLVKDONJSA-N 2 2 194.278 0.138 10 0 ACAELP Cc1ccc2c(c1)C[NH2+][C@@H](C[NH3+])C2 257892505 573882546 /nfs/dbraw/zinc/88/25/46/573882546.db2.gz NQIYCNONTVMYDY-LLVKDONJSA-N 2 2 176.263 0.968 10 0 ACAELP [NH3+][C@H](CO)C[NH2+]CCc1ccccc1 258984859 573882596 /nfs/dbraw/zinc/88/25/96/573882596.db2.gz OWNRGMIGYLYUKG-NSHDSACASA-N 2 2 194.278 0.138 10 0 ACAELP C[NH+](C)C[C@H]([NH3+])Cc1ccoc1 131580360 573882694 /nfs/dbraw/zinc/88/26/94/573882694.db2.gz HJWJBJXSPAVXDA-SECBINFHSA-N 2 2 168.240 0.711 10 0 ACAELP C[NH+](C)C[C@@H]([NH3+])Cc1ccoc1 131580561 573882819 /nfs/dbraw/zinc/88/28/19/573882819.db2.gz HJWJBJXSPAVXDA-VIFPVBQESA-N 2 2 168.240 0.711 10 0 ACAELP [NH3+]C[C@H]1CC[C@H](C[NH2+]CC(F)F)O1 147870445 573882999 /nfs/dbraw/zinc/88/29/99/573882999.db2.gz BAVOOMVXHJVYBG-RNFRBKRXSA-N 2 2 194.225 0.347 10 0 ACAELP [NH3+]CCCC12CCC[NH2+]C1[NH2+]CCC2 238555434 573885134 /nfs/dbraw/zinc/88/51/34/573885134.db2.gz KGHMATRPIIZLSP-UHFFFAOYSA-N 3 2 197.326 0.805 10 0 ACAELP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CC(O)C2)C1 84421760 573884819 /nfs/dbraw/zinc/88/48/19/573884819.db2.gz JYYRNBZWVUBYAX-KPPDAEKUSA-N 2 2 198.310 0.582 10 0 ACAELP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CC(O)C2)C1 84421760 573884826 /nfs/dbraw/zinc/88/48/26/573884826.db2.gz JYYRNBZWVUBYAX-KPPDAEKUSA-N 2 2 198.310 0.582 10 0 ACAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(O)C1 84442329 573887824 /nfs/dbraw/zinc/88/78/24/573887824.db2.gz WZFFTGUAUJARIA-HSOILSAZSA-N 2 2 198.310 0.584 10 0 ACAELP Nc1cc[nH+]cc1[C@@H]([NH3+])c1ncc[nH]1 87340586 573889273 /nfs/dbraw/zinc/88/92/73/573889273.db2.gz ZRIJWXSLIONGAK-MRVPVSSYSA-N 2 2 189.222 0.435 10 0 ACAELP [NH3+]Cc1c[nH+]c2ccc(O)cn12 258445327 573889308 /nfs/dbraw/zinc/88/93/08/573889308.db2.gz FJOVBTCGGKORQR-UHFFFAOYSA-N 2 2 163.180 0.499 10 0 ACAELP C[NH2+]C[N@H+](C)C(C)(C)C 258988228 573889313 /nfs/dbraw/zinc/88/93/13/573889313.db2.gz YUPKCWCXLMIQET-UHFFFAOYSA-N 2 2 130.235 0.894 10 0 ACAELP CCn1cc[nH+]c1-n1ccnc1C[NH3+] 87343356 573889314 /nfs/dbraw/zinc/88/93/14/573889314.db2.gz FUOCZHVAIRMXID-UHFFFAOYSA-N 2 2 191.238 0.547 10 0 ACAELP C[NH2+]C[N@@H+](C)C(C)(C)C 258988228 573889315 /nfs/dbraw/zinc/88/93/15/573889315.db2.gz YUPKCWCXLMIQET-UHFFFAOYSA-N 2 2 130.235 0.894 10 0 ACAELP Cn1cc[nH+]c1-n1ccnc1C[NH3+] 87343367 573886703 /nfs/dbraw/zinc/88/67/03/573886703.db2.gz VVHCVRZYZOWMON-UHFFFAOYSA-N 2 2 177.211 0.065 10 0 ACAELP C[C@H](CC[NH3+])Nc1ccc(CO)c[nH+]1 686065390 573888186 /nfs/dbraw/zinc/88/81/86/573888186.db2.gz NBHJKOQTXGGSPV-MRVPVSSYSA-N 2 2 195.266 0.723 10 0 ACAELP C[N@@H+]1CCC[C@@H](C[NH2+]CC2([NH3+])CC2)C1 259218819 573887414 /nfs/dbraw/zinc/88/74/14/573887414.db2.gz XROADPPAYWONSA-JTQLQIEISA-N 3 2 197.326 0.409 10 0 ACAELP C[N@H+]1CCC[C@@H](C[NH2+]CC2([NH3+])CC2)C1 259218819 573887418 /nfs/dbraw/zinc/88/74/18/573887418.db2.gz XROADPPAYWONSA-JTQLQIEISA-N 3 2 197.326 0.409 10 0 ACAELP [NH3+][C@@H]1CCCCCC[NH2+]1 80175771 573887518 /nfs/dbraw/zinc/88/75/18/573887518.db2.gz AQHSRSVNSYODKO-ZETCQYMHSA-N 2 2 128.219 0.825 10 0 ACAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(O)C1 84442329 573887823 /nfs/dbraw/zinc/88/78/23/573887823.db2.gz WZFFTGUAUJARIA-HSOILSAZSA-N 2 2 198.310 0.584 10 0 ACAELP C[N@@H+]1CC[C@]2(CF)CC[NH2+]C[C@@H]12 257893663 573887835 /nfs/dbraw/zinc/88/78/35/573887835.db2.gz NVZSANHGFRBEHQ-BDAKNGLRSA-N 2 2 172.247 0.640 10 0 ACAELP C[N@H+]1CC[C@]2(CF)CC[NH2+]C[C@@H]12 257893663 573887839 /nfs/dbraw/zinc/88/78/39/573887839.db2.gz NVZSANHGFRBEHQ-BDAKNGLRSA-N 2 2 172.247 0.640 10 0 ACAELP C[N@@H+]1CC[C@]2(CF)CC[NH2+]C[C@H]12 257893673 573888101 /nfs/dbraw/zinc/88/81/01/573888101.db2.gz NVZSANHGFRBEHQ-IUCAKERBSA-N 2 2 172.247 0.640 10 0 ACAELP C[N@H+]1CC[C@]2(CF)CC[NH2+]C[C@H]12 257893673 573888104 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XUEAVPYIYDBQQQ-DCAQKATOSA-N 3 2 197.326 0.408 10 0 ACAELP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H]([NH3+])C2)C1 257894849 573888928 /nfs/dbraw/zinc/88/89/28/573888928.db2.gz XUEAVPYIYDBQQQ-DCAQKATOSA-N 3 2 197.326 0.408 10 0 ACAELP C[NH2+][C@@H](c1cccc(F)c1)[C@H]([NH3+])CO 259223000 573892347 /nfs/dbraw/zinc/89/23/47/573892347.db2.gz GDFDRYZMFOPYII-ZJUUUORDSA-N 2 2 198.241 0.406 10 0 ACAELP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C[NH3+])C1 238180994 573891652 /nfs/dbraw/zinc/89/16/52/573891652.db2.gz HWIHPCPBUNBSIG-DTWKUNHWSA-N 3 2 171.288 0.003 10 0 ACAELP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C[NH3+])C1 238180994 573891659 /nfs/dbraw/zinc/89/16/59/573891659.db2.gz HWIHPCPBUNBSIG-DTWKUNHWSA-N 3 2 171.288 0.003 10 0 ACAELP OC1CC([NH2+][C@H]2C[NH+]3CCC2CC3)C1 84442418 573891802 /nfs/dbraw/zinc/89/18/02/573891802.db2.gz QWQHXCLXXVRJPE-ILDUYXDCSA-N 2 2 196.294 0.194 10 0 ACAELP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C1 257894847 573891875 /nfs/dbraw/zinc/89/18/75/573891875.db2.gz 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CC(C)[C@H](C)[N@H+](C)CC(N)=[NH2+] 102407379 573897504 /nfs/dbraw/zinc/89/75/04/573897504.db2.gz QNLVBZCGJWMTHK-ZETCQYMHSA-N 2 2 157.261 0.899 10 0 ACAELP Cc1ccsc1C[NH2+]C[C@H](N)C[NH3+] 258991068 573896845 /nfs/dbraw/zinc/89/68/45/573896845.db2.gz MNOBAIOAUMEZGT-MRVPVSSYSA-N 2 2 199.323 0.432 10 0 ACAELP CC(C)[C@H](C)[N@@H+](C)CC(N)=[NH2+] 102407379 573897509 /nfs/dbraw/zinc/89/75/09/573897509.db2.gz QNLVBZCGJWMTHK-ZETCQYMHSA-N 2 2 157.261 0.899 10 0 ACAELP C[C@H]1CC[N@@H+]([C@@H]2C[NH2+]C[C@@H]2C)C1 147572396 573900041 /nfs/dbraw/zinc/90/00/41/573900041.db2.gz BBSCIAHHGRSCOL-LPEHRKFASA-N 2 2 168.284 0.936 10 0 ACAELP C[C@H]1CC[N@H+]([C@@H]2C[NH2+]C[C@@H]2C)C1 147572396 573900044 /nfs/dbraw/zinc/90/00/44/573900044.db2.gz BBSCIAHHGRSCOL-LPEHRKFASA-N 2 2 168.284 0.936 10 0 ACAELP CC[NH2+]CC[N@H+](C)C[C@H]1C[C@H]1OC 689894910 573904149 /nfs/dbraw/zinc/90/41/49/573904149.db2.gz DVSXSUCXNCFUSB-NXEZZACHSA-N 2 2 186.299 0.563 10 0 ACAELP C[C@H]([NH3+])c1noc([C@H]2CCC[N@@H+]2C)n1 257904070 573904037 /nfs/dbraw/zinc/90/40/37/573904037.db2.gz DUNIPSKIEBFIGJ-NKWVEPMBSA-N 2 2 196.254 0.856 10 0 ACAELP C[C@H]([NH3+])c1noc([C@H]2CCC[N@H+]2C)n1 257904070 573904040 /nfs/dbraw/zinc/90/40/40/573904040.db2.gz DUNIPSKIEBFIGJ-NKWVEPMBSA-N 2 2 196.254 0.856 10 0 ACAELP C[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)C[NH3+])C1 258998088 573904139 /nfs/dbraw/zinc/90/41/39/573904139.db2.gz WKTFQCACQISYAS-SNVBAGLBSA-N 3 2 199.342 0.655 10 0 ACAELP C[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C[NH3+])C1 258998088 573904140 /nfs/dbraw/zinc/90/41/40/573904140.db2.gz WKTFQCACQISYAS-SNVBAGLBSA-N 3 2 199.342 0.655 10 0 ACAELP CC(C)[C@@H]1C[NH2+]CC[C@@H]2COCC[N@@H+]21 74236946 573903535 /nfs/dbraw/zinc/90/35/35/573903535.db2.gz PFOCOHJOUAHQMD-MNOVXSKESA-N 2 2 198.310 0.705 10 0 ACAELP CC(C)[C@@H]1C[NH2+]CC[C@@H]2COCC[N@H+]21 74236946 573903539 /nfs/dbraw/zinc/90/35/39/573903539.db2.gz PFOCOHJOUAHQMD-MNOVXSKESA-N 2 2 198.310 0.705 10 0 ACAELP CC[NH2+]CC[N@@H+](C)C[C@H]1C[C@H]1OC 689894910 573904153 /nfs/dbraw/zinc/90/41/53/573904153.db2.gz DVSXSUCXNCFUSB-NXEZZACHSA-N 2 2 186.299 0.563 10 0 ACAELP C[N@@H+]1CC[C@H]([C@@H](C[NH3+])c2[nH]cc[nH+]2)C1 258998956 573903854 /nfs/dbraw/zinc/90/38/54/573903854.db2.gz BHMNBQZMYDGOMX-DTWKUNHWSA-N 3 2 194.282 0.404 10 0 ACAELP C[N@H+]1CC[C@H]([C@@H](C[NH3+])c2[nH]cc[nH+]2)C1 258998956 573903860 /nfs/dbraw/zinc/90/38/60/573903860.db2.gz BHMNBQZMYDGOMX-DTWKUNHWSA-N 3 2 194.282 0.404 10 0 ACAELP C[N@@H+]1CC[C@@H]([C@H](C[NH3+])c2[nH]cc[nH+]2)C1 258998953 573905245 /nfs/dbraw/zinc/90/52/45/573905245.db2.gz BHMNBQZMYDGOMX-BDAKNGLRSA-N 3 2 194.282 0.404 10 0 ACAELP C[N@H+]1CC[C@@H]([C@H](C[NH3+])c2[nH]cc[nH+]2)C1 258998953 573905252 /nfs/dbraw/zinc/90/52/52/573905252.db2.gz BHMNBQZMYDGOMX-BDAKNGLRSA-N 3 2 194.282 0.404 10 0 ACAELP C[C@@H]([NH3+])c1noc([C@@H]2CCC[N@@H+]2C)n1 257904080 573905253 /nfs/dbraw/zinc/90/52/53/573905253.db2.gz DUNIPSKIEBFIGJ-RQJHMYQMSA-N 2 2 196.254 0.856 10 0 ACAELP C[C@@H]([NH3+])c1noc([C@@H]2CCC[N@H+]2C)n1 257904080 573905254 /nfs/dbraw/zinc/90/52/54/573905254.db2.gz DUNIPSKIEBFIGJ-RQJHMYQMSA-N 2 2 196.254 0.856 10 0 ACAELP CCC(=O)C1([NH+](C)C)CC[NH2+]CC1 238191401 573905379 /nfs/dbraw/zinc/90/53/79/573905379.db2.gz DZAGQEFPGLXNME-UHFFFAOYSA-N 2 2 184.283 0.649 10 0 ACAELP CC[NH2+]CC[N@H+](C)C[C@H]1C[C@@H]1OC 689894918 573905561 /nfs/dbraw/zinc/90/55/61/573905561.db2.gz DVSXSUCXNCFUSB-ZJUUUORDSA-N 2 2 186.299 0.563 10 0 ACAELP CC[NH2+]CC[N@@H+](C)C[C@H]1C[C@@H]1OC 689894918 573905563 /nfs/dbraw/zinc/90/55/63/573905563.db2.gz DVSXSUCXNCFUSB-ZJUUUORDSA-N 2 2 186.299 0.563 10 0 ACAELP C[C@H]([NH3+])c1noc([C@@H]2CCC[N@@H+]2C)n1 257904065 573905916 /nfs/dbraw/zinc/90/59/16/573905916.db2.gz DUNIPSKIEBFIGJ-BQBZGAKWSA-N 2 2 196.254 0.856 10 0 ACAELP C[C@H]([NH3+])c1noc([C@@H]2CCC[N@H+]2C)n1 257904065 573905919 /nfs/dbraw/zinc/90/59/19/573905919.db2.gz DUNIPSKIEBFIGJ-BQBZGAKWSA-N 2 2 196.254 0.856 10 0 ACAELP C[NH2+]Cc1c[nH+]c2ccc(N)cn12 258453240 573907708 /nfs/dbraw/zinc/90/77/08/573907708.db2.gz GGQSPLPVTHUMQK-UHFFFAOYSA-N 2 2 176.223 0.636 10 0 ACAELP C[C@@H]1CC[N@H+](C)CC(=O)[C@@H]1CC[NH3+] 76629192 573907722 /nfs/dbraw/zinc/90/77/22/573907722.db2.gz SYOKYKHUWZZADW-RKDXNWHRSA-N 2 2 184.283 0.492 10 0 ACAELP C[C@@H]1CC[N@@H+](C)CC(=O)[C@@H]1CC[NH3+] 76629192 573907725 /nfs/dbraw/zinc/90/77/25/573907725.db2.gz SYOKYKHUWZZADW-RKDXNWHRSA-N 2 2 184.283 0.492 10 0 ACAELP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC2)C1 87416087 573907741 /nfs/dbraw/zinc/90/77/41/573907741.db2.gz JMASVXXCPHSPFU-WDEREUQCSA-N 2 2 198.310 0.848 10 0 ACAELP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC2)C1 87416087 573907746 /nfs/dbraw/zinc/90/77/46/573907746.db2.gz JMASVXXCPHSPFU-WDEREUQCSA-N 2 2 198.310 0.848 10 0 ACAELP Cn1c[nH+]cc1CC(=O)[C@@H]1C[C@@H]1C[NH3+] 715192803 573907919 /nfs/dbraw/zinc/90/79/19/573907919.db2.gz DEFFZBYVVAIWFX-VXNVDRBHSA-N 2 2 193.250 0.127 10 0 ACAELP CCC[NH2+]CC[N@H+](CC)CCOC 44384314 573908097 /nfs/dbraw/zinc/90/80/97/573908097.db2.gz OVFQUBLIWYYTCY-UHFFFAOYSA-N 2 2 188.315 0.954 10 0 ACAELP CCC[NH2+]CC[N@@H+](CC)CCOC 44384314 573908100 /nfs/dbraw/zinc/90/81/00/573908100.db2.gz OVFQUBLIWYYTCY-UHFFFAOYSA-N 2 2 188.315 0.954 10 0 ACAELP CC[C@@H](O)CC[NH2+][C@H]1CC[N@H+](C)C1 131700525 573909285 /nfs/dbraw/zinc/90/92/85/573909285.db2.gz XCBDAOVEDSGAJC-VHSXEESVSA-N 2 2 186.299 0.441 10 0 ACAELP CC[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C1 131700525 573909288 /nfs/dbraw/zinc/90/92/88/573909288.db2.gz XCBDAOVEDSGAJC-VHSXEESVSA-N 2 2 186.299 0.441 10 0 ACAELP CC[N@H+](C[C@H](C)[NH2+]C)[C@@H](C)COC 44472595 573909349 /nfs/dbraw/zinc/90/93/49/573909349.db2.gz PDLJFLKPAWEOMO-UWVGGRQHSA-N 2 2 188.315 0.951 10 0 ACAELP CC[N@@H+](C[C@H](C)[NH2+]C)[C@@H](C)COC 44472595 573909353 /nfs/dbraw/zinc/90/93/53/573909353.db2.gz PDLJFLKPAWEOMO-UWVGGRQHSA-N 2 2 188.315 0.951 10 0 ACAELP CC[C@@H](O)CC[NH2+]Cc1c[nH+]c(C)[nH]1 131699178 573909446 /nfs/dbraw/zinc/90/94/46/573909446.db2.gz AVYJEQVFHKDDHJ-SNVBAGLBSA-N 2 2 197.282 0.969 10 0 ACAELP Cc1ccc2c(c1)C[C@@H](C[NH3+])[NH2+]C2 257896786 573909642 /nfs/dbraw/zinc/90/96/42/573909642.db2.gz OHWVDZBMLXVUIE-NSHDSACASA-N 2 2 176.263 0.968 10 0 ACAELP C[N@@H+]1CCC(C)(C)C[C@@H](O)[C@H]1C[NH3+] 76631919 573909729 /nfs/dbraw/zinc/90/97/29/573909729.db2.gz WDBLIJIGXUGJLW-RKDXNWHRSA-N 2 2 186.299 0.426 10 0 ACAELP C[N@H+]1CCC(C)(C)C[C@@H](O)[C@H]1C[NH3+] 76631919 573909735 /nfs/dbraw/zinc/90/97/35/573909735.db2.gz WDBLIJIGXUGJLW-RKDXNWHRSA-N 2 2 186.299 0.426 10 0 ACAELP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC2)C1 87416088 573910735 /nfs/dbraw/zinc/91/07/35/573910735.db2.gz JMASVXXCPHSPFU-GHMZBOCLSA-N 2 2 198.310 0.848 10 0 ACAELP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOC2)C1 87416088 573910738 /nfs/dbraw/zinc/91/07/38/573910738.db2.gz JMASVXXCPHSPFU-GHMZBOCLSA-N 2 2 198.310 0.848 10 0 ACAELP CC[NH2+]CC[NH2+]CCc1ccc[nH]1 259004427 573912739 /nfs/dbraw/zinc/91/27/39/573912739.db2.gz XAMLUMVLFOTDCO-UHFFFAOYSA-N 2 2 181.283 0.756 10 0 ACAELP C[N@H+](CC[C@H]1COCC[NH2+]1)C1CCC1 127555993 573911737 /nfs/dbraw/zinc/91/17/37/573911737.db2.gz URDIHMVVAAQVAZ-JTQLQIEISA-N 2 2 198.310 0.849 10 0 ACAELP C[N@@H+](CC[C@H]1COCC[NH2+]1)C1CCC1 127555993 573911739 /nfs/dbraw/zinc/91/17/39/573911739.db2.gz URDIHMVVAAQVAZ-JTQLQIEISA-N 2 2 198.310 0.849 10 0 ACAELP CN1CC[NH2+]C[C@@H]1C[N@H+](C)C1CCC1 259002615 573912056 /nfs/dbraw/zinc/91/20/56/573912056.db2.gz WQZDLACCAAFZAG-LLVKDONJSA-N 2 2 197.326 0.374 10 0 ACAELP CN1CC[NH2+]C[C@@H]1C[N@@H+](C)C1CCC1 259002615 573912061 /nfs/dbraw/zinc/91/20/61/573912061.db2.gz WQZDLACCAAFZAG-LLVKDONJSA-N 2 2 197.326 0.374 10 0 ACAELP C[N@@H+]1CCCC[C@H]1C[NH2+]CCCO 44562833 573912263 /nfs/dbraw/zinc/91/22/63/573912263.db2.gz DIIMVHZWHYJSRG-JTQLQIEISA-N 2 2 186.299 0.443 10 0 ACAELP C[N@H+]1CCCC[C@H]1C[NH2+]CCCO 44562833 573912266 /nfs/dbraw/zinc/91/22/66/573912266.db2.gz DIIMVHZWHYJSRG-JTQLQIEISA-N 2 2 186.299 0.443 10 0 ACAELP [NH3+]C[C@H](F)C[NH+]1CCSCC1 259236205 573915932 /nfs/dbraw/zinc/91/59/32/573915932.db2.gz DOAHMFCNCDZRBB-ZETCQYMHSA-N 2 2 178.276 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573988151 /nfs/dbraw/zinc/98/81/51/573988151.db2.gz UWYQBQVQQGRYLN-LLVKDONJSA-N 2 2 197.326 0.504 10 0 ACAELP C[N@H+]1CCN(C2CCCC2)[C@H](C[NH3+])C1 87613379 573988153 /nfs/dbraw/zinc/98/81/53/573988153.db2.gz UWYQBQVQQGRYLN-LLVKDONJSA-N 2 2 197.326 0.504 10 0 ACAELP CN1CC[N@H+](C2CCCC2)[C@H](C[NH3+])C1 87613379 573988155 /nfs/dbraw/zinc/98/81/55/573988155.db2.gz UWYQBQVQQGRYLN-LLVKDONJSA-N 2 2 197.326 0.504 10 0 ACAELP C/C=C/CN1CC[N@H+](C)C[C@@H]1C[NH3+] 87613793 573988240 /nfs/dbraw/zinc/98/82/40/573988240.db2.gz RHWGIBGLRKLYCZ-FSIBCCDJSA-N 2 2 183.299 0.137 10 0 ACAELP C/C=C/CN1CC[N@@H+](C)C[C@@H]1C[NH3+] 87613793 573988245 /nfs/dbraw/zinc/98/82/45/573988245.db2.gz RHWGIBGLRKLYCZ-FSIBCCDJSA-N 2 2 183.299 0.137 10 0 ACAELP [NH3+]Cc1ccnnc1-n1cc[nH+]c1 87614166 573988549 /nfs/dbraw/zinc/98/85/49/573988549.db2.gz AJPODFRBUMYMPA-UHFFFAOYSA-N 2 2 175.195 0.121 10 0 ACAELP C[NH2+]CC[C@@H](C)[NH2+]Cc1cn(C)cn1 323246824 573988769 /nfs/dbraw/zinc/98/87/69/573988769.db2.gz 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C[NH2+][C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 82248324 486808447 /nfs/dbraw/zinc/80/84/47/486808447.db2.gz AZBHHVATMYQPKE-QMMMGPOBSA-N 2 2 193.250 0.936 10 0 ACAELP C[NH2+][C@H](C)C(=O)Nc1cc[nH+]cc1C 82248325 486808949 /nfs/dbraw/zinc/80/89/49/486808949.db2.gz UNCAVIIPLPUCDL-MRVPVSSYSA-N 2 2 193.250 0.936 10 0 ACAELP C[NH2+][C@H](C)C(=O)Nc1cc[nH+]c(C)c1 82248323 486809013 /nfs/dbraw/zinc/80/90/13/486809013.db2.gz AZBHHVATMYQPKE-MRVPVSSYSA-N 2 2 193.250 0.936 10 0 ACAELP Cc1nc(N[C@H](C)C[NH3+])cc[nH+]1 82576298 486816809 /nfs/dbraw/zinc/81/68/09/486816809.db2.gz HBFBEPIIHSGTBY-ZCFIWIBFSA-N 2 2 166.228 0.544 10 0 ACAELP Cc1cc(N[C@H](C)C[NH3+])nc[nH+]1 82576026 486816865 /nfs/dbraw/zinc/81/68/65/486816865.db2.gz IBACLJMNLVALNI-SSDOTTSWSA-N 2 2 166.228 0.544 10 0 ACAELP CC[C@@H]([NH3+])CNc1cc[nH+]c(C)n1 82584206 486817164 /nfs/dbraw/zinc/81/71/64/486817164.db2.gz PDCBVRWUSFXHDX-MRVPVSSYSA-N 2 2 180.255 0.934 10 0 ACAELP CC[C@H]([NH3+])CNc1cc[nH+]c(C)n1 82584205 486817229 /nfs/dbraw/zinc/81/72/29/486817229.db2.gz PDCBVRWUSFXHDX-QMMMGPOBSA-N 2 2 180.255 0.934 10 0 ACAELP CC[C@@H]([NH3+])CNc1cc(C)[nH+]cn1 82579385 486817722 /nfs/dbraw/zinc/81/77/22/486817722.db2.gz MKFCKOCZVFTUQX-MRVPVSSYSA-N 2 2 180.255 0.934 10 0 ACAELP CC[C@H]([NH3+])CNc1cc(C)[nH+]cn1 82584209 486817856 /nfs/dbraw/zinc/81/78/56/486817856.db2.gz MKFCKOCZVFTUQX-QMMMGPOBSA-N 2 2 180.255 0.934 10 0 ACAELP Cc1nc(NC[C@@H]([NH3+])C2CC2)cc[nH+]1 82593906 486819349 /nfs/dbraw/zinc/81/93/49/486819349.db2.gz VCBJMYDNHLWVPQ-SECBINFHSA-N 2 2 192.266 0.934 10 0 ACAELP CCN(CC[NH3+])c1cc(C)[nH+]cn1 82591962 486819374 /nfs/dbraw/zinc/81/93/74/486819374.db2.gz ZVYNYKLCOREDNC-UHFFFAOYSA-N 2 2 180.255 0.570 10 0 ACAELP Cc1nc(NC[C@H]([NH3+])C2CC2)cc[nH+]1 82593903 486819485 /nfs/dbraw/zinc/81/94/85/486819485.db2.gz VCBJMYDNHLWVPQ-VIFPVBQESA-N 2 2 192.266 0.934 10 0 ACAELP Cc1cc(NC[C@H]([NH3+])C2CC2)nc[nH+]1 82593908 486819525 /nfs/dbraw/zinc/81/95/25/486819525.db2.gz RSXUCZDKOGABKY-VIFPVBQESA-N 2 2 192.266 0.934 10 0 ACAELP Cc1cc(NC[C@@H]([NH3+])C2CC2)nc[nH+]1 82593910 486819554 /nfs/dbraw/zinc/81/95/54/486819554.db2.gz RSXUCZDKOGABKY-SECBINFHSA-N 2 2 192.266 0.934 10 0 ACAELP CCN(CC[NH3+])c1cc[nH+]c(C)n1 82591960 486819666 /nfs/dbraw/zinc/81/96/66/486819666.db2.gz SZKJAQFWSZNKJZ-UHFFFAOYSA-N 2 2 180.255 0.570 10 0 ACAELP Cc1nc(N(C)[C@H](C)C[NH3+])cc[nH+]1 82637638 486821578 /nfs/dbraw/zinc/82/15/78/486821578.db2.gz HUTBLTPTMYIPBD-SSDOTTSWSA-N 2 2 180.255 0.568 10 0 ACAELP Cc1cc(N(C)[C@H](C)C[NH3+])nc[nH+]1 82637634 486821610 /nfs/dbraw/zinc/82/16/10/486821610.db2.gz SKOGYWXRECGPKT-MRVPVSSYSA-N 2 2 180.255 0.568 10 0 ACAELP Cc1nc(N(C)[C@@H](C)C[NH3+])cc[nH+]1 82637637 486821977 /nfs/dbraw/zinc/82/19/77/486821977.db2.gz HUTBLTPTMYIPBD-ZETCQYMHSA-N 2 2 180.255 0.568 10 0 ACAELP Cc1cc(N(C)[C@@H](C)C[NH3+])nc[nH+]1 82637633 486822203 /nfs/dbraw/zinc/82/22/03/486822203.db2.gz SKOGYWXRECGPKT-QMMMGPOBSA-N 2 2 180.255 0.568 10 0 ACAELP Cc1cc(NC[C@@H](C)C[NH3+])nc[nH+]1 83387573 486834141 /nfs/dbraw/zinc/83/41/41/486834141.db2.gz CGMOYINECBLCIC-ZETCQYMHSA-N 2 2 180.255 0.792 10 0 ACAELP Cc1cc(NC[C@H](C)C[NH3+])nc[nH+]1 83387574 486834265 /nfs/dbraw/zinc/83/42/65/486834265.db2.gz CGMOYINECBLCIC-SSDOTTSWSA-N 2 2 180.255 0.792 10 0 ACAELP Cc1nc(NC[C@H](C)C[NH3+])cc[nH+]1 83387656 486834297 /nfs/dbraw/zinc/83/42/97/486834297.db2.gz QWYNFTMKDLYKMF-SSDOTTSWSA-N 2 2 180.255 0.792 10 0 ACAELP Cc1nc(NC[C@@H](C)C[NH3+])cc[nH+]1 83387655 486834388 /nfs/dbraw/zinc/83/43/88/486834388.db2.gz QWYNFTMKDLYKMF-ZETCQYMHSA-N 2 2 180.255 0.792 10 0 ACAELP CCC[C@H]([NH3+])C(=O)NCc1c[nH+]c[nH]1 84081174 486853396 /nfs/dbraw/zinc/85/33/96/486853396.db2.gz CJRNDTUOILTKIL-QMMMGPOBSA-N 2 2 196.254 0.153 10 0 ACAELP CCC[C@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 84081174 486853398 /nfs/dbraw/zinc/85/33/98/486853398.db2.gz CJRNDTUOILTKIL-QMMMGPOBSA-N 2 2 196.254 0.153 10 0 ACAELP CCC[C@@H]([NH3+])C(=O)NCc1c[nH+]c[nH]1 84081175 486853500 /nfs/dbraw/zinc/85/35/00/486853500.db2.gz CJRNDTUOILTKIL-MRVPVSSYSA-N 2 2 196.254 0.153 10 0 ACAELP CCC[C@@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 84081175 486853504 /nfs/dbraw/zinc/85/35/04/486853504.db2.gz CJRNDTUOILTKIL-MRVPVSSYSA-N 2 2 196.254 0.153 10 0 ACAELP C[C@H]([NH3+])CCC(=O)NCc1c[nH+]c[nH]1 84081155 486853683 /nfs/dbraw/zinc/85/36/83/486853683.db2.gz OUEVAGLYWMFXMX-ZETCQYMHSA-N 2 2 196.254 0.153 10 0 ACAELP C[C@H]([NH3+])CCC(=O)NCc1c[nH]c[nH+]1 84081155 486853687 /nfs/dbraw/zinc/85/36/87/486853687.db2.gz OUEVAGLYWMFXMX-ZETCQYMHSA-N 2 2 196.254 0.153 10 0 ACAELP C[C@@H]([NH3+])CCC(=O)NCc1c[nH+]c[nH]1 84081156 486853974 /nfs/dbraw/zinc/85/39/74/486853974.db2.gz OUEVAGLYWMFXMX-SSDOTTSWSA-N 2 2 196.254 0.153 10 0 ACAELP C[C@@H]([NH3+])CCC(=O)NCc1c[nH]c[nH+]1 84081156 486853978 /nfs/dbraw/zinc/85/39/78/486853978.db2.gz OUEVAGLYWMFXMX-SSDOTTSWSA-N 2 2 196.254 0.153 10 0 ACAELP C[NH+](C)CCC[N@H+](C)Cc1cn[nH]c1 676704537 486866235 /nfs/dbraw/zinc/86/62/35/486866235.db2.gz OESHMODHIJIVDK-UHFFFAOYSA-N 2 2 196.298 0.793 10 0 ACAELP C[NH+](C)CCC[N@@H+](C)Cc1cn[nH]c1 676704537 486866241 /nfs/dbraw/zinc/86/62/41/486866241.db2.gz OESHMODHIJIVDK-UHFFFAOYSA-N 2 2 196.298 0.793 10 0 ACAELP Cc1nc(N(C)C2C[NH2+]C2)cc[nH+]1 85258407 486866404 /nfs/dbraw/zinc/86/64/04/486866404.db2.gz MAOFSXPBMFQYDS-UHFFFAOYSA-N 2 2 178.239 0.193 10 0 ACAELP Cc1cc(N(C)C2C[NH2+]C2)nc[nH+]1 85258489 486866566 /nfs/dbraw/zinc/86/65/66/486866566.db2.gz SYXXHGXVNSTGTF-UHFFFAOYSA-N 2 2 178.239 0.193 10 0 ACAELP C1C[C@@H](C[N@@H+]2C[C@@H]3CC[C@H](C2)O3)C[NH2+]1 85540479 486869017 /nfs/dbraw/zinc/86/90/17/486869017.db2.gz AKWNACXHWPTLHZ-MXWKQRLJSA-N 2 2 196.294 0.459 10 0 ACAELP C1C[C@@H](C[N@H+]2C[C@@H]3CC[C@H](C2)O3)C[NH2+]1 85540479 486869020 /nfs/dbraw/zinc/86/90/20/486869020.db2.gz AKWNACXHWPTLHZ-MXWKQRLJSA-N 2 2 196.294 0.459 10 0 ACAELP C[NH2+]CCC[N@@H+]1C[C@@H]2CC[C@H](C1)O2 85540183 486869086 /nfs/dbraw/zinc/86/90/86/486869086.db2.gz GBLAHRGKYCQXCH-AOOOYVTPSA-N 2 2 184.283 0.459 10 0 ACAELP C[NH2+]CCC[N@H+]1C[C@@H]2CC[C@H](C1)O2 85540183 486869092 /nfs/dbraw/zinc/86/90/92/486869092.db2.gz GBLAHRGKYCQXCH-AOOOYVTPSA-N 2 2 184.283 0.459 10 0 ACAELP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)C[C@@H]1C 86010102 486871407 /nfs/dbraw/zinc/87/14/07/486871407.db2.gz YUPPHBZWECQCAU-AXFHLTTASA-N 2 2 198.310 0.563 10 0 ACAELP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)C[C@@H]1C 86010102 486871413 /nfs/dbraw/zinc/87/14/13/486871413.db2.gz YUPPHBZWECQCAU-AXFHLTTASA-N 2 2 198.310 0.563 10 0 ACAELP C[C@@H]1C[NH+](C[C@@H]2C[NH2+]CCO2)C[C@H]1C 86010104 486871756 /nfs/dbraw/zinc/87/17/56/486871756.db2.gz YUPPHBZWECQCAU-MXWKQRLJSA-N 2 2 198.310 0.563 10 0 ACAELP C1CO[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)C1 86724966 486884158 /nfs/dbraw/zinc/88/41/58/486884158.db2.gz TTYOINORLXQFGY-RKDXNWHRSA-N 2 2 170.256 0.117 10 0 ACAELP C1CO[C@@H](C[NH2+][C@H]2CC[NH2+]C2)C1 86724971 486884170 /nfs/dbraw/zinc/88/41/70/486884170.db2.gz TTYOINORLXQFGY-DTWKUNHWSA-N 2 2 170.256 0.117 10 0 ACAELP C1CO[C@H](C[NH2+][C@@H]2CC[NH2+]C2)C1 86724969 486884198 /nfs/dbraw/zinc/88/41/98/486884198.db2.gz TTYOINORLXQFGY-BDAKNGLRSA-N 2 2 170.256 0.117 10 0 ACAELP c1coc(CC[NH2+][C@@H]2CC[NH2+]C2)c1 86726382 486884683 /nfs/dbraw/zinc/88/46/83/486884683.db2.gz AQKUKBUKIKOMSZ-SECBINFHSA-N 2 2 180.251 0.774 10 0 ACAELP c1coc(CC[NH2+][C@H]2CC[NH2+]C2)c1 86726393 486884881 /nfs/dbraw/zinc/88/48/81/486884881.db2.gz AQKUKBUKIKOMSZ-VIFPVBQESA-N 2 2 180.251 0.774 10 0 ACAELP C1CO[C@H](C[NH2+][C@H]2CC[NH2+]C2)C1 86724974 486884894 /nfs/dbraw/zinc/88/48/94/486884894.db2.gz TTYOINORLXQFGY-IUCAKERBSA-N 2 2 170.256 0.117 10 0 ACAELP CC(C)C[C@H](CO)[NH2+][C@H]1CC[NH2+]C1 86729204 486885295 /nfs/dbraw/zinc/88/52/95/486885295.db2.gz PDVXEOPFFJVLQW-VHSXEESVSA-N 2 2 186.299 0.345 10 0 ACAELP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[NH2+]C1 86729201 486885300 /nfs/dbraw/zinc/88/53/00/486885300.db2.gz PDVXEOPFFJVLQW-NXEZZACHSA-N 2 2 186.299 0.345 10 0 ACAELP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 86729672 486885345 /nfs/dbraw/zinc/88/53/45/486885345.db2.gz YJQPJKMBXIRTTD-OPRDCNLKSA-N 2 2 184.283 0.505 10 0 ACAELP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[NH2+]C1 86729200 486885360 /nfs/dbraw/zinc/88/53/60/486885360.db2.gz PDVXEOPFFJVLQW-ZJUUUORDSA-N 2 2 186.299 0.345 10 0 ACAELP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[NH2+]C1 86729203 486885412 /nfs/dbraw/zinc/88/54/12/486885412.db2.gz PDVXEOPFFJVLQW-UWVGGRQHSA-N 2 2 186.299 0.345 10 0 ACAELP CCCCOCC[NH2+][C@@H]1CC[NH2+]C1 86729116 486885877 /nfs/dbraw/zinc/88/58/77/486885877.db2.gz IPWLGAVWOBTUKQ-SNVBAGLBSA-N 2 2 186.299 0.755 10 0 ACAELP C1CCC(OCC[NH2+][C@H]2CC[NH2+]C2)C1 86730153 486885943 /nfs/dbraw/zinc/88/59/43/486885943.db2.gz PNNTYUPIXCOBOU-JTQLQIEISA-N 2 2 198.310 0.897 10 0 ACAELP C1CCC(OCC[NH2+][C@@H]2CC[NH2+]C2)C1 86730151 486886135 /nfs/dbraw/zinc/88/61/35/486886135.db2.gz PNNTYUPIXCOBOU-SNVBAGLBSA-N 2 2 198.310 0.897 10 0 ACAELP CCCCOCC[NH2+][C@H]1CC[NH2+]C1 86729119 486886234 /nfs/dbraw/zinc/88/62/34/486886234.db2.gz IPWLGAVWOBTUKQ-JTQLQIEISA-N 2 2 186.299 0.755 10 0 ACAELP 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/nfs/dbraw/zinc/33/32/13/487333213.db2.gz PBILTBZEZLGWAX-YUMQZZPRSA-N 2 2 172.247 0.910 10 0 ACAELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC1(F)CC1 666718845 487333216 /nfs/dbraw/zinc/33/32/16/487333216.db2.gz PBILTBZEZLGWAX-YUMQZZPRSA-N 2 2 172.247 0.910 10 0 ACAELP C[NH2+]CC[NH2+][C@@H]1CCCSC1 666778815 487337204 /nfs/dbraw/zinc/33/72/04/487337204.db2.gz FMDSTTRGZIDQFH-MRVPVSSYSA-N 2 2 174.313 0.691 10 0 ACAELP C[NH2+]CC[NH2+][C@H]1CCCSC1 666778816 487336974 /nfs/dbraw/zinc/33/69/74/487336974.db2.gz FMDSTTRGZIDQFH-QMMMGPOBSA-N 2 2 174.313 0.691 10 0 ACAELP C[NH2+]CC[NH2+]Cc1nc(C)ccc1O 666777111 487337173 /nfs/dbraw/zinc/33/71/73/487337173.db2.gz CGKYXMSEDRGRHQ-UHFFFAOYSA-N 2 2 195.266 0.405 10 0 ACAELP CC[NH2+]CC[NH2+]CC1(F)CC1 666782300 487338169 /nfs/dbraw/zinc/33/81/69/487338169.db2.gz HVGUASGUGUWSDV-UHFFFAOYSA-N 2 2 160.236 0.688 10 0 ACAELP FC1(C[NH2+]C[C@@H]2CCC[NH2+]2)CC1 666783942 487338803 /nfs/dbraw/zinc/33/88/03/487338803.db2.gz TYUXWNVQLUVFIG-QMMMGPOBSA-N 2 2 172.247 0.830 10 0 ACAELP FC1(C[NH2+]C[C@H]2CCC[NH2+]2)CC1 666783940 487338811 /nfs/dbraw/zinc/33/88/11/487338811.db2.gz TYUXWNVQLUVFIG-MRVPVSSYSA-N 2 2 172.247 0.830 10 0 ACAELP [NH3+]CCC[NH2+]CC1([NH3+])CCCCCC1 666810232 487339959 /nfs/dbraw/zinc/33/99/59/487339959.db2.gz JTGDRYADVDBRDV-UHFFFAOYSA-N 3 2 199.342 0.977 10 0 ACAELP FC1(C[NH2+][C@H]2CCC[NH2+]C2)CC1 666814562 487340740 /nfs/dbraw/zinc/34/07/40/487340740.db2.gz UYTSFPGRRLCNCV-QMMMGPOBSA-N 2 2 172.247 0.830 10 0 ACAELP FC1(C[NH2+][C@@H]2CCC[NH2+]C2)CC1 666814560 487340917 /nfs/dbraw/zinc/34/09/17/487340917.db2.gz UYTSFPGRRLCNCV-MRVPVSSYSA-N 2 2 172.247 0.830 10 0 ACAELP Cc1ccc(O)c(C[NH2+][C@H](C)C[NH3+])n1 666866769 487343154 /nfs/dbraw/zinc/34/31/54/487343154.db2.gz RWYIIQJFDIWDCP-MRVPVSSYSA-N 2 2 195.266 0.532 10 0 ACAELP F[C@@H]1C[NH2+][C@H](C[NH2+]CC2(F)CC2)C1 666947809 487350655 /nfs/dbraw/zinc/35/06/55/487350655.db2.gz IVNHUNGRHZVXOW-YUMQZZPRSA-N 2 2 190.237 0.778 10 0 ACAELP CC(C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 666947585 487350641 /nfs/dbraw/zinc/35/06/41/487350641.db2.gz BTAVYRUJKDMYKL-YUMQZZPRSA-N 2 2 160.236 0.684 10 0 ACAELP C[C@@H]1C[N@H+](CCC[NH3+])C[C@@]1(C)C[NH3+] 666985220 487352114 /nfs/dbraw/zinc/35/21/14/487352114.db2.gz MJKJTHFEYGULNT-NXEZZACHSA-N 3 2 185.315 0.252 10 0 ACAELP C[C@@H]1C[N@@H+](CCC[NH3+])C[C@@]1(C)C[NH3+] 666985220 487352116 /nfs/dbraw/zinc/35/21/16/487352116.db2.gz MJKJTHFEYGULNT-NXEZZACHSA-N 3 2 185.315 0.252 10 0 ACAELP C[NH2+]CCC[N@H+](C)CC1(C[NH3+])CC1 667054950 487354464 /nfs/dbraw/zinc/35/44/64/487354464.db2.gz SJBFEGGTWHWWKE-UHFFFAOYSA-N 3 2 185.315 0.267 10 0 ACAELP C[NH2+]CCC[N@@H+](C)CC1(C[NH3+])CC1 667054950 487354467 /nfs/dbraw/zinc/35/44/67/487354467.db2.gz SJBFEGGTWHWWKE-UHFFFAOYSA-N 3 2 185.315 0.267 10 0 ACAELP Cc1[nH+]cc(C[N@@H+](C)[C@@H](C)CO)n1C 668162547 487360455 /nfs/dbraw/zinc/36/04/55/487360455.db2.gz AGEZUFFIVIXWAQ-QMMMGPOBSA-N 2 2 197.282 0.541 10 0 ACAELP Cc1[nH+]cc(C[N@H+](C)[C@@H](C)CO)n1C 668162547 487360458 /nfs/dbraw/zinc/36/04/58/487360458.db2.gz AGEZUFFIVIXWAQ-QMMMGPOBSA-N 2 2 197.282 0.541 10 0 ACAELP C[NH+]1CC(C[N@@H+](C)CC2(F)CC2)C1 668540190 487363538 /nfs/dbraw/zinc/36/35/38/487363538.db2.gz ZFUGXTBCYDGTNF-UHFFFAOYSA-N 2 2 186.274 0.982 10 0 ACAELP C[NH+]1CC(C[N@H+](C)CC2(F)CC2)C1 668540190 487363541 /nfs/dbraw/zinc/36/35/41/487363541.db2.gz ZFUGXTBCYDGTNF-UHFFFAOYSA-N 2 2 186.274 0.982 10 0 ACAELP C[NH+]1CC(C[N@@H+](C)Cc2cn[nH]c2)C1 668540063 487363922 /nfs/dbraw/zinc/36/39/22/487363922.db2.gz VOKAUZYCBNJSTQ-UHFFFAOYSA-N 2 2 194.282 0.403 10 0 ACAELP C[NH+]1CC(C[N@H+](C)Cc2cn[nH]c2)C1 668540063 487363926 /nfs/dbraw/zinc/36/39/26/487363926.db2.gz VOKAUZYCBNJSTQ-UHFFFAOYSA-N 2 2 194.282 0.403 10 0 ACAELP C[NH+]1CC(C[N@H+](C)CC2CC2)C1 668539980 487364003 /nfs/dbraw/zinc/36/40/03/487364003.db2.gz SHJDIROUFFQLDC-UHFFFAOYSA-N 2 2 168.284 0.890 10 0 ACAELP C[NH+]1CC(C[N@@H+](C)CC2CC2)C1 668539980 487364005 /nfs/dbraw/zinc/36/40/05/487364005.db2.gz SHJDIROUFFQLDC-UHFFFAOYSA-N 2 2 168.284 0.890 10 0 ACAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 669427259 487372758 /nfs/dbraw/zinc/37/27/58/487372758.db2.gz UCAMFSBEGXUZBT-UKKRHICBSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 669427259 487372761 /nfs/dbraw/zinc/37/27/61/487372761.db2.gz UCAMFSBEGXUZBT-UKKRHICBSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 669427260 487373004 /nfs/dbraw/zinc/37/30/04/487373004.db2.gz UCAMFSBEGXUZBT-XWLWVQCSSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 669427260 487373006 /nfs/dbraw/zinc/37/30/06/487373006.db2.gz UCAMFSBEGXUZBT-XWLWVQCSSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 669427261 487373024 /nfs/dbraw/zinc/37/30/24/487373024.db2.gz UCAMFSBEGXUZBT-ZNSHCXBVSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 669427261 487373027 /nfs/dbraw/zinc/37/30/27/487373027.db2.gz UCAMFSBEGXUZBT-ZNSHCXBVSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 669427258 487373064 /nfs/dbraw/zinc/37/30/64/487373064.db2.gz UCAMFSBEGXUZBT-DBIOUOCHSA-N 2 2 198.310 0.440 10 0 ACAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 669427258 487373067 /nfs/dbraw/zinc/37/30/67/487373067.db2.gz UCAMFSBEGXUZBT-DBIOUOCHSA-N 2 2 198.310 0.440 10 0 ACAELP COCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 757126599 582457968 /nfs/dbraw/zinc/45/79/68/582457968.db2.gz GGKZOXJNOBKUEB-JTQLQIEISA-N 2 2 184.283 0.461 10 0 ACAELP COCC[N@H+]1CCC[C@@]12CC[NH2+]C2 757126599 582457969 /nfs/dbraw/zinc/45/79/69/582457969.db2.gz GGKZOXJNOBKUEB-JTQLQIEISA-N 2 2 184.283 0.461 10 0 ACAELP C1C[NH2+]C[C@@]2(C1)[NH2+][C@H](C1CC1)CCO2 757138577 582460510 /nfs/dbraw/zinc/46/05/10/582460510.db2.gz CKPZJIMYIXKJJZ-QWRGUYRKSA-N 2 2 196.294 0.855 10 0 ACAELP C1C[NH2+]C[C@]2(C1)[NH2+][C@H](C1CC1)CCO2 757138578 582460615 /nfs/dbraw/zinc/46/06/15/582460615.db2.gz CKPZJIMYIXKJJZ-WDEREUQCSA-N 2 2 196.294 0.855 10 0 ACAELP C1C[NH2+]C[C@]2(C1)[NH2+][C@@H](C1CC1)CCO2 757138573 582460819 /nfs/dbraw/zinc/46/08/19/582460819.db2.gz CKPZJIMYIXKJJZ-GHMZBOCLSA-N 2 2 196.294 0.855 10 0 ACAELP C1C[NH2+]C[C@@]2(C1)[NH2+][C@@H](C1CC1)CCO2 757138574 582461009 /nfs/dbraw/zinc/46/10/09/582461009.db2.gz CKPZJIMYIXKJJZ-MNOVXSKESA-N 2 2 196.294 0.855 10 0 ACAELP CCc1nc(N2CC[C@@H]2C[NH3+])cc[nH+]1 757140045 582461223 /nfs/dbraw/zinc/46/12/23/582461223.db2.gz DMCDYSZONZOLMU-MRVPVSSYSA-N 2 2 192.266 0.576 10 0 ACAELP CCc1nc(N2CC[C@H]2C[NH3+])cc[nH+]1 757140067 582461537 /nfs/dbraw/zinc/46/15/37/582461537.db2.gz DMCDYSZONZOLMU-QMMMGPOBSA-N 2 2 192.266 0.576 10 0 ACAELP C1C[NH2+]C[C@@]2(C1)[NH2+]C[C@@H](C1CC1)CO2 757143576 582463640 /nfs/dbraw/zinc/46/36/40/582463640.db2.gz DMNKECSZVFPNCO-MNOVXSKESA-N 2 2 196.294 0.712 10 0 ACAELP C1C[NH2+]C[C@]2(C1)[NH2+]C[C@H](C1CC1)CO2 757143581 582463694 /nfs/dbraw/zinc/46/36/94/582463694.db2.gz DMNKECSZVFPNCO-WDEREUQCSA-N 2 2 196.294 0.712 10 0 ACAELP C1C[NH2+]C[C@]2(C1)[NH2+]C[C@@H](C1CC1)CO2 757143574 582463792 /nfs/dbraw/zinc/46/37/92/582463792.db2.gz DMNKECSZVFPNCO-GHMZBOCLSA-N 2 2 196.294 0.712 10 0 ACAELP C1C[NH2+]C[C@@]2(C1)[NH2+]C[C@H](C1CC1)CO2 757143580 582463840 /nfs/dbraw/zinc/46/38/40/582463840.db2.gz DMNKECSZVFPNCO-QWRGUYRKSA-N 2 2 196.294 0.712 10 0 ACAELP COc1cc(N2CC[C@H]2C[NH3+])cc[nH+]1 757146491 582465200 /nfs/dbraw/zinc/46/52/00/582465200.db2.gz NZNJOJNADHUYKO-VIFPVBQESA-N 2 2 193.250 0.628 10 0 ACAELP COc1cc(N2CC[C@@H]2C[NH3+])cc[nH+]1 757146489 582465270 /nfs/dbraw/zinc/46/52/70/582465270.db2.gz NZNJOJNADHUYKO-SECBINFHSA-N 2 2 193.250 0.628 10 0 ACAELP [NH3+]C[C@H]1CC[N@@H+]1CC12CC(CO1)C2 757148007 582465341 /nfs/dbraw/zinc/46/53/41/582465341.db2.gz VLIUWXOTYGZSGK-HWOCKDDLSA-N 2 2 182.267 0.198 10 0 ACAELP [NH3+]C[C@H]1CC[N@H+]1CC12CC(CO1)C2 757148007 582465342 /nfs/dbraw/zinc/46/53/42/582465342.db2.gz VLIUWXOTYGZSGK-HWOCKDDLSA-N 2 2 182.267 0.198 10 0 ACAELP [NH3+]C[C@@H]1CC[N@@H+]1CC12CC(CO1)C2 757148008 582465542 /nfs/dbraw/zinc/46/55/42/582465542.db2.gz VLIUWXOTYGZSGK-KYHHOPLUSA-N 2 2 182.267 0.198 10 0 ACAELP [NH3+]C[C@@H]1CC[N@H+]1CC12CC(CO1)C2 757148008 582465544 /nfs/dbraw/zinc/46/55/44/582465544.db2.gz VLIUWXOTYGZSGK-KYHHOPLUSA-N 2 2 182.267 0.198 10 0 ACAELP Cc1nc(N2CC[C@H]2C[NH3+])cc[nH+]1 757151298 582466898 /nfs/dbraw/zinc/46/68/98/582466898.db2.gz XMSWLZRIIBBADZ-QMMMGPOBSA-N 2 2 178.239 0.322 10 0 ACAELP Cc1nc(N2CC[C@@H]2C[NH3+])cc[nH+]1 757151291 582466915 /nfs/dbraw/zinc/46/69/15/582466915.db2.gz XMSWLZRIIBBADZ-MRVPVSSYSA-N 2 2 178.239 0.322 10 0 ACAELP CC(C)n1c[nH+]c(C[C@H]([NH3+])CO)c1 757191507 582471954 /nfs/dbraw/zinc/47/19/54/582471954.db2.gz RZYLLPGJKLXDNM-QMMMGPOBSA-N 2 2 183.255 0.326 10 0 ACAELP CC(C)n1c[nH+]c(C[C@@H]([NH3+])CO)c1 757191485 582471969 /nfs/dbraw/zinc/47/19/69/582471969.db2.gz RZYLLPGJKLXDNM-MRVPVSSYSA-N 2 2 183.255 0.326 10 0 ACAELP [NH3+][C@@H]1CC[C@H](c2cncnc2)[NH2+]C1 757218624 582473074 /nfs/dbraw/zinc/47/30/74/582473074.db2.gz VKUCPZLYUZQNOK-RKDXNWHRSA-N 2 2 178.239 0.228 10 0 ACAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCOC1 306439184 582486140 /nfs/dbraw/zinc/48/61/40/582486140.db2.gz GWSHKQJXDRWRIZ-MXWKQRLJSA-N 2 2 198.310 0.563 10 0 ACAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCOC1 306439184 582486142 /nfs/dbraw/zinc/48/61/42/582486142.db2.gz GWSHKQJXDRWRIZ-MXWKQRLJSA-N 2 2 198.310 0.563 10 0 ACAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCOC1 306439189 582486214 /nfs/dbraw/zinc/48/62/14/582486214.db2.gz GWSHKQJXDRWRIZ-OUAUKWLOSA-N 2 2 198.310 0.563 10 0 ACAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCOC1 306439189 582486215 /nfs/dbraw/zinc/48/62/15/582486215.db2.gz GWSHKQJXDRWRIZ-OUAUKWLOSA-N 2 2 198.310 0.563 10 0 ACAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCOC1 306439177 582486336 /nfs/dbraw/zinc/48/63/36/582486336.db2.gz GWSHKQJXDRWRIZ-GMTAPVOTSA-N 2 2 198.310 0.563 10 0 ACAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCOC1 306439177 582486338 /nfs/dbraw/zinc/48/63/38/582486338.db2.gz GWSHKQJXDRWRIZ-GMTAPVOTSA-N 2 2 198.310 0.563 10 0 ACAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCOC1 306439195 582487024 /nfs/dbraw/zinc/48/70/24/582487024.db2.gz GWSHKQJXDRWRIZ-VWYCJHECSA-N 2 2 198.310 0.563 10 0 ACAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCOC1 306439195 582487026 /nfs/dbraw/zinc/48/70/26/582487026.db2.gz GWSHKQJXDRWRIZ-VWYCJHECSA-N 2 2 198.310 0.563 10 0 ACAELP C[N@H+](C[C@@H]1C[NH2+]CCO1)C1CCC1 158730387 582491442 /nfs/dbraw/zinc/49/14/42/582491442.db2.gz QEWHDUNCXOJRKQ-JTQLQIEISA-N 2 2 184.283 0.459 10 0 ACAELP C[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CCC1 158730387 582491444 /nfs/dbraw/zinc/49/14/44/582491444.db2.gz QEWHDUNCXOJRKQ-JTQLQIEISA-N 2 2 184.283 0.459 10 0 ACAELP Nc1[nH+]ccn1CCCn1cc[nH+]c1 702499917 582495242 /nfs/dbraw/zinc/49/52/42/582495242.db2.gz WUBWJNFKSFKSPN-UHFFFAOYSA-N 2 2 191.238 0.752 10 0 ACAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCO1 307548702 582515809 /nfs/dbraw/zinc/51/58/09/582515809.db2.gz MTGFNYPFODAMBG-VWYCJHECSA-N 2 2 198.310 0.705 10 0 ACAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCO1 307548702 582515810 /nfs/dbraw/zinc/51/58/10/582515810.db2.gz MTGFNYPFODAMBG-VWYCJHECSA-N 2 2 198.310 0.705 10 0 ACAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCO1 307548701 582516316 /nfs/dbraw/zinc/51/63/16/582516316.db2.gz MTGFNYPFODAMBG-OUAUKWLOSA-N 2 2 198.310 0.705 10 0 ACAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCO1 307548701 582516318 /nfs/dbraw/zinc/51/63/18/582516318.db2.gz MTGFNYPFODAMBG-OUAUKWLOSA-N 2 2 198.310 0.705 10 0 ACAELP Cn1c[nH+]cc1C[N@@H+]1CC=C[C@@H]1CO 880485671 582521392 /nfs/dbraw/zinc/52/13/92/582521392.db2.gz GQFLLELOUGNIDH-SECBINFHSA-N 2 2 193.250 0.153 10 0 ACAELP Cn1c[nH+]cc1C[N@H+]1CC=C[C@@H]1CO 880485671 582521395 /nfs/dbraw/zinc/52/13/95/582521395.db2.gz GQFLLELOUGNIDH-SECBINFHSA-N 2 2 193.250 0.153 10 0 ACAELP Cn1c[nH+]cc1C[N@@H+]1CC=C[C@H]1CO 880485672 582521499 /nfs/dbraw/zinc/52/14/99/582521499.db2.gz GQFLLELOUGNIDH-VIFPVBQESA-N 2 2 193.250 0.153 10 0 ACAELP Cn1c[nH+]cc1C[N@H+]1CC=C[C@H]1CO 880485672 582521501 /nfs/dbraw/zinc/52/15/01/582521501.db2.gz GQFLLELOUGNIDH-VIFPVBQESA-N 2 2 193.250 0.153 10 0 ACAELP C1C[NH+]([C@H]2C[C@@H]3CC[C@H](C2)[NH2+]3)CCO1 263616878 582552731 /nfs/dbraw/zinc/55/27/31/582552731.db2.gz LAAJIVHASMMLDY-JGPRNRPPSA-N 2 2 196.294 0.602 10 0 ACAELP C1C[NH+]([C@@H]2C[C@@H]3CC[C@H](C2)[NH2+]3)CCO1 263616879 582552752 /nfs/dbraw/zinc/55/27/52/582552752.db2.gz LAAJIVHASMMLDY-URLYPYJESA-N 2 2 196.294 0.602 10 0 ACAELP Cc1nc(NCC2([NH3+])CC2)cc[nH+]1 900410469 582572696 /nfs/dbraw/zinc/57/26/96/582572696.db2.gz RLPMSHDHMUNOKK-UHFFFAOYSA-N 2 2 178.239 0.688 10 0 ACAELP Cc1nc(N[C@H]2C[C@H](C[NH3+])C2)cc[nH+]1 900433715 582572707 /nfs/dbraw/zinc/57/27/07/582572707.db2.gz INQWTVDHQBIJBS-KYZUINATSA-N 2 2 192.266 0.934 10 0 ACAELP Cc1cc(N[C@H]2C[C@H](C[NH3+])C2)nc[nH+]1 900433711 582572793 /nfs/dbraw/zinc/57/27/93/582572793.db2.gz IHNRUJWZWWETMT-KYZUINATSA-N 2 2 192.266 0.934 10 0 ACAELP 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/nfs/dbraw/zinc/07/36/10/166073610.db2.gz VZYFISJUSWPNTD-SSDOTTSWSA-N 2 2 124.187 0.226 10 0 ACAELP C1=CC[C@H]2[NH2+]CCC[N@H+]2CC1 59050474 166076026 /nfs/dbraw/zinc/07/60/26/166076026.db2.gz MOOSMEVEYAAVDR-VIFPVBQESA-N 2 2 152.241 0.958 10 0 ACAELP C1=CC[C@H]2[NH2+]CCC[N@@H+]2CC1 59050474 166076027 /nfs/dbraw/zinc/07/60/27/166076027.db2.gz MOOSMEVEYAAVDR-VIFPVBQESA-N 2 2 152.241 0.958 10 0 ACAELP C1=CC[C@@H]2[NH2+]CCC[N@H+]2CC1 59050476 166076214 /nfs/dbraw/zinc/07/62/14/166076214.db2.gz MOOSMEVEYAAVDR-SECBINFHSA-N 2 2 152.241 0.958 10 0 ACAELP C1=CC[C@@H]2[NH2+]CCC[N@@H+]2CC1 59050476 166076216 /nfs/dbraw/zinc/07/62/16/166076216.db2.gz MOOSMEVEYAAVDR-SECBINFHSA-N 2 2 152.241 0.958 10 0 ACAELP C1=CC[NH+](C[C@@H]2CCC[NH2+]2)C1 39080291 166076422 /nfs/dbraw/zinc/07/64/22/166076422.db2.gz BVQLRRUDBWMEOO-VIFPVBQESA-N 2 2 152.241 0.610 10 0 ACAELP C1=C[C@@H]2[NH2+]CCC[N@H+]2CCC1 34454392 166077497 /nfs/dbraw/zinc/07/74/97/166077497.db2.gz BGNORAQHPDCDDJ-SECBINFHSA-N 2 2 152.241 0.958 10 0 ACAELP C1=C[C@@H]2[NH2+]CCC[N@@H+]2CCC1 34454392 166077499 /nfs/dbraw/zinc/07/74/99/166077499.db2.gz BGNORAQHPDCDDJ-SECBINFHSA-N 2 2 152.241 0.958 10 0 ACAELP C1=C[C@H]2[NH2+]CCC[N@H+]2CCC1 34454393 166079838 /nfs/dbraw/zinc/07/98/38/166079838.db2.gz BGNORAQHPDCDDJ-VIFPVBQESA-N 2 2 152.241 0.958 10 0 ACAELP C1=C[C@H]2[NH2+]CCC[N@@H+]2CCC1 34454393 166079841 /nfs/dbraw/zinc/07/98/41/166079841.db2.gz BGNORAQHPDCDDJ-VIFPVBQESA-N 2 2 152.241 0.958 10 0 ACAELP C[NH+](C)Cc1ncc2c(n1)C[NH2+]C2 132304081 343896361 /nfs/dbraw/zinc/89/63/61/343896361.db2.gz ROIJXBFVVBNCKG-UHFFFAOYSA-N 2 2 178.239 0.141 10 0 ACAELP C1CC([NH2+]C[C@H]2C[NH2+]CCO2)C1 52212223 166083032 /nfs/dbraw/zinc/08/30/32/166083032.db2.gz AEMBMGRCANSJGC-SECBINFHSA-N 2 2 170.256 0.117 10 0 ACAELP C1CC([NH2+]C[C@@H]2C[NH2+]CCO2)C1 52212220 166083978 /nfs/dbraw/zinc/08/39/78/166083978.db2.gz AEMBMGRCANSJGC-VIFPVBQESA-N 2 2 170.256 0.117 10 0 ACAELP C1CC([NH+]2CC2)CCC1[NH+]1CC1 1567052 166084285 /nfs/dbraw/zinc/08/42/85/166084285.db2.gz ZOPUEVATCGYRCB-UHFFFAOYSA-N 2 2 166.268 0.929 10 0 ACAELP C1CC([N@H+]2C[C@@H]3CC[C@H](C2)O3)CC[NH2+]1 85540507 166084322 /nfs/dbraw/zinc/08/43/22/166084322.db2.gz UNTROVBPKMBQLH-PHIMTYICSA-N 2 2 196.294 0.602 10 0 ACAELP C1CC([N@@H+]2C[C@@H]3CC[C@H](C2)O3)CC[NH2+]1 85540507 166084323 /nfs/dbraw/zinc/08/43/23/166084323.db2.gz UNTROVBPKMBQLH-PHIMTYICSA-N 2 2 196.294 0.602 10 0 ACAELP C1CC2(CC[NH2+]1)[NH2+]CCS2 87602451 166086406 /nfs/dbraw/zinc/08/64/06/166086406.db2.gz GIIKVRLLDPVVMC-UHFFFAOYSA-N 2 2 158.270 0.403 10 0 ACAELP C1CCC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 43801841 166089504 /nfs/dbraw/zinc/08/95/04/166089504.db2.gz PIDCIOMUTDWSJF-NSHDSACASA-N 2 2 198.310 0.851 10 0 ACAELP C1CCC[NH+](C[C@H]2C[NH2+]CCO2)CC1 43801844 166089568 /nfs/dbraw/zinc/08/95/68/166089568.db2.gz PIDCIOMUTDWSJF-LLVKDONJSA-N 2 2 198.310 0.851 10 0 ACAELP C1CC[N@@H+]2CCC[NH2+][C@H]2C1 34598968 166090753 /nfs/dbraw/zinc/09/07/53/166090753.db2.gz ODNYFOKFNAYLKH-MRVPVSSYSA-N 2 2 140.230 0.792 10 0 ACAELP C1CC[N@H+]2CCC[NH2+][C@H]2C1 34598968 166090756 /nfs/dbraw/zinc/09/07/56/166090756.db2.gz ODNYFOKFNAYLKH-MRVPVSSYSA-N 2 2 140.230 0.792 10 0 ACAELP C1CC[N@@H+]2CCC[NH2+][C@@H]2C1 34598967 166091070 /nfs/dbraw/zinc/09/10/70/166091070.db2.gz ODNYFOKFNAYLKH-QMMMGPOBSA-N 2 2 140.230 0.792 10 0 ACAELP C1CC[N@H+]2CCC[NH2+][C@@H]2C1 34598967 166091073 /nfs/dbraw/zinc/09/10/73/166091073.db2.gz ODNYFOKFNAYLKH-QMMMGPOBSA-N 2 2 140.230 0.792 10 0 ACAELP C1CC[C@@H]([N@@H+]2CCCOCC2)C[NH2+]C1 61936695 166091146 /nfs/dbraw/zinc/09/11/46/166091146.db2.gz ZRZRQVPYQIUCNN-LLVKDONJSA-N 2 2 198.310 0.851 10 0 ACAELP C1CC[C@@H]([N@H+]2CCCOCC2)C[NH2+]C1 61936695 166091147 /nfs/dbraw/zinc/09/11/47/166091147.db2.gz ZRZRQVPYQIUCNN-LLVKDONJSA-N 2 2 198.310 0.851 10 0 ACAELP C1CC[C@@H](C[NH2+]CC[NH2+]C2CC2)OC1 42825554 166091217 /nfs/dbraw/zinc/09/12/17/166091217.db2.gz LTTHIKXBEGATKD-NSHDSACASA-N 2 2 198.310 0.897 10 0 ACAELP C1CC[NH+](C[C@H]2C[NH2+]CCN2)CC1 39114433 166091410 /nfs/dbraw/zinc/09/14/10/166091410.db2.gz PJMTXHIVIVRHIH-SNVBAGLBSA-N 2 2 183.299 0.034 10 0 ACAELP C1CC[C@@H](C[N@@H+]2CCCOCC2)[NH2+]C1 61918693 166091742 /nfs/dbraw/zinc/09/17/42/166091742.db2.gz YDMXEPBCLQEVCZ-NSHDSACASA-N 2 2 198.310 0.851 10 0 ACAELP C1CC[C@@H](C[N@H+]2CCCOCC2)[NH2+]C1 61918693 166091746 /nfs/dbraw/zinc/09/17/46/166091746.db2.gz YDMXEPBCLQEVCZ-NSHDSACASA-N 2 2 198.310 0.851 10 0 ACAELP C1CC[NH+](C[C@@H]2C[NH2+]CCN2)CC1 39114432 166092108 /nfs/dbraw/zinc/09/21/08/166092108.db2.gz PJMTXHIVIVRHIH-JTQLQIEISA-N 2 2 183.299 0.034 10 0 ACAELP C1CC[C@H]([N@@H+]2CCCOCC2)C[NH2+]C1 61936696 166093690 /nfs/dbraw/zinc/09/36/90/166093690.db2.gz ZRZRQVPYQIUCNN-NSHDSACASA-N 2 2 198.310 0.851 10 0 ACAELP C1CC[C@H]([N@H+]2CCCOCC2)C[NH2+]C1 61936696 166093694 /nfs/dbraw/zinc/09/36/94/166093694.db2.gz ZRZRQVPYQIUCNN-NSHDSACASA-N 2 2 198.310 0.851 10 0 ACAELP C1CC[C@H](C[N@@H+]2CCCOCC2)[NH2+]C1 61918694 166094117 /nfs/dbraw/zinc/09/41/17/166094117.db2.gz YDMXEPBCLQEVCZ-LLVKDONJSA-N 2 2 198.310 0.851 10 0 ACAELP C1CC[C@H](C[N@H+]2CCCOCC2)[NH2+]C1 61918694 166094119 /nfs/dbraw/zinc/09/41/19/166094119.db2.gz YDMXEPBCLQEVCZ-LLVKDONJSA-N 2 2 198.310 0.851 10 0 ACAELP C1CC[C@H](C[NH2+]CC[NH2+]C2CC2)OC1 42825557 166094648 /nfs/dbraw/zinc/09/46/48/166094648.db2.gz LTTHIKXBEGATKD-LLVKDONJSA-N 2 2 198.310 0.897 10 0 ACAELP C1C[NH+]2CCC1[NH2+]C2 33975116 166096379 /nfs/dbraw/zinc/09/63/79/166096379.db2.gz KQDQZEZWWRPNQH-UHFFFAOYSA-N 2 2 112.176 0.012 10 0 ACAELP C1C[NH2+][C@H](CC[NH+]2CCOCC2)C1 41653082 166096841 /nfs/dbraw/zinc/09/68/41/166096841.db2.gz AWGKTOYRBNCUEX-JTQLQIEISA-N 2 2 184.283 0.461 10 0 ACAELP C1C[NH2+][C@@H](CC[NH+]2CCOCC2)C1 41653076 166096855 /nfs/dbraw/zinc/09/68/55/166096855.db2.gz AWGKTOYRBNCUEX-SNVBAGLBSA-N 2 2 184.283 0.461 10 0 ACAELP C1C[NH2+]C[C@H]([N@@H+]2CCCOCC2)C1 61918690 166097443 /nfs/dbraw/zinc/09/74/43/166097443.db2.gz MDYZXVNGUCSLOQ-SNVBAGLBSA-N 2 2 184.283 0.461 10 0 ACAELP C1C[NH2+]C[C@H]([N@H+]2CCCOCC2)C1 61918690 166097446 /nfs/dbraw/zinc/09/74/46/166097446.db2.gz MDYZXVNGUCSLOQ-SNVBAGLBSA-N 2 2 184.283 0.461 10 0 ACAELP C1C[NH2+][C@H](C[NH+]2CCSCC2)C1 20257473 166097796 /nfs/dbraw/zinc/09/77/96/166097796.db2.gz SJDJIBHRMOPSOD-VIFPVBQESA-N 2 2 186.324 0.787 10 0 ACAELP C1C[NH2+][C@@H](C[NH+]2CCSCC2)C1 20257472 166098111 /nfs/dbraw/zinc/09/81/11/166098111.db2.gz SJDJIBHRMOPSOD-SECBINFHSA-N 2 2 186.324 0.787 10 0 ACAELP C1C[NH2+][C@H](C[N@@H+]2CCCOCC2)C1 61918650 166098512 /nfs/dbraw/zinc/09/85/12/166098512.db2.gz WLLIUEPGWPOHCO-JTQLQIEISA-N 2 2 184.283 0.461 10 0 ACAELP C1C[NH2+][C@H](C[N@H+]2CCCOCC2)C1 61918650 166098515 /nfs/dbraw/zinc/09/85/15/166098515.db2.gz WLLIUEPGWPOHCO-JTQLQIEISA-N 2 2 184.283 0.461 10 0 ACAELP C1C[NH2+][C@@H]([NH+]2CCCC2)C1 39078698 166098610 /nfs/dbraw/zinc/09/86/10/166098610.db2.gz REXWLSPSBZTKRC-QMMMGPOBSA-N 2 2 140.230 0.792 10 0 ACAELP C1C[NH2+]C[C@H]([NH+]2CCSCC2)C1 43501368 166098685 /nfs/dbraw/zinc/09/86/85/166098685.db2.gz BGWAWYISIGTRQK-SECBINFHSA-N 2 2 186.324 0.787 10 0 ACAELP C1CO[C@H](C[NH2+]CC[NH+]2CCCC2)C1 41209484 166099650 /nfs/dbraw/zinc/09/96/50/166099650.db2.gz CONAZMOBLHMVJA-NSHDSACASA-N 2 2 198.310 0.851 10 0 ACAELP C1COCC[N@H+]([C@@H]2CC[NH2+]C2)C1 61918660 166099704 /nfs/dbraw/zinc/09/97/04/166099704.db2.gz JWNIOYJWUQZHDS-SECBINFHSA-N 2 2 170.256 0.071 10 0 ACAELP C1COCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 61918660 166099706 /nfs/dbraw/zinc/09/97/06/166099706.db2.gz JWNIOYJWUQZHDS-SECBINFHSA-N 2 2 170.256 0.071 10 0 ACAELP C1CO[C@@H](C[NH2+]CC[NH+]2CCCC2)C1 41209486 166101465 /nfs/dbraw/zinc/10/14/65/166101465.db2.gz CONAZMOBLHMVJA-LLVKDONJSA-N 2 2 198.310 0.851 10 0 ACAELP C1COCC[N@H+]([C@H]2CC[NH2+]C2)C1 61918661 166101823 /nfs/dbraw/zinc/10/18/23/166101823.db2.gz JWNIOYJWUQZHDS-VIFPVBQESA-N 2 2 170.256 0.071 10 0 ACAELP C1COCC[N@@H+]([C@H]2CC[NH2+]C2)C1 61918661 166101826 /nfs/dbraw/zinc/10/18/26/166101826.db2.gz JWNIOYJWUQZHDS-VIFPVBQESA-N 2 2 170.256 0.071 10 0 ACAELP C1C[C@@H]([NH2+][C@@H]2CC23CC3)C[NH2+]1 335080580 166102672 /nfs/dbraw/zinc/10/26/72/166102672.db2.gz XJJYDIUJOOUUPD-HTQZYQBOSA-N 2 2 152.241 0.490 10 0 ACAELP C1C[C@@H]2C[NH2+]C[C@@H](C3CC3)[N@H+]2C1 82402798 166103180 /nfs/dbraw/zinc/10/31/80/166103180.db2.gz HAGVPCPMQCPLDK-ZJUUUORDSA-N 2 2 166.268 0.833 10 0 ACAELP C1C[C@@H]2C[NH2+]C[C@@H](C3CC3)[N@@H+]2C1 82402798 166103181 /nfs/dbraw/zinc/10/31/81/166103181.db2.gz HAGVPCPMQCPLDK-ZJUUUORDSA-N 2 2 166.268 0.833 10 0 ACAELP C1C[C@@H]2C[NH2+]C[C@H](C3CC3)[N@H+]2C1 82402796 166104041 /nfs/dbraw/zinc/10/40/41/166104041.db2.gz HAGVPCPMQCPLDK-NXEZZACHSA-N 2 2 166.268 0.833 10 0 ACAELP C1C[C@@H]2C[NH2+]C[C@H](C3CC3)[N@@H+]2C1 82402796 166104042 /nfs/dbraw/zinc/10/40/42/166104042.db2.gz HAGVPCPMQCPLDK-NXEZZACHSA-N 2 2 166.268 0.833 10 0 ACAELP C1C[C@@H]([NH2+][C@H]2CC23CC3)C[NH2+]1 335080594 166104308 /nfs/dbraw/zinc/10/43/08/166104308.db2.gz XJJYDIUJOOUUPD-SFYZADRCSA-N 2 2 152.241 0.490 10 0 ACAELP C1C[C@H]2C[NH2+]C[C@@H](C3CC3)[N@H+]2C1 82402799 166105909 /nfs/dbraw/zinc/10/59/09/166105909.db2.gz HAGVPCPMQCPLDK-UWVGGRQHSA-N 2 2 166.268 0.833 10 0 ACAELP C1C[C@H]2C[NH2+]C[C@@H](C3CC3)[N@@H+]2C1 82402799 166105912 /nfs/dbraw/zinc/10/59/12/166105912.db2.gz HAGVPCPMQCPLDK-UWVGGRQHSA-N 2 2 166.268 0.833 10 0 ACAELP C1C[C@H]2C[NH2+]C[C@H](C3CC3)[N@H+]2C1 82402797 166106543 /nfs/dbraw/zinc/10/65/43/166106543.db2.gz HAGVPCPMQCPLDK-VHSXEESVSA-N 2 2 166.268 0.833 10 0 ACAELP C1C[C@H]2C[NH2+]C[C@H](C3CC3)[N@@H+]2C1 82402797 166106544 /nfs/dbraw/zinc/10/65/44/166106544.db2.gz HAGVPCPMQCPLDK-VHSXEESVSA-N 2 2 166.268 0.833 10 0 ACAELP C1C[C@@]2(C[NH2+]1)CC1CC[NH+]2CC1 39082278 166106580 /nfs/dbraw/zinc/10/65/80/166106580.db2.gz MWXBQECGTIYCJT-JTQLQIEISA-N 2 2 166.268 0.834 10 0 ACAELP C1C[C@H]2C[NH2+]CC3(CCOCC3)[N@@H+]2C1 82385643 166106937 /nfs/dbraw/zinc/10/69/37/166106937.db2.gz ZMRLUGCEPDLQQI-JTQLQIEISA-N 2 2 196.294 0.603 10 0 ACAELP C1C[C@H]2C[NH2+]CC3(CCOCC3)[N@H+]2C1 82385643 166106938 /nfs/dbraw/zinc/10/69/38/166106938.db2.gz ZMRLUGCEPDLQQI-JTQLQIEISA-N 2 2 196.294 0.603 10 0 ACAELP C1C[C@H]([NH2+][C@H]2CC23CC3)C[NH2+]1 335080597 166107381 /nfs/dbraw/zinc/10/73/81/166107381.db2.gz XJJYDIUJOOUUPD-YUMQZZPRSA-N 2 2 152.241 0.490 10 0 ACAELP C1C[C@H]([NH2+][C@@H]2CC23CC3)C[NH2+]1 335080592 166107541 /nfs/dbraw/zinc/10/75/41/166107541.db2.gz XJJYDIUJOOUUPD-JGVFFNPUSA-N 2 2 152.241 0.490 10 0 ACAELP C1C[C@@H]2CSCC[N@@H+]2CC[NH2+]1 82399860 166107568 /nfs/dbraw/zinc/10/75/68/166107568.db2.gz LTEAILSGGOZUGE-MRVPVSSYSA-N 2 2 172.297 0.397 10 0 ACAELP C1C[C@@H]2CSCC[N@H+]2CC[NH2+]1 82399860 166107570 /nfs/dbraw/zinc/10/75/70/166107570.db2.gz LTEAILSGGOZUGE-MRVPVSSYSA-N 2 2 172.297 0.397 10 0 ACAELP C1C[C@@]2(C[NH2+]1)C1CC[NH+]2CC1 39080327 166107574 /nfs/dbraw/zinc/10/75/74/166107574.db2.gz KRMSXHMBJVUIRD-SECBINFHSA-N 2 2 152.241 0.444 10 0 ACAELP C1C[C@]2(C[NH2+]1)CC1CC[NH+]2CC1 39082276 166108392 /nfs/dbraw/zinc/10/83/92/166108392.db2.gz MWXBQECGTIYCJT-SNVBAGLBSA-N 2 2 166.268 0.834 10 0 ACAELP C1C[C@]2(C[NH2+]1)C1CC[NH+]2CC1 39080325 166108831 /nfs/dbraw/zinc/10/88/31/166108831.db2.gz KRMSXHMBJVUIRD-VIFPVBQESA-N 2 2 152.241 0.444 10 0 ACAELP C1C[C@H]2CSCC[N@@H+]2CC[NH2+]1 82399859 166110221 /nfs/dbraw/zinc/11/02/21/166110221.db2.gz LTEAILSGGOZUGE-QMMMGPOBSA-N 2 2 172.297 0.397 10 0 ACAELP C1C[C@H]2CSCC[N@H+]2CC[NH2+]1 82399859 166110225 /nfs/dbraw/zinc/11/02/25/166110225.db2.gz LTEAILSGGOZUGE-QMMMGPOBSA-N 2 2 172.297 0.397 10 0 ACAELP CCO[NH2+]C1CCC([NH3+])CC1 133075397 343911476 /nfs/dbraw/zinc/91/14/76/343911476.db2.gz NUBREBWQNJCGFO-UHFFFAOYSA-N 2 2 158.245 0.797 10 0 ACAELP C[C@H]1C[N@@H+]([C@@H](C)[C@H](C)[NH3+])C[C@@H](C)O1 133222671 343913390 /nfs/dbraw/zinc/91/33/90/343913390.db2.gz FMXCTDZVHOJDQS-JXUBOQSCSA-N 2 2 186.299 0.831 10 0 ACAELP C[C@H]1C[N@H+]([C@@H](C)[C@H](C)[NH3+])C[C@@H](C)O1 133222671 343913391 /nfs/dbraw/zinc/91/33/91/343913391.db2.gz FMXCTDZVHOJDQS-JXUBOQSCSA-N 2 2 186.299 0.831 10 0 ACAELP C1=CN2C=C3[NH2+]C=CN3C=C2[NH2+]1 100307974 166082133 /nfs/dbraw/zinc/08/21/33/166082133.db2.gz KCZXSWOWBHATGQ-UHFFFAOYSA-N 2 2 160.180 0.371 10 0 ACAELP COc1cc(N2CC(C[NH3+])C2)cc[nH+]1 133307417 343915451 /nfs/dbraw/zinc/91/54/51/343915451.db2.gz MRMSYGBUFRCAFN-UHFFFAOYSA-N 2 2 193.250 0.485 10 0 ACAELP C=Cn1cc[nH+]c1CC[NH3+] 75845514 166226262 /nfs/dbraw/zinc/22/62/62/166226262.db2.gz YNIGAXXTMQLPBC-UHFFFAOYSA-N 2 2 137.186 0.485 10 0 ACAELP CC(=[NH2+])N1CC[NH+](C)CC1 39078819 166229701 /nfs/dbraw/zinc/22/97/01/166229701.db2.gz IVLGPDTVHMWODO-UHFFFAOYSA-N 2 2 141.218 0.231 10 0 ACAELP CC(=[NH2+])NCCCc1c[nH]c[nH+]1 28004976 166231048 /nfs/dbraw/zinc/23/10/48/166231048.db2.gz ZBCWTLICDDQSBT-UHFFFAOYSA-N 2 2 166.228 0.929 10 0 ACAELP CC(=[NH2+])NCCCc1c[nH+]c[nH]1 28004976 166231050 /nfs/dbraw/zinc/23/10/50/166231050.db2.gz ZBCWTLICDDQSBT-UHFFFAOYSA-N 2 2 166.228 0.929 10 0 ACAELP CC(=[NH2+])NCCc1c[nH]c[nH+]1 27999682 166231172 /nfs/dbraw/zinc/23/11/72/166231172.db2.gz ZWEXRNMMJULMTK-UHFFFAOYSA-N 2 2 152.201 0.539 10 0 ACAELP CC(=[NH2+])NCCc1c[nH+]c[nH]1 27999682 166231174 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/nfs/dbraw/zinc/39/46/52/166394652.db2.gz GPSCZADRYDYTAE-UWVGGRQHSA-N 2 2 198.310 0.977 10 0 ACAELP CC(C)(C[NH3+])[N@H+]1CCO[C@H]2CCC[C@@H]21 43424661 166394655 /nfs/dbraw/zinc/39/46/55/166394655.db2.gz GPSCZADRYDYTAE-UWVGGRQHSA-N 2 2 198.310 0.977 10 0 ACAELP CC(C)(C[NH3+])[N@@H+]1CCO[C@@H]2CCC[C@@H]21 43424662 166394663 /nfs/dbraw/zinc/39/46/63/166394663.db2.gz GPSCZADRYDYTAE-VHSXEESVSA-N 2 2 198.310 0.977 10 0 ACAELP CC(C)(C[NH3+])[N@H+]1CCO[C@@H]2CCC[C@@H]21 43424662 166394666 /nfs/dbraw/zinc/39/46/66/166394666.db2.gz GPSCZADRYDYTAE-VHSXEESVSA-N 2 2 198.310 0.977 10 0 ACAELP C[C@@H](CO)[NH2+][C@H]1CCC[N@H+](C)C1 133703660 343925056 /nfs/dbraw/zinc/92/50/56/343925056.db2.gz JGNZUVNDEPXOJE-IUCAKERBSA-N 2 2 172.272 0.051 10 0 ACAELP CC(C)(CO)[NH2+]CCCn1cc[nH+]c1 49327951 166396044 /nfs/dbraw/zinc/39/60/44/166396044.db2.gz XAGHNBFMQOGGFD-UHFFFAOYSA-N 2 2 197.282 0.634 10 0 ACAELP CC(C)[C@](C)(C[NH3+])[NH+]1CCOCC1 26510860 166621595 /nfs/dbraw/zinc/62/15/95/166621595.db2.gz 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20054320 167210368 /nfs/dbraw/zinc/21/03/68/167210368.db2.gz DYMDVFCBUXBUOW-JTQLQIEISA-N 2 2 186.299 0.707 10 0 ACAELP CC[N@@H+]1CC[NH2+]C[C@](C)(F)C1 334997615 167212791 /nfs/dbraw/zinc/21/27/91/167212791.db2.gz DREMSZTVOAADEV-QMMMGPOBSA-N 2 2 160.236 0.640 10 0 ACAELP CC[N@H+]1CC[NH2+]C[C@](C)(F)C1 334997615 167212796 /nfs/dbraw/zinc/21/27/96/167212796.db2.gz DREMSZTVOAADEV-QMMMGPOBSA-N 2 2 160.236 0.640 10 0 ACAELP CC[NH+]1CCN(C(C)=[NH2+])CC1 39080749 167213241 /nfs/dbraw/zinc/21/32/41/167213241.db2.gz MDHCSSJMKPOLIN-UHFFFAOYSA-N 2 2 155.245 0.621 10 0 ACAELP CC[N@@H+]1CC[NH2+]C[C@@](C)(F)C1 334997596 167213377 /nfs/dbraw/zinc/21/33/77/167213377.db2.gz DREMSZTVOAADEV-MRVPVSSYSA-N 2 2 160.236 0.640 10 0 ACAELP CC[N@H+]1CC[NH2+]C[C@@](C)(F)C1 334997596 167213381 /nfs/dbraw/zinc/21/33/81/167213381.db2.gz DREMSZTVOAADEV-MRVPVSSYSA-N 2 2 160.236 0.640 10 0 ACAELP CCN1CC[NH+](CC(C)(C)C[NH3+])CC1 49812065 167213817 /nfs/dbraw/zinc/21/38/17/167213817.db2.gz HIXMBXPCXUFWOE-UHFFFAOYSA-N 2 2 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307207379 167221938 /nfs/dbraw/zinc/22/19/38/167221938.db2.gz INSAKYDUWFUUQJ-QWRGUYRKSA-N 2 2 198.310 0.849 10 0 ACAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)C1 307207380 167222271 /nfs/dbraw/zinc/22/22/71/167222271.db2.gz INSAKYDUWFUUQJ-WDEREUQCSA-N 2 2 198.310 0.849 10 0 ACAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)C1 307207380 167222273 /nfs/dbraw/zinc/22/22/73/167222273.db2.gz INSAKYDUWFUUQJ-WDEREUQCSA-N 2 2 198.310 0.849 10 0 ACAELP CC[N@@H+]1CCc2nc(C[NH3+])sc2C1 19817776 167224306 /nfs/dbraw/zinc/22/43/06/167224306.db2.gz IEHRGAAFDNWLRI-UHFFFAOYSA-N 2 2 197.307 0.980 10 0 ACAELP CC[N@H+]1CCc2nc(C[NH3+])sc2C1 19817776 167224307 /nfs/dbraw/zinc/22/43/07/167224307.db2.gz IEHRGAAFDNWLRI-UHFFFAOYSA-N 2 2 197.307 0.980 10 0 ACAELP CC[N@@H+]1CC[C@H]2[NH2+]CCO[C@@H]2C1 170663889 167224420 /nfs/dbraw/zinc/22/44/20/167224420.db2.gz PNEKHLPPHFHBOC-RKDXNWHRSA-N 2 2 170.256 0.069 10 0 ACAELP CC[N@H+]1CC[C@H]2[NH2+]CCO[C@@H]2C1 170663889 167224424 /nfs/dbraw/zinc/22/44/24/167224424.db2.gz PNEKHLPPHFHBOC-RKDXNWHRSA-N 2 2 170.256 0.069 10 0 ACAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC2)C1 306178153 167224731 /nfs/dbraw/zinc/22/47/31/167224731.db2.gz GZOSMXVGPPTCSZ-UWVGGRQHSA-N 2 2 184.283 0.459 10 0 ACAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC2)C1 306178153 167224736 /nfs/dbraw/zinc/22/47/36/167224736.db2.gz GZOSMXVGPPTCSZ-UWVGGRQHSA-N 2 2 184.283 0.459 10 0 ACAELP CC[N@@H+]1C[C@@H](C)O[C@H](C[NH3+])C1 71495617 167226151 /nfs/dbraw/zinc/22/61/51/167226151.db2.gz ATFMKYPTOZIBII-HTQZYQBOSA-N 2 2 158.245 0.054 10 0 ACAELP CC[N@H+]1C[C@@H](C)O[C@H](C[NH3+])C1 71495617 167226152 /nfs/dbraw/zinc/22/61/52/167226152.db2.gz ATFMKYPTOZIBII-HTQZYQBOSA-N 2 2 158.245 0.054 10 0 ACAELP CC[N@@H+]1C[C@H](C)O[C@H](C[NH3+])C1 71495616 167227138 /nfs/dbraw/zinc/22/71/38/167227138.db2.gz ATFMKYPTOZIBII-JGVFFNPUSA-N 2 2 158.245 0.054 10 0 ACAELP CC[N@H+]1C[C@H](C)O[C@H](C[NH3+])C1 71495616 167227140 /nfs/dbraw/zinc/22/71/40/167227140.db2.gz ATFMKYPTOZIBII-JGVFFNPUSA-N 2 2 158.245 0.054 10 0 ACAELP CCNC(=[NH2+])N[C@@H](C)Cn1cc[nH+]c1 52044746 167230826 /nfs/dbraw/zinc/23/08/26/167230826.db2.gz ZQZJXBQJGWBCEA-QMMMGPOBSA-N 2 2 195.270 0.405 10 0 ACAELP CCNC(=[NH2+])N1CC[NH+](C2CC2)CC1 52039123 167231061 /nfs/dbraw/zinc/23/10/61/167231061.db2.gz QULALRLSPTUUCS-UHFFFAOYSA-N 2 2 196.298 0.311 10 0 ACAELP CCNC(=[NH2+])N[C@H](C)Cn1cc[nH+]c1 52044748 167231485 /nfs/dbraw/zinc/23/14/85/167231485.db2.gz ZQZJXBQJGWBCEA-MRVPVSSYSA-N 2 2 195.270 0.405 10 0 ACAELP CC[NH2+]C1(CO)CC[NH+](C)CC1 38120226 167257817 /nfs/dbraw/zinc/25/78/17/167257817.db2.gz AMDQXGZAKPTOJZ-UHFFFAOYSA-N 2 2 172.272 0.053 10 0 ACAELP CC[NH2+]CCC[N@@H+]1CCOC[C@@H]1C 42409571 167261791 /nfs/dbraw/zinc/26/17/91/167261791.db2.gz OKJKZVWMQDCFMR-JTQLQIEISA-N 2 2 186.299 0.707 10 0 ACAELP CC[NH2+]CCC[N@H+]1CCOC[C@@H]1C 42409571 167261793 /nfs/dbraw/zinc/26/17/93/167261793.db2.gz OKJKZVWMQDCFMR-JTQLQIEISA-N 2 2 186.299 0.707 10 0 ACAELP CC[NH2+]CCC[N@@H+]1CCO[C@H](C)C1 42409227 167262234 /nfs/dbraw/zinc/26/22/34/167262234.db2.gz BQQPAKGFVWXNOH-SNVBAGLBSA-N 2 2 186.299 0.707 10 0 ACAELP CC[NH2+]CCC[N@H+]1CCO[C@H](C)C1 42409227 167262236 /nfs/dbraw/zinc/26/22/36/167262236.db2.gz BQQPAKGFVWXNOH-SNVBAGLBSA-N 2 2 186.299 0.707 10 0 ACAELP CC[NH2+]CCC[N@@H+]1CCOC[C@H]1C 42409572 167262583 /nfs/dbraw/zinc/26/25/83/167262583.db2.gz OKJKZVWMQDCFMR-SNVBAGLBSA-N 2 2 186.299 0.707 10 0 ACAELP CC[NH2+]CCC[N@H+]1CCOC[C@H]1C 42409572 167262587 /nfs/dbraw/zinc/26/25/87/167262587.db2.gz OKJKZVWMQDCFMR-SNVBAGLBSA-N 2 2 186.299 0.707 10 0 ACAELP CC[NH2+]CC(C)(C)[NH+](C)C 20125909 167262726 /nfs/dbraw/zinc/26/27/26/167262726.db2.gz JBEUJQIOVNTREB-UHFFFAOYSA-N 2 2 144.262 0.936 10 0 ACAELP CC[NH2+]CC[NH2+]C[C@H]1CCCO1 44651730 167264488 /nfs/dbraw/zinc/26/44/88/167264488.db2.gz UDVUALVRWJQVOX-SECBINFHSA-N 2 2 172.272 0.365 10 0 ACAELP CC[NH2+]CC[NH2+]Cc1ccncc1 49474618 167264626 /nfs/dbraw/zinc/26/46/26/167264626.db2.gz WDNIFXUJZNXFSF-UHFFFAOYSA-N 2 2 179.267 0.781 10 0 ACAELP CC[NH2+]CC[N@H+](CC)[C@@H](C)COC 44415898 167264636 /nfs/dbraw/zinc/26/46/36/167264636.db2.gz JZANMOYMZUVADE-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP CC[NH2+]CC[N@@H+](CC)[C@@H](C)COC 44415898 167264637 /nfs/dbraw/zinc/26/46/37/167264637.db2.gz JZANMOYMZUVADE-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP CC[NH2+]CC[N@H+](C)C[C@@H]1CCOC1 45147291 167264640 /nfs/dbraw/zinc/26/46/40/167264640.db2.gz SHXARONBZQBDLC-JTQLQIEISA-N 2 2 186.299 0.564 10 0 ACAELP CC[NH2+]CC[N@@H+](C)C[C@@H]1CCOC1 45147291 167264642 /nfs/dbraw/zinc/26/46/42/167264642.db2.gz SHXARONBZQBDLC-JTQLQIEISA-N 2 2 186.299 0.564 10 0 ACAELP CC[NH2+]CC[N@H+](CC)CCCOC 42367796 167264645 /nfs/dbraw/zinc/26/46/45/167264645.db2.gz QDPIPELVEGIVCZ-UHFFFAOYSA-N 2 2 188.315 0.954 10 0 ACAELP CC[NH2+]CC[N@@H+](CC)CCCOC 42367796 167264646 /nfs/dbraw/zinc/26/46/46/167264646.db2.gz QDPIPELVEGIVCZ-UHFFFAOYSA-N 2 2 188.315 0.954 10 0 ACAELP CC[NH2+]CC[NH2+][C@@H]1CC1(C)C 45137844 167264655 /nfs/dbraw/zinc/26/46/55/167264655.db2.gz 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COCCC[NH2+][C@@H](C)Cn1cc[nH+]c1 49235076 168155807 /nfs/dbraw/zinc/15/58/07/168155807.db2.gz XHJHPTKTGVARLN-JTQLQIEISA-N 2 2 197.282 0.898 10 0 ACAELP COCCC[NH2+]CC[NH+]1CCCC1 41203592 168155886 /nfs/dbraw/zinc/15/58/86/168155886.db2.gz FVRJZFWBQRJUAI-UHFFFAOYSA-N 2 2 186.299 0.708 10 0 ACAELP COCCC[NH2+][C@H]1C[NH+]2CCC1CC2 26516740 168155959 /nfs/dbraw/zinc/15/59/59/168155959.db2.gz AESQJYASVMCYIG-NSHDSACASA-N 2 2 198.310 0.707 10 0 ACAELP COCCC[NH2+]C[C@H](C)[NH+](C)C 45107746 168155968 /nfs/dbraw/zinc/15/59/68/168155968.db2.gz TXXXCIGXXFPGEX-VIFPVBQESA-N 2 2 174.288 0.563 10 0 ACAELP COCCC[NH2+]CCc1[nH+]ccn1C 45134601 168156257 /nfs/dbraw/zinc/15/62/57/168156257.db2.gz LIYBXXJYLKZSPR-UHFFFAOYSA-N 2 2 197.282 0.589 10 0 ACAELP COCCC[NH2+]CCn1cc[nH+]c1 42221948 168156482 /nfs/dbraw/zinc/15/64/82/168156482.db2.gz BDWHINXGOJNKTG-UHFFFAOYSA-N 2 2 183.255 0.509 10 0 ACAELP COCCC[NH2+]CCCn1cc[nH+]c1 49327921 168156543 /nfs/dbraw/zinc/15/65/43/168156543.db2.gz MSKDRGRMWZVIBT-UHFFFAOYSA-N 2 2 197.282 0.899 10 0 ACAELP COCCC[NH2+][C@H](C)Cn1cc[nH+]c1 49235077 168156662 /nfs/dbraw/zinc/15/66/62/168156662.db2.gz XHJHPTKTGVARLN-SNVBAGLBSA-N 2 2 197.282 0.898 10 0 ACAELP COCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 44721365 168157078 /nfs/dbraw/zinc/15/70/78/168157078.db2.gz XRJAMVVSTVSMJR-SNVBAGLBSA-N 2 2 198.310 0.849 10 0 ACAELP COCCC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 44721365 168157080 /nfs/dbraw/zinc/15/70/80/168157080.db2.gz XRJAMVVSTVSMJR-SNVBAGLBSA-N 2 2 198.310 0.849 10 0 ACAELP COCCC[NH2+][C@@H]1C[NH+]2CCC1CC2 26516738 168157093 /nfs/dbraw/zinc/15/70/93/168157093.db2.gz AESQJYASVMCYIG-LLVKDONJSA-N 2 2 198.310 0.707 10 0 ACAELP COCCC[NH2+]C[C@@H](C)[NH+](C)C 45107747 168157144 /nfs/dbraw/zinc/15/71/44/168157144.db2.gz TXXXCIGXXFPGEX-SECBINFHSA-N 2 2 174.288 0.563 10 0 ACAELP COCCC[NH2+]CC[NH+](C)C 36923620 168157158 /nfs/dbraw/zinc/15/71/58/168157158.db2.gz WQZQNPCZFQKYHB-UHFFFAOYSA-N 2 2 160.261 0.174 10 0 ACAELP COCCCn1c[nH+]c(CC[NH3+])c1 87016550 168158044 /nfs/dbraw/zinc/15/80/44/168158044.db2.gz FKSPGNDCMHMEOV-UHFFFAOYSA-N 2 2 183.255 0.421 10 0 ACAELP COCC[N@H+](C)C(C)(C)C[NH3+] 42458806 168158580 /nfs/dbraw/zinc/15/85/80/168158580.db2.gz MSXMDMCEWRBLMR-UHFFFAOYSA-N 2 2 160.261 0.302 10 0 ACAELP COCC[N@@H+](C)C(C)(C)C[NH3+] 42458806 168158583 /nfs/dbraw/zinc/15/85/83/168158583.db2.gz MSXMDMCEWRBLMR-UHFFFAOYSA-N 2 2 160.261 0.302 10 0 ACAELP COCC[N@H+](C)[C@H](C)[C@@H](C)[NH3+] 42459098 168159240 /nfs/dbraw/zinc/15/92/40/168159240.db2.gz CRWGDKVCHDMFTN-HTQZYQBOSA-N 2 2 160.261 0.300 10 0 ACAELP COCC[N@@H+](C)[C@H](C)[C@@H](C)[NH3+] 42459098 168159244 /nfs/dbraw/zinc/15/92/44/168159244.db2.gz CRWGDKVCHDMFTN-HTQZYQBOSA-N 2 2 160.261 0.300 10 0 ACAELP COCC[N@H+](C)C[C@H]([NH3+])C(C)C 42460264 168159320 /nfs/dbraw/zinc/15/93/20/168159320.db2.gz ACVZDMFTEURGAT-VIFPVBQESA-N 2 2 174.288 0.548 10 0 ACAELP COCC[N@@H+](C)C[C@H]([NH3+])C(C)C 42460264 168159323 /nfs/dbraw/zinc/15/93/23/168159323.db2.gz ACVZDMFTEURGAT-VIFPVBQESA-N 2 2 174.288 0.548 10 0 ACAELP COCC[N@H+](C)C[C@H]([NH3+])C(C)(C)C 42458926 168159630 /nfs/dbraw/zinc/15/96/30/168159630.db2.gz QHAWPZVNEINFPE-VIFPVBQESA-N 2 2 188.315 0.938 10 0 ACAELP COCC[N@@H+](C)C[C@H]([NH3+])C(C)(C)C 42458926 168159632 /nfs/dbraw/zinc/15/96/32/168159632.db2.gz QHAWPZVNEINFPE-VIFPVBQESA-N 2 2 188.315 0.938 10 0 ACAELP COCC[N@H+](C)C[C@@H]([NH3+])C(C)C 42460262 168159767 /nfs/dbraw/zinc/15/97/67/168159767.db2.gz ACVZDMFTEURGAT-SECBINFHSA-N 2 2 174.288 0.548 10 0 ACAELP COCC[N@@H+](C)C[C@@H]([NH3+])C(C)C 42460262 168159769 /nfs/dbraw/zinc/15/97/69/168159769.db2.gz ACVZDMFTEURGAT-SECBINFHSA-N 2 2 174.288 0.548 10 0 ACAELP COCC[N@H+](C[C@H](C)[NH3+])C1CC1 49028177 168159811 /nfs/dbraw/zinc/15/98/11/168159811.db2.gz BTIVNKBPZZKJKE-QMMMGPOBSA-N 2 2 172.272 0.444 10 0 ACAELP COCC[N@@H+](C[C@H](C)[NH3+])C1CC1 49028177 168159812 /nfs/dbraw/zinc/15/98/12/168159812.db2.gz BTIVNKBPZZKJKE-QMMMGPOBSA-N 2 2 172.272 0.444 10 0 ACAELP COCC[N@@H+](CC(N)=[NH2+])CC(C)C 49736314 168159838 /nfs/dbraw/zinc/15/98/38/168159838.db2.gz CPUATHFCCHNVAJ-UHFFFAOYSA-N 2 2 187.287 0.527 10 0 ACAELP COCC[N@H+](CC(N)=[NH2+])CC(C)C 49736314 168159840 /nfs/dbraw/zinc/15/98/40/168159840.db2.gz CPUATHFCCHNVAJ-UHFFFAOYSA-N 2 2 187.287 0.527 10 0 ACAELP COCC[N@H+](C)[C@@H](C[NH3+])C(C)(C)C 42458598 168159907 /nfs/dbraw/zinc/15/99/07/168159907.db2.gz STHZFXRTWSRIBN-VIFPVBQESA-N 2 2 188.315 0.938 10 0 ACAELP COCC[N@@H+](C)[C@@H](C[NH3+])C(C)(C)C 42458598 168159910 /nfs/dbraw/zinc/15/99/10/168159910.db2.gz STHZFXRTWSRIBN-VIFPVBQESA-N 2 2 188.315 0.938 10 0 ACAELP COCC[N@H+](C)C[C@H]([NH3+])CC(C)C 42460260 168159980 /nfs/dbraw/zinc/15/99/80/168159980.db2.gz WEVLUMCPFLSAIH-SNVBAGLBSA-N 2 2 188.315 0.938 10 0 ACAELP COCC[N@@H+](C)C[C@H]([NH3+])CC(C)C 42460260 168159983 /nfs/dbraw/zinc/15/99/83/168159983.db2.gz WEVLUMCPFLSAIH-SNVBAGLBSA-N 2 2 188.315 0.938 10 0 ACAELP COCC[N@H+](C)[C@@H](C[NH3+])CC(C)C 42458678 168160009 /nfs/dbraw/zinc/16/00/09/168160009.db2.gz QQBODNQCOQNEGT-SNVBAGLBSA-N 2 2 188.315 0.938 10 0 ACAELP COCC[N@@H+](C)[C@@H](C[NH3+])CC(C)C 42458678 168160010 /nfs/dbraw/zinc/16/00/10/168160010.db2.gz QQBODNQCOQNEGT-SNVBAGLBSA-N 2 2 188.315 0.938 10 0 ACAELP COCC[N@H+](C[C@@H](C)[NH3+])C1CC1 49028180 168160027 /nfs/dbraw/zinc/16/00/27/168160027.db2.gz BTIVNKBPZZKJKE-MRVPVSSYSA-N 2 2 172.272 0.444 10 0 ACAELP COCC[N@@H+](C[C@@H](C)[NH3+])C1CC1 49028180 168160029 /nfs/dbraw/zinc/16/00/29/168160029.db2.gz BTIVNKBPZZKJKE-MRVPVSSYSA-N 2 2 172.272 0.444 10 0 ACAELP COCC[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 42459102 168160102 /nfs/dbraw/zinc/16/01/02/168160102.db2.gz CRWGDKVCHDMFTN-SFYZADRCSA-N 2 2 160.261 0.300 10 0 ACAELP COCC[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 42459102 168160104 /nfs/dbraw/zinc/16/01/04/168160104.db2.gz CRWGDKVCHDMFTN-SFYZADRCSA-N 2 2 160.261 0.300 10 0 ACAELP COCC[N@H+](C)C[C@@H]([NH3+])C(C)(C)C 42458924 168160191 /nfs/dbraw/zinc/16/01/91/168160191.db2.gz QHAWPZVNEINFPE-SECBINFHSA-N 2 2 188.315 0.938 10 0 ACAELP COCC[N@@H+](C)C[C@@H]([NH3+])C(C)(C)C 42458924 168160193 /nfs/dbraw/zinc/16/01/93/168160193.db2.gz QHAWPZVNEINFPE-SECBINFHSA-N 2 2 188.315 0.938 10 0 ACAELP COCC[N@H+](C)[C@H](C[NH3+])C(C)(C)C 42458596 168160271 /nfs/dbraw/zinc/16/02/71/168160271.db2.gz STHZFXRTWSRIBN-SECBINFHSA-N 2 2 188.315 0.938 10 0 ACAELP COCC[N@@H+](C)[C@H](C[NH3+])C(C)(C)C 42458596 168160272 /nfs/dbraw/zinc/16/02/72/168160272.db2.gz STHZFXRTWSRIBN-SECBINFHSA-N 2 2 188.315 0.938 10 0 ACAELP COCC[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 43501345 168160351 /nfs/dbraw/zinc/16/03/51/168160351.db2.gz JZZLMBRABOYWDH-LLVKDONJSA-N 2 2 198.310 0.849 10 0 ACAELP COCC[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 43501345 168160354 /nfs/dbraw/zinc/16/03/54/168160354.db2.gz JZZLMBRABOYWDH-LLVKDONJSA-N 2 2 198.310 0.849 10 0 ACAELP COCC[N@H+](C)[C@H]1CCC[NH2+]C1 42308520 168160874 /nfs/dbraw/zinc/16/08/74/168160874.db2.gz XNTCZGJHXUDYFU-VIFPVBQESA-N 2 2 172.272 0.317 10 0 ACAELP COCC[N@@H+](C)[C@H]1CCC[NH2+]C1 42308520 168160875 /nfs/dbraw/zinc/16/08/75/168160875.db2.gz XNTCZGJHXUDYFU-VIFPVBQESA-N 2 2 172.272 0.317 10 0 ACAELP COCC[N@H+](C)C[C@@H]1CCCC[NH2+]1 42460247 168160955 /nfs/dbraw/zinc/16/09/55/168160955.db2.gz CLPUXVLKCSKONM-JTQLQIEISA-N 2 2 186.299 0.707 10 0 ACAELP COCC[N@@H+](C)C[C@@H]1CCCC[NH2+]1 42460247 168160956 /nfs/dbraw/zinc/16/09/56/168160956.db2.gz CLPUXVLKCSKONM-JTQLQIEISA-N 2 2 186.299 0.707 10 0 ACAELP COCC[N@H+](C)[C@@H]1CCC[NH2+]C1 42308518 168161135 /nfs/dbraw/zinc/16/11/35/168161135.db2.gz XNTCZGJHXUDYFU-SECBINFHSA-N 2 2 172.272 0.317 10 0 ACAELP COCC[N@@H+](C)[C@@H]1CCC[NH2+]C1 42308518 168161138 /nfs/dbraw/zinc/16/11/38/168161138.db2.gz XNTCZGJHXUDYFU-SECBINFHSA-N 2 2 172.272 0.317 10 0 ACAELP COCC[N@H+](C)[C@H]1CCCC[NH2+]C1 54135438 168161169 /nfs/dbraw/zinc/16/11/69/168161169.db2.gz NVNRRSHAFZQQTK-JTQLQIEISA-N 2 2 186.299 0.707 10 0 ACAELP COCC[N@@H+](C)[C@H]1CCCC[NH2+]C1 54135438 168161172 /nfs/dbraw/zinc/16/11/72/168161172.db2.gz NVNRRSHAFZQQTK-JTQLQIEISA-N 2 2 186.299 0.707 10 0 ACAELP COCC[N@H+](C)[C@H](C[NH3+])CC(C)C 42458676 168161194 /nfs/dbraw/zinc/16/11/94/168161194.db2.gz QQBODNQCOQNEGT-JTQLQIEISA-N 2 2 188.315 0.938 10 0 ACAELP COCC[N@@H+](C)[C@H](C[NH3+])CC(C)C 42458676 168161197 /nfs/dbraw/zinc/16/11/97/168161197.db2.gz QQBODNQCOQNEGT-JTQLQIEISA-N 2 2 188.315 0.938 10 0 ACAELP COCC[N@H+](C)C[C@@H]([NH3+])CC(C)C 42460257 168161242 /nfs/dbraw/zinc/16/12/42/168161242.db2.gz WEVLUMCPFLSAIH-JTQLQIEISA-N 2 2 188.315 0.938 10 0 ACAELP COCC[N@@H+](C)C[C@@H]([NH3+])CC(C)C 42460257 168161245 /nfs/dbraw/zinc/16/12/45/168161245.db2.gz WEVLUMCPFLSAIH-JTQLQIEISA-N 2 2 188.315 0.938 10 0 ACAELP COCC[N@H+](C)[C@@H]1CCCC[NH2+]C1 54135434 168161746 /nfs/dbraw/zinc/16/17/46/168161746.db2.gz NVNRRSHAFZQQTK-SNVBAGLBSA-N 2 2 186.299 0.707 10 0 ACAELP COCC[N@@H+](C)[C@@H]1CCCC[NH2+]C1 54135434 168161747 /nfs/dbraw/zinc/16/17/47/168161747.db2.gz NVNRRSHAFZQQTK-SNVBAGLBSA-N 2 2 186.299 0.707 10 0 ACAELP COCC[N@H+](C)C[C@H]1CCCC[NH2+]1 42460249 168161770 /nfs/dbraw/zinc/16/17/70/168161770.db2.gz CLPUXVLKCSKONM-SNVBAGLBSA-N 2 2 186.299 0.707 10 0 ACAELP COCC[N@@H+](C)C[C@H]1CCCC[NH2+]1 42460249 168161773 /nfs/dbraw/zinc/16/17/73/168161773.db2.gz CLPUXVLKCSKONM-SNVBAGLBSA-N 2 2 186.299 0.707 10 0 ACAELP COCC[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 43501346 168162043 /nfs/dbraw/zinc/16/20/43/168162043.db2.gz JZZLMBRABOYWDH-NSHDSACASA-N 2 2 198.310 0.849 10 0 ACAELP COCC[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 43501346 168162044 /nfs/dbraw/zinc/16/20/44/168162044.db2.gz JZZLMBRABOYWDH-NSHDSACASA-N 2 2 198.310 0.849 10 0 ACAELP COCC[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C 40740179 168162370 /nfs/dbraw/zinc/16/23/70/168162370.db2.gz QUSJUHVIVXULRU-IUCAKERBSA-N 2 2 172.272 0.444 10 0 ACAELP COCC[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C 40740179 168162372 /nfs/dbraw/zinc/16/23/72/168162372.db2.gz QUSJUHVIVXULRU-IUCAKERBSA-N 2 2 172.272 0.444 10 0 ACAELP COCC[N@@H+]1C[C@H]([NH3+])CC[C@H]1C 40740181 168162542 /nfs/dbraw/zinc/16/25/42/168162542.db2.gz QUSJUHVIVXULRU-RKDXNWHRSA-N 2 2 172.272 0.444 10 0 ACAELP COCC[N@H+]1C[C@H]([NH3+])CC[C@H]1C 40740181 168162543 /nfs/dbraw/zinc/16/25/43/168162543.db2.gz QUSJUHVIVXULRU-RKDXNWHRSA-N 2 2 172.272 0.444 10 0 ACAELP COCC[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C 40740183 168162559 /nfs/dbraw/zinc/16/25/59/168162559.db2.gz QUSJUHVIVXULRU-DTWKUNHWSA-N 2 2 172.272 0.444 10 0 ACAELP COCC[N@H+]1C[C@H]([NH3+])CC[C@@H]1C 40740183 168162561 /nfs/dbraw/zinc/16/25/61/168162561.db2.gz QUSJUHVIVXULRU-DTWKUNHWSA-N 2 2 172.272 0.444 10 0 ACAELP COCC[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C 40740177 168164070 /nfs/dbraw/zinc/16/40/70/168164070.db2.gz QUSJUHVIVXULRU-BDAKNGLRSA-N 2 2 172.272 0.444 10 0 ACAELP COCC[N@H+]1C[C@@H]([NH3+])CC[C@H]1C 40740177 168164073 /nfs/dbraw/zinc/16/40/73/168164073.db2.gz QUSJUHVIVXULRU-BDAKNGLRSA-N 2 2 172.272 0.444 10 0 ACAELP COCC[NH2+]C[C@@H]([NH3+])c1ccccc1 39375873 168165381 /nfs/dbraw/zinc/16/53/81/168165381.db2.gz ZGLDCUNOZNOAPS-LLVKDONJSA-N 2 2 194.278 0.922 10 0 ACAELP COCC[NH2+]C[C@H]([NH3+])c1ccccc1 39375872 168165658 /nfs/dbraw/zinc/16/56/58/168165658.db2.gz ZGLDCUNOZNOAPS-NSHDSACASA-N 2 2 194.278 0.922 10 0 ACAELP COCC[NH2+]CCCn1cc[nH+]c1 34439480 168166031 /nfs/dbraw/zinc/16/60/31/168166031.db2.gz OLONPSJAMGZQOX-UHFFFAOYSA-N 2 2 183.255 0.509 10 0 ACAELP COCC[NH2+]CC[NH+]1CCCC1 41168581 168166449 /nfs/dbraw/zinc/16/64/49/168166449.db2.gz BBXYBBRRAFSTRF-UHFFFAOYSA-N 2 2 172.272 0.318 10 0 ACAELP COCC[NH2+]CCn1cc[nH+]c1 42221672 168166525 /nfs/dbraw/zinc/16/65/25/168166525.db2.gz MVAYSDFSVIQPBO-UHFFFAOYSA-N 2 2 169.228 0.119 10 0 ACAELP COCC[NH2+]CCCCn1cc[nH+]c1 45107218 168166568 /nfs/dbraw/zinc/16/65/68/168166568.db2.gz FVWXANRNNAYVKV-UHFFFAOYSA-N 2 2 197.282 0.899 10 0 ACAELP COCC[NH2+]CCc1[nH+]ccn1C 45134554 168166824 /nfs/dbraw/zinc/16/68/24/168166824.db2.gz FLUAOAXGHHDTLN-UHFFFAOYSA-N 2 2 183.255 0.199 10 0 ACAELP COCC[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 45649904 168167987 /nfs/dbraw/zinc/16/79/87/168167987.db2.gz VYRIHNMKLSHEMH-SNVBAGLBSA-N 2 2 186.299 0.705 10 0 ACAELP COCC[NH2+][C@@H]1CC[N@H+](C(C)C)C1 45649904 168167989 /nfs/dbraw/zinc/16/79/89/168167989.db2.gz VYRIHNMKLSHEMH-SNVBAGLBSA-N 2 2 186.299 0.705 10 0 ACAELP COCC[NH2+][C@@H](C)Cn1cc[nH+]c1 49235518 168168011 /nfs/dbraw/zinc/16/80/11/168168011.db2.gz ZASBDRGDFRYXLZ-VIFPVBQESA-N 2 2 183.255 0.508 10 0 ACAELP COCC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 44722757 168168208 /nfs/dbraw/zinc/16/82/08/168168208.db2.gz YUVGPGRFXLRNJB-VIFPVBQESA-N 2 2 184.283 0.459 10 0 ACAELP COCC[NH2+][C@H]1CC[N@H+](C2CC2)C1 44722757 168168210 /nfs/dbraw/zinc/16/82/10/168168210.db2.gz YUVGPGRFXLRNJB-VIFPVBQESA-N 2 2 184.283 0.459 10 0 ACAELP COCC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 44722754 168168387 /nfs/dbraw/zinc/16/83/87/168168387.db2.gz YUVGPGRFXLRNJB-SECBINFHSA-N 2 2 184.283 0.459 10 0 ACAELP COCC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 44722754 168168390 /nfs/dbraw/zinc/16/83/90/168168390.db2.gz YUVGPGRFXLRNJB-SECBINFHSA-N 2 2 184.283 0.459 10 0 ACAELP COCC[NH2+][C@H]1CC[N@@H+](C(C)C)C1 45649902 168168444 /nfs/dbraw/zinc/16/84/44/168168444.db2.gz VYRIHNMKLSHEMH-JTQLQIEISA-N 2 2 186.299 0.705 10 0 ACAELP COCC[NH2+][C@H]1CC[N@H+](C(C)C)C1 45649902 168168445 /nfs/dbraw/zinc/16/84/45/168168445.db2.gz VYRIHNMKLSHEMH-JTQLQIEISA-N 2 2 186.299 0.705 10 0 ACAELP COCC[NH2+][C@H]1CCCC[NH2+]C1 54135157 168168515 /nfs/dbraw/zinc/16/85/15/168168515.db2.gz CKUOZTDHODRKLL-VIFPVBQESA-N 2 2 172.272 0.365 10 0 ACAELP COCC[NH2+][C@H](C)Cn1cc[nH+]c1 49235520 168168754 /nfs/dbraw/zinc/16/87/54/168168754.db2.gz ZASBDRGDFRYXLZ-SECBINFHSA-N 2 2 183.255 0.508 10 0 ACAELP COCC[NH2+][C@@H]1CCCC[NH2+]C1 54135155 168168775 /nfs/dbraw/zinc/16/87/75/168168775.db2.gz CKUOZTDHODRKLL-SECBINFHSA-N 2 2 172.272 0.365 10 0 ACAELP COCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 45038063 168173182 /nfs/dbraw/zinc/17/31/82/168173182.db2.gz HJVWQKICIIQWCW-NXEZZACHSA-N 2 2 186.299 0.705 10 0 ACAELP COCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 45038063 168173183 /nfs/dbraw/zinc/17/31/83/168173183.db2.gz HJVWQKICIIQWCW-NXEZZACHSA-N 2 2 186.299 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ACAELP C[C@@H](C[NH2+]CCCCO)[NH+](C)C 45107425 168349333 /nfs/dbraw/zinc/34/93/33/168349333.db2.gz GGJSCVMBVVMOKV-VIFPVBQESA-N 2 2 174.288 0.299 10 0 ACAELP C[C@@H](C[NH2+]CCn1cccn1)[NH+](C)C 45107413 168349393 /nfs/dbraw/zinc/34/93/93/168349393.db2.gz VVEBWEXZKDMBDN-JTQLQIEISA-N 2 2 196.298 0.423 10 0 ACAELP C[C@@H](CO)[NH2+]C[C@@H]1CCCC[N@@H+]1C 54240672 168349873 /nfs/dbraw/zinc/34/98/73/168349873.db2.gz URUHWTMYWCZPNO-UWVGGRQHSA-N 2 2 186.299 0.441 10 0 ACAELP C[C@@H](CO)[NH2+]C[C@@H]1CCCC[N@H+]1C 54240672 168349874 /nfs/dbraw/zinc/34/98/74/168349874.db2.gz URUHWTMYWCZPNO-UWVGGRQHSA-N 2 2 186.299 0.441 10 0 ACAELP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 61980568 168349973 /nfs/dbraw/zinc/34/99/73/168349973.db2.gz NDTBMYDEIGBGNH-DTWKUNHWSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 61980568 168349975 /nfs/dbraw/zinc/34/99/75/168349975.db2.gz NDTBMYDEIGBGNH-DTWKUNHWSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H](CO)[NH2+]CCCn1cc[nH+]c1 49327957 168350696 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WGJPWZMJJTUGFA-JTQLQIEISA-N 2 2 197.282 0.634 10 0 ACAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC(C)(C)O 49235351 168355864 /nfs/dbraw/zinc/35/58/64/168355864.db2.gz BUSHEWBKEHXORL-VIFPVBQESA-N 2 2 197.282 0.632 10 0 ACAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCN(C)C 49235563 168356866 /nfs/dbraw/zinc/35/68/66/168356866.db2.gz IOKOZKPLMUDRCK-JTQLQIEISA-N 2 2 196.298 0.423 10 0 ACAELP C[C@@H]([NH3+])C1=CSC2=[NH+]CCCN12 11850510 168360058 /nfs/dbraw/zinc/36/00/58/168360058.db2.gz BYTNZAVXWFTAGL-ZCFIWIBFSA-N 2 2 183.280 0.984 10 0 ACAELP C[C@@H]([NH3+])C1=CSC2=[NH+]CCN12 11850508 168360998 /nfs/dbraw/zinc/36/09/98/168360998.db2.gz OWEVVILEVPNNTG-RXMQYKEDSA-N 2 2 169.253 0.593 10 0 ACAELP C[C@@H]([NH3+])CN1CCn2cc[nH+]c2C1 62250365 168361893 /nfs/dbraw/zinc/36/18/93/168361893.db2.gz YKKCHAUCASQGLJ-MRVPVSSYSA-N 2 2 180.255 0.046 10 0 ACAELP C[C@@H]([NH3+])CC[N@H+](C)C1CC[NH+](C)CC1 37401879 168362125 /nfs/dbraw/zinc/36/21/25/168362125.db2.gz HMNLVYDZEFJIPK-SNVBAGLBSA-N 3 2 199.342 0.750 10 0 ACAELP C[C@@H]([NH3+])CC[N@@H+](C)C1CC[NH+](C)CC1 37401879 168362129 /nfs/dbraw/zinc/36/21/29/168362129.db2.gz HMNLVYDZEFJIPK-SNVBAGLBSA-N 3 2 199.342 0.750 10 0 ACAELP C[C@@H]([NH3+])CC[N@@H+]1CCn2ccnc2C1 62250642 168362164 /nfs/dbraw/zinc/36/21/64/168362164.db2.gz QZCKBKADBQOYAO-SECBINFHSA-N 2 2 194.282 0.436 10 0 ACAELP C[C@@H]([NH3+])CC[N@H+]1CCn2ccnc2C1 62250642 168362165 /nfs/dbraw/zinc/36/21/65/168362165.db2.gz QZCKBKADBQOYAO-SECBINFHSA-N 2 2 194.282 0.436 10 0 ACAELP C[C@@H]([NH3+])CC[NH+]1CCC([NH+](C)C)CC1 36192018 168362719 /nfs/dbraw/zinc/36/27/19/168362719.db2.gz JJIYEYOVPPSXGD-SNVBAGLBSA-N 3 2 199.342 0.750 10 0 ACAELP C[C@@H]([NH3+])CC[NH2+]Cc1nccs1 49538996 168363366 /nfs/dbraw/zinc/36/33/66/168363366.db2.gz BLLOKLLIDRBPNC-SSDOTTSWSA-N 2 2 185.296 0.970 10 0 ACAELP C[C@@H]([NH3+])CCn1cc[nH+]c1 20429228 168363493 /nfs/dbraw/zinc/36/34/93/168363493.db2.gz VYPUWSXXSGOTFW-SSDOTTSWSA-N 2 2 139.202 0.620 10 0 ACAELP C[C@@H]([NH3+])Cc1cn(C)c[nH+]1 34179285 168364319 /nfs/dbraw/zinc/36/43/19/168364319.db2.gz HMKKPVLTZFFRFB-ZCFIWIBFSA-N 2 2 139.202 0.310 10 0 ACAELP C[C@@H]([NH3+])C[C@H]([NH3+])C(=O)OC(C)(C)C 95930131 168364700 /nfs/dbraw/zinc/36/47/00/168364700.db2.gz YELUMFBUWZXUQG-RQJHMYQMSA-N 2 2 188.271 0.393 10 0 ACAELP C[C@@H]([NH3+])C[C@@H]([NH3+])C(=O)OC(C)(C)C 95930133 168364990 /nfs/dbraw/zinc/36/49/90/168364990.db2.gz YELUMFBUWZXUQG-RNFRBKRXSA-N 2 2 188.271 0.393 10 0 ACAELP C[C@@H]([NH3+])Cc1cc[nH+]cc1N 44461317 168365127 /nfs/dbraw/zinc/36/51/27/168365127.db2.gz OZGBMIKKCPTFOY-ZCFIWIBFSA-N 2 2 151.213 0.554 10 0 ACAELP C[C@@H]([NH3+])[C@@H]([NH3+])c1ccncc1 47845238 168365419 /nfs/dbraw/zinc/36/54/19/168365419.db2.gz TZLYXONSYYOYLT-HTRCEHHLSA-N 2 2 151.213 0.429 10 0 ACAELP C[C@@H]([NH3+])Cc1[nH]cc[nH+]1 22861357 168365426 /nfs/dbraw/zinc/36/54/26/168365426.db2.gz TXDNYIHPVKNPRJ-RXMQYKEDSA-N 2 2 125.175 0.299 10 0 ACAELP C[C@@H]([NH3+])[NH+]1CCCCC1 39077659 168365865 /nfs/dbraw/zinc/36/58/65/168365865.db2.gz LATPYPOOVXUNQQ-ZETCQYMHSA-N 2 2 128.219 0.777 10 0 ACAELP C[C@@H]([NH3+])[C@@H](C)[N@H+](C)C1CCOCC1 41053863 168365950 /nfs/dbraw/zinc/36/59/50/168365950.db2.gz RMEMWGFHODQKEG-RKDXNWHRSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)C1CCOCC1 41053863 168365952 /nfs/dbraw/zinc/36/59/52/168365952.db2.gz RMEMWGFHODQKEG-RKDXNWHRSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+]1CCOCC1(C)C 42461954 168365963 /nfs/dbraw/zinc/36/59/63/168365963.db2.gz OQAFKLJIIBOIJF-RKDXNWHRSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]([NH3+])[C@@H](C)[N@H+]1CCOCC1(C)C 42461954 168365965 /nfs/dbraw/zinc/36/59/65/168365965.db2.gz OQAFKLJIIBOIJF-RKDXNWHRSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]([NH3+])[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 42463978 168366136 /nfs/dbraw/zinc/36/61/36/168366136.db2.gz YBNOQYAZNRBGBY-BBBLOLIVSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 42463978 168366138 /nfs/dbraw/zinc/36/61/38/168366138.db2.gz YBNOQYAZNRBGBY-BBBLOLIVSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]([NH3+])[C@@H](C)N1CCn2cc[nH+]c2C1 62250718 168366184 /nfs/dbraw/zinc/36/61/84/168366184.db2.gz XOEHGNKKJBYBMW-RKDXNWHRSA-N 2 2 194.282 0.434 10 0 ACAELP C[C@@H]([NH3+])[C@@H](C)N(C)Cc1[nH+]ccn1C 62251527 168366793 /nfs/dbraw/zinc/36/67/93/168366793.db2.gz WHCOGFCRXAHLJH-RKDXNWHRSA-N 2 2 196.298 0.588 10 0 ACAELP C[C@@H]([NH3+])[C@@H](C)[N@H+](C)Cc1cnn(C)c1 42488877 168366991 /nfs/dbraw/zinc/36/69/91/168366991.db2.gz WTBKWJSIRQYZKZ-RKDXNWHRSA-N 2 2 196.298 0.588 10 0 ACAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)Cc1cnn(C)c1 42488877 168366992 /nfs/dbraw/zinc/36/69/92/168366992.db2.gz WTBKWJSIRQYZKZ-RKDXNWHRSA-N 2 2 196.298 0.588 10 0 ACAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+]1CCCOCC1 61917547 168367029 /nfs/dbraw/zinc/36/70/29/168367029.db2.gz NQNFORCCTPARMR-RKDXNWHRSA-N 2 2 172.272 0.444 10 0 ACAELP C[C@@H]([NH3+])[C@@H](C)[N@H+]1CCCOCC1 61917547 168367031 /nfs/dbraw/zinc/36/70/31/168367031.db2.gz NQNFORCCTPARMR-RKDXNWHRSA-N 2 2 172.272 0.444 10 0 ACAELP C[C@@H]([NH3+])[NH+]1CCCC1 59031242 168367097 /nfs/dbraw/zinc/36/70/97/168367097.db2.gz HHHYHUQJPFJAMM-LURJTMIESA-N 2 2 114.192 0.387 10 0 ACAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+]1CCOC(C)(C)C1 41053859 168367219 /nfs/dbraw/zinc/36/72/19/168367219.db2.gz YIGVNGXFAGUTTF-RKDXNWHRSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]([NH3+])[C@@H](C)[N@H+]1CCOC(C)(C)C1 41053859 168367221 /nfs/dbraw/zinc/36/72/21/168367221.db2.gz YIGVNGXFAGUTTF-RKDXNWHRSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]([NH3+])[C@H]([NH3+])c1ccncc1 47845235 168368374 /nfs/dbraw/zinc/36/83/74/168368374.db2.gz TZLYXONSYYOYLT-SVRRBLITSA-N 2 2 151.213 0.429 10 0 ACAELP C[C@@H]([NH3+])[C@H]1CSCC[N@@H+]1C 76593833 168368404 /nfs/dbraw/zinc/36/84/04/168368404.db2.gz RHYDSFHRODJTRE-RNFRBKRXSA-N 2 2 160.286 0.381 10 0 ACAELP C[C@@H]([NH3+])[C@H]1CSCC[N@H+]1C 76593833 168368405 /nfs/dbraw/zinc/36/84/05/168368405.db2.gz RHYDSFHRODJTRE-RNFRBKRXSA-N 2 2 160.286 0.381 10 0 ACAELP C[C@@H]([NH3+])[C@@H]1CSCC[N@@H+]1C 76593828 168368427 /nfs/dbraw/zinc/36/84/27/168368427.db2.gz RHYDSFHRODJTRE-RQJHMYQMSA-N 2 2 160.286 0.381 10 0 ACAELP C[C@@H]([NH3+])[C@@H]1CSCC[N@H+]1C 76593828 168368428 /nfs/dbraw/zinc/36/84/28/168368428.db2.gz RHYDSFHRODJTRE-RQJHMYQMSA-N 2 2 160.286 0.381 10 0 ACAELP C[C@@H]([NH3+])c1ccc(=O)n2c1[NH2+]CCC2 105693743 168370026 /nfs/dbraw/zinc/37/00/26/168370026.db2.gz KELCPSFDIZKAHS-SSDOTTSWSA-N 2 2 193.250 0.684 10 0 ACAELP C[C@@H]([NH3+])c1ccc(=O)n2c1[NH2+]CC2 105710139 168370417 /nfs/dbraw/zinc/37/04/17/168370417.db2.gz SUQQKKKZZBWRFE-ZCFIWIBFSA-N 2 2 179.223 0.294 10 0 ACAELP C[C@@H]([NH3+])c1c[nH]c(C[NH+](C)C)n1 82853897 168373001 /nfs/dbraw/zinc/37/30/01/168373001.db2.gz DJTKGVGOJDPOGF-ZCFIWIBFSA-N 2 2 168.244 0.491 10 0 ACAELP C[C@@H]([NH3+])c1cnc(C[NH+](C)C)[nH]1 82853897 168373003 /nfs/dbraw/zinc/37/30/03/168373003.db2.gz DJTKGVGOJDPOGF-ZCFIWIBFSA-N 2 2 168.244 0.491 10 0 ACAELP C[C@@H]([NH2+]CC[NH3+])c1cccnc1 37712381 168380591 /nfs/dbraw/zinc/38/05/91/168380591.db2.gz OTYSDMDIWBIADU-MRVPVSSYSA-N 2 2 165.240 0.691 10 0 ACAELP C[C@@H]([NH2+]CC[NH3+])c1cnn(C)c1 44498929 168380768 /nfs/dbraw/zinc/38/07/68/168380768.db2.gz RCTKPYZUMWNCQU-SSDOTTSWSA-N 2 2 168.244 0.029 10 0 ACAELP C[C@@H]([NH2+]CC[NH3+])c1ccncc1 37712379 168382313 /nfs/dbraw/zinc/38/23/13/168382313.db2.gz DKIVMHWZWAWLIK-MRVPVSSYSA-N 2 2 165.240 0.691 10 0 ACAELP C[C@@H](O)C[N@H+](C)CC[NH2+]C1CC1 51839704 168390594 /nfs/dbraw/zinc/39/05/94/168390594.db2.gz LBCVWEIGSUFATP-MRVPVSSYSA-N 2 2 172.272 0.051 10 0 ACAELP C[C@@H](O)C[N@@H+](C)CC[NH2+]C1CC1 51839704 168390595 /nfs/dbraw/zinc/39/05/95/168390595.db2.gz LBCVWEIGSUFATP-MRVPVSSYSA-N 2 2 172.272 0.051 10 0 ACAELP C[C@@H](O)CN(C)c1cc[nH+]c(C[NH3+])c1 61811765 168390695 /nfs/dbraw/zinc/39/06/95/168390695.db2.gz WBMFAAUKHGNACX-MRVPVSSYSA-N 2 2 195.266 0.357 10 0 ACAELP C[C@@H](O)[C@@H]([NH3+])c1[nH+]ccc2[nH]ccc12 89220609 168397394 /nfs/dbraw/zinc/39/73/94/168397394.db2.gz OVFYGTAXBAMCPH-HZGVNTEJSA-N 2 2 191.234 0.944 10 0 ACAELP C[C@@H](O)[C@H]([NH3+])c1[nH+]ccc2[nH]ccc12 89220604 168399767 /nfs/dbraw/zinc/39/97/67/168399767.db2.gz OVFYGTAXBAMCPH-MUWHJKNJSA-N 2 2 191.234 0.944 10 0 ACAELP C[C@@H]1CC[C@@H]([NH3+])[C@H]([NH+]2CCOCC2)C1 36875284 168438269 /nfs/dbraw/zinc/43/82/69/168438269.db2.gz KONDSYIEZCUYSY-GMTAPVOTSA-N 2 2 198.310 0.835 10 0 ACAELP C[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1[NH3+] 235327140 168453455 /nfs/dbraw/zinc/45/34/55/168453455.db2.gz YKVBPCUQHJQVIS-SCZZXKLOSA-N 2 2 194.282 0.199 10 0 ACAELP C[C@@H]1[NH2+]CC[C@@H]1c1c[nH]c[nH+]1 13902685 168485417 /nfs/dbraw/zinc/48/54/17/168485417.db2.gz FLOJCNYYPGNYBP-BQBZGAKWSA-N 2 2 151.213 0.875 10 0 ACAELP C[C@H](Cn1cc[nH+]c1)[NH2+]CCN(C)C 49235564 168540643 /nfs/dbraw/zinc/54/06/43/168540643.db2.gz IOKOZKPLMUDRCK-SNVBAGLBSA-N 2 2 196.298 0.423 10 0 ACAELP C[C@H]([NH3+])C1=CSC2=[NH+]CCCN12 11850511 168545420 /nfs/dbraw/zinc/54/54/20/168545420.db2.gz BYTNZAVXWFTAGL-LURJTMIESA-N 2 2 183.280 0.984 10 0 ACAELP C[C@H]([NH2+]CC[NH3+])c1cnn(C)c1 44498927 168566296 /nfs/dbraw/zinc/56/62/96/168566296.db2.gz RCTKPYZUMWNCQU-ZETCQYMHSA-N 2 2 168.244 0.029 10 0 ACAELP C[C@H](O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 44472233 168586118 /nfs/dbraw/zinc/58/61/18/168586118.db2.gz XIUGOLZUTOFSGH-XVKPBYJWSA-N 2 2 180.251 0.698 10 0 ACAELP C[C@H]1CC[C@H]([NH3+])[NH2+]1 39118024 168625276 /nfs/dbraw/zinc/62/52/76/168625276.db2.gz NSVLMYNMIXEUIX-CRCLSJGQSA-N 2 2 100.165 0.043 10 0 ACAELP C[C@H]1C[N@H+](CC(C)(C)[NH3+])[C@H](C)CO1 40925946 168633449 /nfs/dbraw/zinc/63/34/49/168633449.db2.gz FTRYCUYCYMCCQR-BDAKNGLRSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@H]1C[N@@H+](CC(C)(C)[NH3+])[C@H](C)CO1 40925946 168633451 /nfs/dbraw/zinc/63/34/51/168633451.db2.gz FTRYCUYCYMCCQR-BDAKNGLRSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@H]1C[N@H+](CCC[NH3+])CCO1 22220174 168635654 /nfs/dbraw/zinc/63/56/54/168635654.db2.gz TUKRVFZKXDIDNP-QMMMGPOBSA-N 2 2 158.245 0.056 10 0 ACAELP C[C@H]1C[N@@H+](CCC[NH3+])CCO1 22220174 168635655 /nfs/dbraw/zinc/63/56/55/168635655.db2.gz 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82851755 169055526 /nfs/dbraw/zinc/05/55/26/169055526.db2.gz ZYYROUXFVUWCBB-MRVPVSSYSA-N 2 2 165.240 0.715 10 0 ACAELP Cn1c[nH+]c2c1CC[C@@H]([NH3+])C2 82407973 169055765 /nfs/dbraw/zinc/05/57/65/169055765.db2.gz ADSJVLJIVUWVBA-ZCFIWIBFSA-N 2 2 151.213 0.236 10 0 ACAELP Cn1c[nH+]c(C[C@@H]2CCC[NH2+]2)c1 82851754 169055948 /nfs/dbraw/zinc/05/59/48/169055948.db2.gz ZYYROUXFVUWCBB-QMMMGPOBSA-N 2 2 165.240 0.715 10 0 ACAELP Cn1c[nH+]c2c1CCC[C@@H]2C[NH3+] 76087482 169056607 /nfs/dbraw/zinc/05/66/07/169056607.db2.gz BJWGYCOPSWZNOR-SSDOTTSWSA-N 2 2 165.240 0.799 10 0 ACAELP Cn1c[nH+]c(C2CC[NH2+]CC2)c1 82403277 169056722 /nfs/dbraw/zinc/05/67/22/169056722.db2.gz VWDIRMKZBSUVQO-UHFFFAOYSA-N 2 2 165.240 0.887 10 0 ACAELP Cn1c[nH+]c([C@@H]2CCC[NH2+]C2)c1 82403275 169056761 /nfs/dbraw/zinc/05/67/61/169056761.db2.gz AZTSFKBCJKAWPW-MRVPVSSYSA-N 2 2 165.240 0.887 10 0 ACAELP Cn1c[nH+]cc1[C@@H]1CC[NH2+]C1 72187582 169057049 /nfs/dbraw/zinc/05/70/49/169057049.db2.gz XUZOJBKLPWHWMM-SSDOTTSWSA-N 2 2 151.213 0.497 10 0 ACAELP Cn1c[nH+]cc1[C@@H]1C[NH2+]CCO1 82852936 169057209 /nfs/dbraw/zinc/05/72/09/169057209.db2.gz FNSVKJPGKGYHJF-QMMMGPOBSA-N 2 2 167.212 0.081 10 0 ACAELP Cn1c[nH+]cc1[C@H]1C[NH2+]CCO1 82852937 169057705 /nfs/dbraw/zinc/05/77/05/169057705.db2.gz FNSVKJPGKGYHJF-MRVPVSSYSA-N 2 2 167.212 0.081 10 0 ACAELP Cn1c[nH+]cc1/C=C\C[NH3+] 39078345 169057961 /nfs/dbraw/zinc/05/79/61/169057961.db2.gz CTDBCECOZUUNGW-IHWYPQMZSA-N 2 2 137.186 0.392 10 0 ACAELP Cn1c[nH+]cc1[C@H]1CC[NH2+]C1 72187583 169058227 /nfs/dbraw/zinc/05/82/27/169058227.db2.gz XUZOJBKLPWHWMM-ZETCQYMHSA-N 2 2 151.213 0.497 10 0 ACAELP Cn1c[nH+]cc1C1C[NH2+]C1 23908295 169058732 /nfs/dbraw/zinc/05/87/32/169058732.db2.gz YXFVUPDBAJMEPD-UHFFFAOYSA-N 2 2 137.186 0.107 10 0 ACAELP Cn1c[nH+]cc1/C=C/C[NH3+] 78724838 169058827 /nfs/dbraw/zinc/05/88/27/169058827.db2.gz CTDBCECOZUUNGW-NSCUHMNNSA-N 2 2 137.186 0.392 10 0 ACAELP Cn1ncc2c1CCC[C@@H]2[NH2+]CC[NH3+] 37712753 169064512 /nfs/dbraw/zinc/06/45/12/169064512.db2.gz BOTWYUUCNMMQMY-VIFPVBQESA-N 2 2 194.282 0.346 10 0 ACAELP Cn1ncc2c1CCC[C@H]2[NH2+]CC[NH3+] 37712752 169065218 /nfs/dbraw/zinc/06/52/18/169065218.db2.gz BOTWYUUCNMMQMY-SECBINFHSA-N 2 2 194.282 0.346 10 0 ACAELP FC(F)C[NH2+]CCn1cc[nH+]c1 42541209 169073805 /nfs/dbraw/zinc/07/38/05/169073805.db2.gz CZXROTMWRFWDDC-UHFFFAOYSA-N 2 2 175.182 0.738 10 0 ACAELP [NH3+]C[C@H]1CC[N@H+](Cc2cnccn2)C1 50248220 169216590 /nfs/dbraw/zinc/21/65/90/169216590.db2.gz MLKYNLUWUWOZRY-SECBINFHSA-N 2 2 192.266 0.257 10 0 ACAELP [NH3+]C[C@H]1CC[N@@H+](Cc2cnccn2)C1 50248220 169216591 /nfs/dbraw/zinc/21/65/91/169216591.db2.gz MLKYNLUWUWOZRY-SECBINFHSA-N 2 2 192.266 0.257 10 0 ACAELP [NH3+]C[C@H]1CC[N@H+](Cc2ncccn2)C1 54461488 169216666 /nfs/dbraw/zinc/21/66/66/169216666.db2.gz CRPARSWWJFKZQM-SECBINFHSA-N 2 2 192.266 0.257 10 0 ACAELP [NH3+]C[C@H]1CC[N@@H+](Cc2ncccn2)C1 54461488 169216667 /nfs/dbraw/zinc/21/66/67/169216667.db2.gz CRPARSWWJFKZQM-SECBINFHSA-N 2 2 192.266 0.257 10 0 ACAELP NC(=[NH2+])CCCn1cc[nH+]c1 19482663 169135650 /nfs/dbraw/zinc/13/56/50/169135650.db2.gz FJLFIYYQUULLAY-UHFFFAOYSA-N 2 2 152.201 0.599 10 0 ACAELP NC(=[NH2+])CCCCn1cc[nH+]c1 49579824 169136565 /nfs/dbraw/zinc/13/65/65/169136565.db2.gz ISQAEKRLJLEYMT-UHFFFAOYSA-N 2 2 166.228 0.989 10 0 ACAELP NC(=[NH2+])CCCc1c[nH]c[nH+]1 4903 169137017 /nfs/dbraw/zinc/13/70/17/169137017.db2.gz DXLYSPKZUXSVKN-UHFFFAOYSA-N 2 2 152.201 0.668 10 0 ACAELP NC(=[NH2+])CCCc1c[nH+]c[nH]1 4903 169137020 /nfs/dbraw/zinc/13/70/20/169137020.db2.gz DXLYSPKZUXSVKN-UHFFFAOYSA-N 2 2 152.201 0.668 10 0 ACAELP NC(=[NH2+])Nc1ccc2[nH]c[nH+]c2c1 45238336 169139117 /nfs/dbraw/zinc/13/91/17/169139117.db2.gz DHVVFUFEJNDDKN-UHFFFAOYSA-N 2 2 175.195 0.868 10 0 ACAELP NC(=[NH2+])c1ccc(-n2cc[nH+]c2)nc1 19435224 169139183 /nfs/dbraw/zinc/13/91/83/169139183.db2.gz CYTQPYSVSWQGOS-UHFFFAOYSA-N 2 2 187.206 0.551 10 0 ACAELP NC(=[NH2+])SCc1c[nH+]c[nH]1 95934304 169139941 /nfs/dbraw/zinc/13/99/41/169139941.db2.gz OSIYUQJMZWEHDC-UHFFFAOYSA-N 2 2 156.214 0.536 10 0 ACAELP NC(=[NH2+])SCc1c[nH]c[nH+]1 95934304 169139943 /nfs/dbraw/zinc/13/99/43/169139943.db2.gz OSIYUQJMZWEHDC-UHFFFAOYSA-N 2 2 156.214 0.536 10 0 ACAELP NC(=[NH2+])SCCCc1c[nH]c[nH+]1 14979641 169140218 /nfs/dbraw/zinc/14/02/18/169140218.db2.gz QJUVWGBVEFRHCN-UHFFFAOYSA-N 2 2 184.268 0.969 10 0 in-vitro ACAELP NC(=[NH2+])SCCCc1c[nH+]c[nH]1 14979641 169140219 /nfs/dbraw/zinc/14/02/19/169140219.db2.gz QJUVWGBVEFRHCN-UHFFFAOYSA-N 2 2 184.268 0.969 10 0 in-vitro ACAELP NC(=[NH2+])c1nc2c(s1)C[NH2+]CC2 75847725 169140821 /nfs/dbraw/zinc/14/08/21/169140821.db2.gz RHSKKMIYKJOFEC-UHFFFAOYSA-N 2 2 182.252 0.073 10 0 ACAELP NC(=[NH2+])c1ccnc(-n2cc[nH+]c2)c1 19488048 169141326 /nfs/dbraw/zinc/14/13/26/169141326.db2.gz RMTCYIDOIANCDI-UHFFFAOYSA-N 2 2 187.206 0.551 10 0 ACAELP NC(=[NH2+])c1cccnc1-n1cc[nH+]c1 19433359 169141367 /nfs/dbraw/zinc/14/13/67/169141367.db2.gz YUFNVYRUFIEUHI-UHFFFAOYSA-N 2 2 187.206 0.551 10 0 ACAELP NC(=O)C[N@@H+]1CC[C@@]2(CCC[NH2+]C2)C1 335402059 169143020 /nfs/dbraw/zinc/14/30/20/169143020.db2.gz YNKDUWDFPFBVQV-SNVBAGLBSA-N 2 2 197.282 0.597 10 0 ACAELP NC(=O)C[N@H+]1CC[C@@]2(CCC[NH2+]C2)C1 335402059 169143021 /nfs/dbraw/zinc/14/30/21/169143021.db2.gz YNKDUWDFPFBVQV-SNVBAGLBSA-N 2 2 197.282 0.597 10 0 ACAELP NC(=O)C[N@@H+]1CC[C@]2(CCC[NH2+]C2)C1 335402058 169143052 /nfs/dbraw/zinc/14/30/52/169143052.db2.gz YNKDUWDFPFBVQV-JTQLQIEISA-N 2 2 197.282 0.597 10 0 ACAELP NC(=O)C[N@H+]1CC[C@]2(CCC[NH2+]C2)C1 335402058 169143053 /nfs/dbraw/zinc/14/30/53/169143053.db2.gz YNKDUWDFPFBVQV-JTQLQIEISA-N 2 2 197.282 0.597 10 0 ACAELP [NH2+]=C1CCCN1CC[NH+]1CCOCC1 20444231 169143974 /nfs/dbraw/zinc/14/39/74/169143974.db2.gz NCFVQXXQBXJFRZ-UHFFFAOYSA-N 2 2 197.282 0.392 10 0 ACAELP [NH2+]=CCc1c[nH]c[nH+]1 39132474 169144534 /nfs/dbraw/zinc/14/45/34/169144534.db2.gz CBARHIPQWQYPOK-UHFFFAOYSA-N 2 2 109.132 0.602 10 0 ACAELP [NH3+]C[C@H]1C[C@@H]1c1c[nH]c[nH+]1 4626853 169216816 /nfs/dbraw/zinc/21/68/16/169216816.db2.gz LMFNLINKCDGRTE-RITPCOANSA-N 2 2 137.186 0.472 10 0 in-vivo ACAELP [NH3+]C[C@H]1C[C@@H]1c1c[nH+]c[nH]1 4626853 169216818 /nfs/dbraw/zinc/21/68/18/169216818.db2.gz LMFNLINKCDGRTE-RITPCOANSA-N 2 2 137.186 0.472 10 0 in-vivo ACAELP NC(=O)[C@@H]([NH3+])CC[NH+]1CCCCCC1 62441170 169160262 /nfs/dbraw/zinc/16/02/62/169160262.db2.gz FYFPBTPVIKCMKE-VIFPVBQESA-N 2 2 199.298 0.065 10 0 ACAELP NC(=O)[C@H]([NH3+])CC[NH+]1CCCCCC1 62441173 169162200 /nfs/dbraw/zinc/16/22/00/169162200.db2.gz FYFPBTPVIKCMKE-SECBINFHSA-N 2 2 199.298 0.065 10 0 ACAELP NC1=[NH+]N(c2cc[nH+]cc2)CC1 34090142 169171157 /nfs/dbraw/zinc/17/11/57/169171157.db2.gz XXPQPXCZTLWQMX-UHFFFAOYSA-N 2 2 162.196 0.564 10 0 ACAELP [NH3+]CCCCC(=O)NCc1[nH]cc[nH+]1 70646740 169180588 /nfs/dbraw/zinc/18/05/88/169180588.db2.gz QGYIOFGCDHFZLZ-UHFFFAOYSA-N 2 2 196.254 0.155 10 0 ACAELP [NH3+]CCCCC[NH+]1CC1 39077695 169181410 /nfs/dbraw/zinc/18/14/10/169181410.db2.gz CKMRRDWMQLYFFP-UHFFFAOYSA-N 2 2 128.219 0.431 10 0 ACAELP [NH3+]CCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 44679397 169181824 /nfs/dbraw/zinc/18/18/24/169181824.db2.gz HTBPAOSFJRVREQ-SNVBAGLBSA-N 3 2 197.326 0.552 10 0 ACAELP [NH3+]CCCC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 44679397 169181826 /nfs/dbraw/zinc/18/18/26/169181826.db2.gz HTBPAOSFJRVREQ-SNVBAGLBSA-N 3 2 197.326 0.552 10 0 ACAELP Nc1ccc[nH+]c1CCCC[NH3+] 39616788 169181842 /nfs/dbraw/zinc/18/18/42/169181842.db2.gz ZNEYACZYGQIIBD-UHFFFAOYSA-N 2 2 165.240 0.945 10 0 ACAELP [NH3+]CCCC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 44679396 169181918 /nfs/dbraw/zinc/18/19/18/169181918.db2.gz HTBPAOSFJRVREQ-JTQLQIEISA-N 3 2 197.326 0.552 10 0 ACAELP [NH3+]CCCC[NH2+][C@H]1CC[N@H+](C2CC2)C1 44679396 169181920 /nfs/dbraw/zinc/18/19/20/169181920.db2.gz HTBPAOSFJRVREQ-JTQLQIEISA-N 3 2 197.326 0.552 10 0 ACAELP [NH3+]CCCCc1c[nH]c[nH+]1 13560690 169181994 /nfs/dbraw/zinc/18/19/94/169181994.db2.gz VJSUMPPMFYQOMP-UHFFFAOYSA-N 2 2 139.202 0.691 10 0 in-vitro ACAELP [NH3+]CCCCc1c[nH+]c[nH]1 13560690 169181995 /nfs/dbraw/zinc/18/19/95/169181995.db2.gz VJSUMPPMFYQOMP-UHFFFAOYSA-N 2 2 139.202 0.691 10 0 in-vitro ACAELP [NH3+]CCC[NH2+]CCCC[NH+]1CC1 1636535 169183206 /nfs/dbraw/zinc/18/32/06/169183206.db2.gz JVMUEYFSUCQOKO-UHFFFAOYSA-N 3 2 171.288 0.021 10 0 ACAELP [NH3+]CCC[N@@H+]1CCc2ncsc2C1 41580173 169183241 /nfs/dbraw/zinc/18/32/41/169183241.db2.gz YGDWXGNQCBCEBW-UHFFFAOYSA-N 2 2 197.307 0.850 10 0 ACAELP [NH3+]CCC[N@H+]1CCc2ncsc2C1 41580173 169183242 /nfs/dbraw/zinc/18/32/42/169183242.db2.gz YGDWXGNQCBCEBW-UHFFFAOYSA-N 2 2 197.307 0.850 10 0 ACAELP [NH3+]CCC[NH2+]CC(F)F 51355673 169183301 /nfs/dbraw/zinc/18/33/01/169183301.db2.gz JFBMEZSUEISXPM-UHFFFAOYSA-N 2 2 138.161 0.190 10 0 ACAELP [NH3+]CCCOCCCn1cc[nH+]c1 51865351 169183366 /nfs/dbraw/zinc/18/33/66/169183366.db2.gz OQFJQXDVJQHSRZ-UHFFFAOYSA-N 2 2 183.255 0.639 10 0 ACAELP [NH3+]CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 335448100 169183613 /nfs/dbraw/zinc/18/36/13/169183613.db2.gz MGTKVPWGJMTSNZ-NXEZZACHSA-N 3 2 183.299 0.019 10 0 ACAELP [NH3+]CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 335448100 169183614 /nfs/dbraw/zinc/18/36/14/169183614.db2.gz MGTKVPWGJMTSNZ-NXEZZACHSA-N 3 2 183.299 0.019 10 0 ACAELP [NH3+]CCC[NH2+]Cc1cscn1 42273784 169183750 /nfs/dbraw/zinc/18/37/50/169183750.db2.gz FOVKHVSNDNPOQA-UHFFFAOYSA-N 2 2 171.269 0.582 10 0 ACAELP [NH3+]CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 335448306 169183795 /nfs/dbraw/zinc/18/37/95/169183795.db2.gz MGTKVPWGJMTSNZ-VHSXEESVSA-N 3 2 183.299 0.019 10 0 ACAELP [NH3+]CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 335448306 169183796 /nfs/dbraw/zinc/18/37/96/169183796.db2.gz MGTKVPWGJMTSNZ-VHSXEESVSA-N 3 2 183.299 0.019 10 0 ACAELP [NH3+]CCC[N@@H+]1CCn2ccnc2C1 62248383 169183875 /nfs/dbraw/zinc/18/38/75/169183875.db2.gz OXCCJHKPQURTEQ-UHFFFAOYSA-N 2 2 180.255 0.048 10 0 ACAELP [NH3+]CCC[N@H+]1CCn2ccnc2C1 62248383 169183876 /nfs/dbraw/zinc/18/38/76/169183876.db2.gz OXCCJHKPQURTEQ-UHFFFAOYSA-N 2 2 180.255 0.048 10 0 ACAELP [NH3+]CCC[NH2+]CCCn1cc[nH+]c1 41620055 169183925 /nfs/dbraw/zinc/18/39/25/169183925.db2.gz MRPDRBGSZSYTSE-UHFFFAOYSA-N 3 2 182.271 0.212 10 0 ACAELP [NH3+]CCC[NH2+]Cc1nccs1 49538946 169183942 /nfs/dbraw/zinc/18/39/42/169183942.db2.gz WHCIZDVBYIVJRD-UHFFFAOYSA-N 2 2 171.269 0.582 10 0 ACAELP [NH3+]CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 335448307 169184108 /nfs/dbraw/zinc/18/41/08/169184108.db2.gz MGTKVPWGJMTSNZ-ZJUUUORDSA-N 3 2 183.299 0.019 10 0 ACAELP [NH3+]CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 335448307 169184109 /nfs/dbraw/zinc/18/41/09/169184109.db2.gz MGTKVPWGJMTSNZ-ZJUUUORDSA-N 3 2 183.299 0.019 10 0 ACAELP [NH3+]CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 335448101 169184155 /nfs/dbraw/zinc/18/41/55/169184155.db2.gz MGTKVPWGJMTSNZ-UWVGGRQHSA-N 3 2 183.299 0.019 10 0 ACAELP [NH3+]CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 335448101 169184156 /nfs/dbraw/zinc/18/41/56/169184156.db2.gz MGTKVPWGJMTSNZ-UWVGGRQHSA-N 3 2 183.299 0.019 10 0 ACAELP [NH3+]CCCc1c[nH+]c2n1CCOC2 82395847 169186090 /nfs/dbraw/zinc/18/60/90/169186090.db2.gz MOMJBFRWIGCDJS-UHFFFAOYSA-N 2 2 181.239 0.305 10 0 ACAELP [NH3+]CCCc1[nH]c2c([nH+]1)CCCN2 76132402 169186376 /nfs/dbraw/zinc/18/63/76/169186376.db2.gz DJAUPGYPQSTQTK-UHFFFAOYSA-N 2 2 180.255 0.659 10 0 ACAELP [NH3+]CCCc1[nH]c2c([nH+]1)NCCC2 76132402 169186377 /nfs/dbraw/zinc/18/63/77/169186377.db2.gz DJAUPGYPQSTQTK-UHFFFAOYSA-N 2 2 180.255 0.659 10 0 ACAELP [NH3+]CCN1CCC(c2c[nH]c[nH+]2)CC1 306403529 169186624 /nfs/dbraw/zinc/18/66/24/169186624.db2.gz SZTDVQORHWGMBO-UHFFFAOYSA-N 2 2 194.282 0.548 10 0 ACAELP [NH3+]CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 307704565 169186875 /nfs/dbraw/zinc/18/68/75/169186875.db2.gz WXIHFHQQHJRMJJ-LLVKDONJSA-N 3 2 197.326 0.267 10 0 ACAELP [NH3+]CC[NH+]1CCC([C@@H]2CCCO2)CC1 334965895 169186932 /nfs/dbraw/zinc/18/69/32/169186932.db2.gz ARUXBFWADAPZNZ-NSHDSACASA-N 2 2 198.310 0.836 10 0 ACAELP [NH3+]CC[N@H+](C[C@H]1CCCCO1)C1CC1 42373607 169186958 /nfs/dbraw/zinc/18/69/58/169186958.db2.gz ZXNIFWPZAWOINI-LLVKDONJSA-N 2 2 198.310 0.979 10 0 ACAELP [NH3+]CC[N@@H+](C[C@H]1CCCCO1)C1CC1 42373607 169186960 /nfs/dbraw/zinc/18/69/60/169186960.db2.gz ZXNIFWPZAWOINI-LLVKDONJSA-N 2 2 198.310 0.979 10 0 ACAELP [NH3+]CC[N@H+](CCCCO)C1CC1 43445247 169187061 /nfs/dbraw/zinc/18/70/61/169187061.db2.gz LMQLYMKUXCPKJE-UHFFFAOYSA-N 2 2 172.272 0.182 10 0 ACAELP [NH3+]CC[N@@H+](CCCCO)C1CC1 43445247 169187063 /nfs/dbraw/zinc/18/70/63/169187063.db2.gz LMQLYMKUXCPKJE-UHFFFAOYSA-N 2 2 172.272 0.182 10 0 ACAELP [NH3+]CC[NH+]1CCC([C@H]2CCCO2)CC1 334965893 169187099 /nfs/dbraw/zinc/18/70/99/169187099.db2.gz ARUXBFWADAPZNZ-LLVKDONJSA-N 2 2 198.310 0.836 10 0 ACAELP [NH3+]CCN1CCC(n2cc[nH+]c2)CC1 306428968 169187142 /nfs/dbraw/zinc/18/71/42/169187142.db2.gz NQVXZTFEWJPUCW-UHFFFAOYSA-N 2 2 194.282 0.479 10 0 ACAELP [NH3+]CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 307704568 169187163 /nfs/dbraw/zinc/18/71/63/169187163.db2.gz WXIHFHQQHJRMJJ-NSHDSACASA-N 3 2 197.326 0.267 10 0 ACAELP [NH3+]CC[N@H+](C[C@@H]1CCCO1)C1CC1 41056996 169187218 /nfs/dbraw/zinc/18/72/18/169187218.db2.gz YZGVAZLZXYLGIY-JTQLQIEISA-N 2 2 184.283 0.589 10 0 ACAELP [NH3+]CC[N@@H+](C[C@@H]1CCCO1)C1CC1 41056996 169187219 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/nfs/dbraw/zinc/22/67/46/169226746.db2.gz ZWZJKVLVZOHSCL-UHFFFAOYSA-N 2 2 179.223 0.664 10 0 ACAELP [NH3+]Cc1coc(Cn2cc[nH+]c2)c1 52575444 169227483 /nfs/dbraw/zinc/22/74/83/169227483.db2.gz LETOGWHAQQMJFR-UHFFFAOYSA-N 2 2 177.207 0.983 10 0 ACAELP [NH3+]Cc1cnc(-n2cc[nH+]c2)nc1 95642154 169227555 /nfs/dbraw/zinc/22/75/55/169227555.db2.gz SHCHSEJPHVXNIF-UHFFFAOYSA-N 2 2 175.195 0.121 10 0 ACAELP [NH3+]Cc1coc(C[NH+]2CCOCC2)c1 52377848 169227951 /nfs/dbraw/zinc/22/79/51/169227951.db2.gz PDTHRLAXIPTVOA-UHFFFAOYSA-N 2 2 196.250 0.571 10 0 ACAELP [NH3+]Cc1nc(Cn2cc[nH+]c2)cs1 52575434 169228667 /nfs/dbraw/zinc/22/86/67/169228667.db2.gz VOUIOJDMUQZGCE-UHFFFAOYSA-N 2 2 194.263 0.847 10 0 ACAELP [NH3+]Cc1csc(Cn2cc[nH+]c2)n1 83342141 169229201 /nfs/dbraw/zinc/22/92/01/169229201.db2.gz KLKNLPLNDBZDRN-UHFFFAOYSA-N 2 2 194.263 0.847 10 0 ACAELP [NH3+]Cc1nccc(-n2cc[nH+]c2)n1 95760917 169230904 /nfs/dbraw/zinc/23/09/04/169230904.db2.gz DFJBITUAZPSMSJ-UHFFFAOYSA-N 2 2 175.195 0.121 10 0 ACAELP Nc1cc[nH+]c(C[NH3+])c1OC1CC1 95724719 169231434 /nfs/dbraw/zinc/23/14/34/169231434.db2.gz HSNADZSYQAMQGN-UHFFFAOYSA-N 2 2 179.223 0.664 10 0 ACAELP [NH3+]Cc1nccnc1-n1cc[nH+]c1 54378256 169231661 /nfs/dbraw/zinc/23/16/61/169231661.db2.gz FJFXWQXEQJFJGD-UHFFFAOYSA-N 2 2 175.195 0.121 10 0 ACAELP [NH3+]Cc1ncccc1Cn1cc[nH+]c1 61656970 169231806 /nfs/dbraw/zinc/23/18/06/169231806.db2.gz OAOZCMZLPJIXKP-UHFFFAOYSA-N 2 2 188.234 0.785 10 0 ACAELP [NH3+]Cc1ncn(-c2cc[nH+]cc2)n1 61843222 169231843 /nfs/dbraw/zinc/23/18/43/169231843.db2.gz NSGFRTZSSVOUSH-UHFFFAOYSA-N 2 2 175.195 0.121 10 0 ACAELP [NH3+]Cc1occc1Cn1cc[nH+]c1 52575410 169232082 /nfs/dbraw/zinc/23/20/82/169232082.db2.gz GHKYSFBBCLTEMS-UHFFFAOYSA-N 2 2 177.207 0.983 10 0 ACAELP [NH3+]Cc1nnc([C@H]2CCCC[NH2+]2)o1 83340700 169232692 /nfs/dbraw/zinc/23/26/92/169232692.db2.gz QBWMZCHGMMYPPX-ZCFIWIBFSA-N 2 2 182.227 0.343 10 0 ACAELP [NH3+]Cc1nonc1C[NH+]1CCCCC1 82385740 169232700 /nfs/dbraw/zinc/23/27/00/169232700.db2.gz 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/nfs/dbraw/zinc/25/38/22/169253822.db2.gz UNUWWTQVLWXDBT-MNOVXSKESA-N 2 2 198.310 0.979 10 0 ACAELP [NH3+][C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 223637676 169253823 /nfs/dbraw/zinc/25/38/23/169253823.db2.gz UNUWWTQVLWXDBT-MNOVXSKESA-N 2 2 198.310 0.979 10 0 ACAELP [NH3+][C@@H]1CCOC[C@H]1[NH+]1CCCCC1 36305237 169253918 /nfs/dbraw/zinc/25/39/18/169253918.db2.gz DUEUXUJVGKIFNQ-NXEZZACHSA-N 2 2 184.283 0.589 10 0 ACAELP [NH3+][C@@H]1CC[N@H+](CCc2ccco2)C1 42590229 169254054 /nfs/dbraw/zinc/25/40/54/169254054.db2.gz HTPFCSKCFBCPFA-SECBINFHSA-N 2 2 180.251 0.855 10 0 ACAELP [NH3+][C@@H]1CC[N@@H+](CCc2ccco2)C1 42590229 169254056 /nfs/dbraw/zinc/25/40/56/169254056.db2.gz HTPFCSKCFBCPFA-SECBINFHSA-N 2 2 180.251 0.855 10 0 ACAELP [NH3+][C@@H]1CCOC[C@@H]1[NH+]1CCCCC1 36305240 169254157 /nfs/dbraw/zinc/25/41/57/169254157.db2.gz DUEUXUJVGKIFNQ-ZJUUUORDSA-N 2 2 184.283 0.589 10 0 ACAELP [NH3+][C@@H]1CC[N@H+](CCc2ccccn2)C1 37483498 169254400 /nfs/dbraw/zinc/25/44/00/169254400.db2.gz 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/nfs/dbraw/zinc/25/87/34/169258734.db2.gz OWWNABDDYQLERE-CRCLSJGQSA-N 2 2 123.159 0.224 10 0 in-vivo ACAELP [NH3+][C@@H]1C[C@@H]1[NH+]1CCCCC1 23919405 169258908 /nfs/dbraw/zinc/25/89/08/169258908.db2.gz RXNDNFAISVJSKD-SFYZADRCSA-N 2 2 140.230 0.572 10 0 ACAELP [NH3+][C@@H]1C[C@H]1c1[nH]cc[nH+]1 39132592 169259381 /nfs/dbraw/zinc/25/93/81/169259381.db2.gz SYDXEJRVCYPNDT-RFZPGFLSSA-N 2 2 123.159 0.224 10 0 ACAELP [NH3+][C@@H]1Cc2ccccc2CC[NH2+]1 91301966 169259878 /nfs/dbraw/zinc/25/98/78/169259878.db2.gz DZPOFFRXIJFWQT-JTQLQIEISA-N 2 2 162.236 0.660 10 0 ACAELP [NH3+][C@@H]1C[C@H]1[NH+]1CCCCC1 23919412 169260020 /nfs/dbraw/zinc/26/00/20/169260020.db2.gz RXNDNFAISVJSKD-HTQZYQBOSA-N 2 2 140.230 0.572 10 0 ACAELP [NH3+][C@H](CF)Cc1c[nH+]c[nH]1 5116900 169264997 /nfs/dbraw/zinc/26/49/97/169264997.db2.gz HQJBDGCXJPRBDP-YFKPBYRVSA-N 2 2 143.165 0.249 10 0 ACAELP [NH3+][C@H](CF)Cc1c[nH]c[nH+]1 5116900 169264999 /nfs/dbraw/zinc/26/49/99/169264999.db2.gz HQJBDGCXJPRBDP-YFKPBYRVSA-N 2 2 143.165 0.249 10 0 ACAELP [NH3+][C@H](CCO)c1[nH+]ccc2[nH]ccc12 89220625 169265264 /nfs/dbraw/zinc/26/52/64/169265264.db2.gz JITVJELCXOQZDC-MRVPVSSYSA-N 2 2 191.234 0.945 10 0 ACAELP [NH3+][C@H](CCO)c1ccc2[nH+]ccn2c1 82889802 169265398 /nfs/dbraw/zinc/26/53/98/169265398.db2.gz PNVCYRWKBVSZCM-SECBINFHSA-N 2 2 191.234 0.717 10 0 ACAELP [NH3+][C@H](CO)c1[nH+]ccc2[nH]ccc12 74307331 169266348 /nfs/dbraw/zinc/26/63/48/169266348.db2.gz DCZKBIMKMXTNTO-SSDOTTSWSA-N 2 2 177.207 0.555 10 0 ACAELP [NH3+][C@H](CO)c1ccn2cc[nH+]c2c1 82869519 169267037 /nfs/dbraw/zinc/26/70/37/169267037.db2.gz FNRKGYSHYSUSEQ-MRVPVSSYSA-N 2 2 177.207 0.326 10 0 ACAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)[C@@H]1CCCO1 36946824 169267522 /nfs/dbraw/zinc/26/75/22/169267522.db2.gz WQMOFPOOFOQNAV-SFYZADRCSA-N 2 2 181.239 0.459 10 0 ACAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)C1CCOCC1 61671531 169268095 /nfs/dbraw/zinc/26/80/95/169268095.db2.gz CLRSTBDWMHSQRT-SECBINFHSA-N 2 2 195.266 0.706 10 0 ACAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)[C@H]1CCCOC1 62230874 169268186 /nfs/dbraw/zinc/26/81/86/169268186.db2.gz IGYCBTGNSJWELV-DTWKUNHWSA-N 2 2 195.266 0.706 10 0 ACAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)[C@@H]1CCCOC1 62230870 169268215 /nfs/dbraw/zinc/26/82/15/169268215.db2.gz IGYCBTGNSJWELV-RKDXNWHRSA-N 2 2 195.266 0.706 10 0 ACAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)[C@H]1CCCCO1 50961146 169268237 /nfs/dbraw/zinc/26/82/37/169268237.db2.gz BFLBKYSSVGWKPH-RKDXNWHRSA-N 2 2 195.266 0.849 10 0 ACAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)[C@H]1CCCO1 36946826 169268338 /nfs/dbraw/zinc/26/83/38/169268338.db2.gz WQMOFPOOFOQNAV-HTQZYQBOSA-N 2 2 181.239 0.459 10 0 ACAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)[C@@H]1CCOC1 48623182 169268456 /nfs/dbraw/zinc/26/84/56/169268456.db2.gz UOZZAOOLFMPZNU-HTQZYQBOSA-N 2 2 181.239 0.316 10 0 ACAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)C1CC1 36946812 169268507 /nfs/dbraw/zinc/26/85/07/169268507.db2.gz RGFWXEKXCQFLKZ-SSDOTTSWSA-N 2 2 151.213 0.690 10 0 ACAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)[C@H]1CCOC1 48623190 169268679 /nfs/dbraw/zinc/26/86/79/169268679.db2.gz UOZZAOOLFMPZNU-JGVFFNPUSA-N 2 2 181.239 0.316 10 0 ACAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)[C@@H]1CCCCO1 50961142 169268795 /nfs/dbraw/zinc/26/87/95/169268795.db2.gz BFLBKYSSVGWKPH-BDAKNGLRSA-N 2 2 195.266 0.849 10 0 ACAELP [NH3+][C@H]1CCCCC[C@@H]1[NH+]1CCOCC1 23069907 169271726 /nfs/dbraw/zinc/27/17/26/169271726.db2.gz GZDNDOZOCNXIGL-QWRGUYRKSA-N 2 2 198.310 0.979 10 0 ACAELP [NH3+][C@H]1CCC[NH2+][C@@H]1c1cccnc1 58519142 169271971 /nfs/dbraw/zinc/27/19/71/169271971.db2.gz KXMBHCDTHVQKGM-VHSXEESVSA-N 2 2 177.251 0.833 10 0 ACAELP [NH3+][C@H]1CCCN(CCn2cc[nH+]c2)C1 41029917 169272200 /nfs/dbraw/zinc/27/22/00/169272200.db2.gz PNDXHSVBMCUIAZ-JTQLQIEISA-N 2 2 194.282 0.306 10 0 ACAELP [NH3+][C@H]1CCC[N@H+](C[C@H]2CCCO2)C1 31993111 169272278 /nfs/dbraw/zinc/27/22/78/169272278.db2.gz ZHEYVBNIIDNLTR-VHSXEESVSA-N 2 2 184.283 0.589 10 0 ACAELP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CCCO2)C1 31993111 169272280 /nfs/dbraw/zinc/27/22/80/169272280.db2.gz ZHEYVBNIIDNLTR-VHSXEESVSA-N 2 2 184.283 0.589 10 0 ACAELP [NH3+][C@H]1CCC[NH2+][C@@H]1c1ccncc1 58519149 169272474 /nfs/dbraw/zinc/27/24/74/169272474.db2.gz DPBSQDZFVCZNDN-VHSXEESVSA-N 2 2 177.251 0.833 10 0 ACAELP [NH3+][C@H]1CCC[NH2+][C@@H]1c1ccccn1 58519134 169272589 /nfs/dbraw/zinc/27/25/89/169272589.db2.gz JGEZOLLYTVYVBO-WPRPVWTQSA-N 2 2 177.251 0.833 10 0 ACAELP [NH3+][C@H]1CCCCC[C@H]1[NH+]1CCOCC1 23069911 169272728 /nfs/dbraw/zinc/27/27/28/169272728.db2.gz GZDNDOZOCNXIGL-WDEREUQCSA-N 2 2 198.310 0.979 10 0 ACAELP [NH3+][C@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 31993108 169272925 /nfs/dbraw/zinc/27/29/25/169272925.db2.gz ZHEYVBNIIDNLTR-UWVGGRQHSA-N 2 2 184.283 0.589 10 0 ACAELP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CCCO2)C1 31993108 169272926 /nfs/dbraw/zinc/27/29/26/169272926.db2.gz ZHEYVBNIIDNLTR-UWVGGRQHSA-N 2 2 184.283 0.589 10 0 ACAELP [NH3+][C@H]1CCC[NH2+][C@H]1c1ccccn1 58519136 169273012 /nfs/dbraw/zinc/27/30/12/169273012.db2.gz JGEZOLLYTVYVBO-WCBMZHEXSA-N 2 2 177.251 0.833 10 0 ACAELP 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/nfs/dbraw/zinc/27/41/54/169274154.db2.gz NLMFQTIYFFOTEE-JTQLQIEISA-N 2 2 192.262 0.925 10 0 ACAELP [NH3+][C@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 38538961 169274155 /nfs/dbraw/zinc/27/41/55/169274155.db2.gz NLMFQTIYFFOTEE-JTQLQIEISA-N 2 2 192.262 0.925 10 0 ACAELP [NH3+][C@H]1CCOC[C@@H]1[NH+]1CCCCC1 36305235 169274380 /nfs/dbraw/zinc/27/43/80/169274380.db2.gz DUEUXUJVGKIFNQ-UWVGGRQHSA-N 2 2 184.283 0.589 10 0 ACAELP [NH3+][C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 300368836 169274383 /nfs/dbraw/zinc/27/43/83/169274383.db2.gz UNUWWTQVLWXDBT-WDEREUQCSA-N 2 2 198.310 0.979 10 0 ACAELP [NH3+][C@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 300368836 169274385 /nfs/dbraw/zinc/27/43/85/169274385.db2.gz UNUWWTQVLWXDBT-WDEREUQCSA-N 2 2 198.310 0.979 10 0 ACAELP [NH3+][C@H]1CC[N@H+](CCc2ccco2)C1 42590226 169274459 /nfs/dbraw/zinc/27/44/59/169274459.db2.gz HTPFCSKCFBCPFA-VIFPVBQESA-N 2 2 180.251 0.855 10 0 ACAELP [NH3+][C@H]1CC[N@@H+](CCc2ccco2)C1 42590226 169274460 /nfs/dbraw/zinc/27/44/60/169274460.db2.gz HTPFCSKCFBCPFA-VIFPVBQESA-N 2 2 180.251 0.855 10 0 ACAELP [NH3+][C@H]1CC[N@H+](CCc2ccccn2)C1 37483497 169274531 /nfs/dbraw/zinc/27/45/31/169274531.db2.gz BYTUZYNUTOBBHE-JTQLQIEISA-N 2 2 191.278 0.657 10 0 ACAELP [NH3+][C@H]1CC[N@@H+](CCc2ccccn2)C1 37483497 169274533 /nfs/dbraw/zinc/27/45/33/169274533.db2.gz BYTUZYNUTOBBHE-JTQLQIEISA-N 2 2 191.278 0.657 10 0 ACAELP [NH3+][C@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 223637730 169274612 /nfs/dbraw/zinc/27/46/12/169274612.db2.gz UNUWWTQVLWXDBT-QWRGUYRKSA-N 2 2 198.310 0.979 10 0 ACAELP [NH3+][C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 223637730 169274614 /nfs/dbraw/zinc/27/46/14/169274614.db2.gz UNUWWTQVLWXDBT-QWRGUYRKSA-N 2 2 198.310 0.979 10 0 ACAELP [NH3+][C@H]1CCOC[C@@H]1n1cc[nH+]c1 36305548 169274679 /nfs/dbraw/zinc/27/46/79/169274679.db2.gz SDIOVRSWVOJLFX-YUMQZZPRSA-N 2 2 167.212 0.172 10 0 ACAELP [NH3+][C@H]1CC[N@H+](CCc2ccncc2)C1 48262470 169274765 /nfs/dbraw/zinc/27/47/65/169274765.db2.gz NESCKHVCQNAGQI-NSHDSACASA-N 2 2 191.278 0.657 10 0 ACAELP [NH3+][C@H]1CC[N@@H+](CCc2ccncc2)C1 48262470 169274766 /nfs/dbraw/zinc/27/47/66/169274766.db2.gz NESCKHVCQNAGQI-NSHDSACASA-N 2 2 191.278 0.657 10 0 ACAELP [NH3+][C@H]1CCOC[C@H]1n1cc[nH+]c1 36305546 169274866 /nfs/dbraw/zinc/27/48/66/169274866.db2.gz SDIOVRSWVOJLFX-JGVFFNPUSA-N 2 2 167.212 0.172 10 0 ACAELP [NH3+][C@H]1CCOC[C@H]1[NH+]1CCCCC1 36305232 169275112 /nfs/dbraw/zinc/27/51/12/169275112.db2.gz DUEUXUJVGKIFNQ-VHSXEESVSA-N 2 2 184.283 0.589 10 0 ACAELP [NH3+][C@H]1CC[C@H](n2cc[nH+]c2)C1 82408006 169275800 /nfs/dbraw/zinc/27/58/00/169275800.db2.gz WMSNEYIXQJJQIS-YUMQZZPRSA-N 2 2 151.213 0.935 10 0 ACAELP [NH3+][C@H]1CC[C@@H](n2cc[nH+]c2)C1 82408005 169276207 /nfs/dbraw/zinc/27/62/07/169276207.db2.gz WMSNEYIXQJJQIS-JGVFFNPUSA-N 2 2 151.213 0.935 10 0 ACAELP [NH3+][C@H]1CN(Cc2ccccc2)C[C@H]1[NH3+] 79523417 169276815 /nfs/dbraw/zinc/27/68/15/169276815.db2.gz HEARQVUKBKMUPY-PHIMTYICSA-N 2 2 191.278 0.157 10 0 ACAELP [NH3+][C@H]1C[NH2+]C[C@@H]1NCc1ccccc1 238791415 169276835 /nfs/dbraw/zinc/27/68/35/169276835.db2.gz KCKKWXSCGPQVKL-QWRGUYRKSA-N 2 2 191.278 0.075 10 0 ACAELP [NH3+][C@H]1CCc2ccccc2[C@H]1[NH3+] 34588910 169277280 /nfs/dbraw/zinc/27/72/80/169277280.db2.gz VLSRPVYKKHYHON-VHSXEESVSA-N 2 2 162.236 0.960 10 0 ACAELP [NH3+][C@H]1CSC[C@H]([NH3+])S1 90601290 169277299 /nfs/dbraw/zinc/27/72/99/169277299.db2.gz UZHWQYMYLZWLMP-QWWZWVQMSA-N 2 2 150.272 0.036 10 0 ACAELP [NH3+][C@H]1COC[C@H]1[NH+]1CCCCC1 83324574 169277449 /nfs/dbraw/zinc/27/74/49/169277449.db2.gz LIVAHWSHBPBTDT-DTWKUNHWSA-N 2 2 170.256 0.198 10 0 ACAELP [NH3+][C@H]1CCc2ccccc2[C@@H]1[NH3+] 34588914 169277479 /nfs/dbraw/zinc/27/74/79/169277479.db2.gz VLSRPVYKKHYHON-UWVGGRQHSA-N 2 2 162.236 0.960 10 0 ACAELP [NH3+][C@H]1C[C@@H]1[NH+]1CCCCC1 23919408 169277800 /nfs/dbraw/zinc/27/78/00/169277800.db2.gz RXNDNFAISVJSKD-YUMQZZPRSA-N 2 2 140.230 0.572 10 0 ACAELP [NH3+][C@H]1C[C@@H]1c1[nH]cc[nH+]1 39132591 169278317 /nfs/dbraw/zinc/27/83/17/169278317.db2.gz SYDXEJRVCYPNDT-WHFBIAKZSA-N 2 2 123.159 0.224 10 0 ACAELP [NH3+][C@H]1C[C@@H]1c1c[nH+]c[nH]1 13518995 169278700 /nfs/dbraw/zinc/27/87/00/169278700.db2.gz OWWNABDDYQLERE-WHFBIAKZSA-N 2 2 123.159 0.224 10 0 in-vivo ACAELP [NH3+][C@H]1C[C@@H]1c1c[nH]c[nH+]1 13518995 169278701 /nfs/dbraw/zinc/27/87/01/169278701.db2.gz OWWNABDDYQLERE-WHFBIAKZSA-N 2 2 123.159 0.224 10 0 in-vivo ACAELP [NH3+][C@H]1Cc2ccccc2CC[NH2+]1 91301967 169279188 /nfs/dbraw/zinc/27/91/88/169279188.db2.gz DZPOFFRXIJFWQT-SNVBAGLBSA-N 2 2 162.236 0.660 10 0 ACAELP [NH3+][C@H]1C[C@H]1c1c[nH+]c[nH]1 13518989 169279688 /nfs/dbraw/zinc/27/96/88/169279688.db2.gz OWWNABDDYQLERE-UHNVWZDZSA-N 2 2 123.159 0.224 10 0 in-vivo ACAELP [NH3+][C@H]1C[C@H]1c1c[nH]c[nH+]1 13518989 169279689 /nfs/dbraw/zinc/27/96/89/169279689.db2.gz OWWNABDDYQLERE-UHNVWZDZSA-N 2 2 123.159 0.224 10 0 in-vivo ACAELP [NH3+][C@H]1C[C@H]1c1[nH]cc[nH+]1 39132590 169279701 /nfs/dbraw/zinc/27/97/01/169279701.db2.gz SYDXEJRVCYPNDT-UHNVWZDZSA-N 2 2 123.159 0.224 10 0 ACAELP [NH3+][C@H]1C[C@H]1[NH+]1CCCCC1 23919414 169280137 /nfs/dbraw/zinc/28/01/37/169280137.db2.gz RXNDNFAISVJSKD-JGVFFNPUSA-N 2 2 140.230 0.572 10 0 ACAELP [NH3+][C@H]1c2ccccc2CC[C@H]1[NH3+] 34588916 169281574 /nfs/dbraw/zinc/28/15/74/169281574.db2.gz VLSRPVYKKHYHON-ZJUUUORDSA-N 2 2 162.236 0.960 10 0 ACAELP Nc1ccc(N2C[C@H]3C[C@@H]2C[NH2+]3)c[nH+]1 52634793 169292268 /nfs/dbraw/zinc/29/22/68/169292268.db2.gz QASONRSLKVKRRW-VXNVDRBHSA-N 2 2 190.250 0.214 10 0 ACAELP Nc1ccc(OC2CC[NH2+]CC2)c[nH+]1 77254137 169292646 /nfs/dbraw/zinc/29/26/46/169292646.db2.gz UQQKXZPJEXKNGU-UHFFFAOYSA-N 2 2 193.250 0.795 10 0 ACAELP Nc1ccc(N2C[C@@H]3C[C@H]2C[NH2+]3)c[nH+]1 39115399 169292996 /nfs/dbraw/zinc/29/29/96/169292996.db2.gz QASONRSLKVKRRW-CBAPKCEASA-N 2 2 190.250 0.214 10 0 ACAELP Nc1ccc2c([nH+]1)CC[C@H]([NH3+])C2 35176884 169294414 /nfs/dbraw/zinc/29/44/14/169294414.db2.gz SHLUNATZLMGHAK-ZETCQYMHSA-N 2 2 163.224 0.480 10 0 ACAELP Nc1ccc2c([nH+]1)CC[NH2+]CC2 90600383 169295013 /nfs/dbraw/zinc/29/50/13/169295013.db2.gz INLIXCQKEFDGCC-UHFFFAOYSA-N 2 2 163.224 0.352 10 0 ACAELP Nc1ccc2c([nH+]1)CC[C@@H]([NH3+])C2 35176883 169295107 /nfs/dbraw/zinc/29/51/07/169295107.db2.gz SHLUNATZLMGHAK-SSDOTTSWSA-N 2 2 163.224 0.480 10 0 ACAELP Nc1cccc(CN2CC[NH2+]CC2)[nH+]1 82636877 169297260 /nfs/dbraw/zinc/29/72/60/169297260.db2.gz UMXPSYQCLXTVPI-UHFFFAOYSA-N 2 2 192.266 0.069 10 0 ACAELP Nc1cn(-c2cc[nH+]cc2)c[nH+]1 72193512 169300303 /nfs/dbraw/zinc/30/03/03/169300303.db2.gz PWJMFNAQMGHXND-UHFFFAOYSA-N 2 2 160.180 0.850 10 0 ACAELP Nc1cn(C2CC([NH3+])C2)c[nH+]1 39080305 169301123 /nfs/dbraw/zinc/30/11/23/169301123.db2.gz HYYMTLFBRIPOIW-UHFFFAOYSA-N 2 2 152.201 0.128 10 0 ACAELP Nc1[nH+]cccc1Cn1cc[nH+]c1 52732297 169308827 /nfs/dbraw/zinc/30/88/27/169308827.db2.gz DSFXFSBRWXQWTE-UHFFFAOYSA-N 2 2 174.207 0.909 10 0 ACAELP O=C(Cn1cc[nH+]c1)C1CC[NH2+]CC1 222940917 169324946 /nfs/dbraw/zinc/32/49/46/169324946.db2.gz QKUMEDPOOUUQMW-UHFFFAOYSA-N 2 2 193.250 0.452 10 0 ACAELP [NH3+]C[C@H]1CCn2cc[nH+]c21 24332653 169217279 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UOCDLAUZBUNQAW-JTQLQIEISA-N 2 2 196.294 0.793 10 0 ACAELP O=C1CCCC[C@@H]1[N@H+]1CCC[NH2+]CC1 50153724 169371081 /nfs/dbraw/zinc/37/10/81/169371081.db2.gz UOCDLAUZBUNQAW-JTQLQIEISA-N 2 2 196.294 0.793 10 0 ACAELP O=C1CCCC[C@H]1[N@@H+]1CCC[NH2+]CC1 50153723 169371733 /nfs/dbraw/zinc/37/17/33/169371733.db2.gz UOCDLAUZBUNQAW-SNVBAGLBSA-N 2 2 196.294 0.793 10 0 ACAELP O=C1CCCC[C@H]1[N@H+]1CCC[NH2+]CC1 50153723 169371734 /nfs/dbraw/zinc/37/17/34/169371734.db2.gz UOCDLAUZBUNQAW-SNVBAGLBSA-N 2 2 196.294 0.793 10 0 ACAELP O=C1CCC[C@@H]1[N@@H+]1CCC[NH2+]CC1 50153730 169372917 /nfs/dbraw/zinc/37/29/17/169372917.db2.gz WERGIGJLHGKMCZ-VIFPVBQESA-N 2 2 182.267 0.403 10 0 ACAELP O=C1CCC[C@@H]1[N@H+]1CCC[NH2+]CC1 50153730 169372918 /nfs/dbraw/zinc/37/29/18/169372918.db2.gz WERGIGJLHGKMCZ-VIFPVBQESA-N 2 2 182.267 0.403 10 0 ACAELP O=C1CCC[C@H]1[N@@H+]1CCC[NH2+]CC1 50153732 169373022 /nfs/dbraw/zinc/37/30/22/169373022.db2.gz WERGIGJLHGKMCZ-SECBINFHSA-N 2 2 182.267 0.403 10 0 ACAELP 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/nfs/dbraw/zinc/01/23/73/171012373.db2.gz UDSKVTXPNDUYRA-UHFFFAOYSA-N 3 2 185.315 0.361 10 0 ACAELP C1C[NH+]=C2SC3=C(CC[NH2+]C3)N2C1 11850572 171023624 /nfs/dbraw/zinc/02/36/24/171023624.db2.gz GREGXZWMWGVPHJ-UHFFFAOYSA-N 2 2 195.291 1.000 10 0 ACAELP C[NH+]1CCC([NH2+]CCC[NH3+])CC1 37713098 171037289 /nfs/dbraw/zinc/03/72/89/171037289.db2.gz CLLMYTIKEVCSNP-UHFFFAOYSA-N 3 2 171.288 0.019 10 0 ACAELP C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 38124934 171043891 /nfs/dbraw/zinc/04/38/91/171043891.db2.gz JJOCEPQPUWHMND-UHFFFAOYSA-N 2 2 198.310 0.443 10 0 ACAELP Nc1nc(N)c2cc(C[NH3+])ccc2[nH+]1 25968986 171043933 /nfs/dbraw/zinc/04/39/33/171043933.db2.gz UZVZMGNVBKHJKH-UHFFFAOYSA-N 2 2 189.222 0.253 10 0 ACAELP OC(Cn1cc[nH+]c1)Cn1cc[nH+]c1 28711261 171047837 /nfs/dbraw/zinc/04/78/37/171047837.db2.gz GZZKHMACHPDFFG-UHFFFAOYSA-N 2 2 192.222 0.141 10 0 ACAELP [NH3+]CC(=O)Nc1ccc2[nH+]ccn2c1 31958980 171049405 /nfs/dbraw/zinc/04/94/05/171049405.db2.gz CJRJZNREAYAOFV-UHFFFAOYSA-N 2 2 190.206 0.232 10 0 ACAELP Cn1ccnc1C1([NH3+])CC[NH+](C)CC1 33487490 171051485 /nfs/dbraw/zinc/05/14/85/171051485.db2.gz JILCZIHCWQPHQC-UHFFFAOYSA-N 2 2 194.282 0.300 10 0 ACAELP C[NH+]1CCC([NH3+])(c2ccccn2)CC1 33487489 171051574 /nfs/dbraw/zinc/05/15/74/171051574.db2.gz ZTDFSVYLAXTLIA-UHFFFAOYSA-N 2 2 191.278 0.961 10 0 ACAELP [NH2+]=C1N[C@@H]([NH3+])c2ccccc21 34154303 171052966 /nfs/dbraw/zinc/05/29/66/171052966.db2.gz UBGDVMQNTLSHPQ-SSDOTTSWSA-N 2 2 147.181 0.363 10 0 ACAELP [NH2+]=C1N[C@H]([NH3+])c2ccccc21 34154305 171053039 /nfs/dbraw/zinc/05/30/39/171053039.db2.gz UBGDVMQNTLSHPQ-ZETCQYMHSA-N 2 2 147.181 0.363 10 0 ACAELP CC[NH+](CC)[C@@H](C)[NH3+] 34276295 171054149 /nfs/dbraw/zinc/05/41/49/171054149.db2.gz OMCRQLOCFODCRG-LURJTMIESA-N 2 2 116.208 0.633 10 0 ACAELP [NH3+]C1CC[NH+](Cc2cnccn2)CC1 36754306 171061494 /nfs/dbraw/zinc/06/14/94/171061494.db2.gz NNAYEOLKSMYADG-UHFFFAOYSA-N 2 2 192.266 0.400 10 0 ACAELP [NH3+]C1CC[NH+](CCn2cc[nH+]c2)CC1 36754185 171061502 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186.324 0.915 10 0 ACAELP C[C@]1([N@@H+]2CC[C@H]2C[NH3+])CCOC1 575515833 352491353 /nfs/dbraw/zinc/49/13/53/352491353.db2.gz UCVTVVCGSLGIHR-IUCAKERBSA-N 2 2 170.256 0.198 10 0 ACAELP [NH3+][C@@H]1CCC[C@@H]1[NH+]1CC2(COC2)C1 575509142 352451921 /nfs/dbraw/zinc/45/19/21/352451921.db2.gz VURHKYWPTQYLOK-BDAKNGLRSA-N 2 2 182.267 0.198 10 0 ACAELP [NH3+][C@H]1CCC[C@@H]1[NH+]1CC2(COC2)C1 575509149 352451970 /nfs/dbraw/zinc/45/19/70/352451970.db2.gz VURHKYWPTQYLOK-IUCAKERBSA-N 2 2 182.267 0.198 10 0 ACAELP COC1C[NH+]([C@H]2CC[NH2+][C@H](C)C2)C1 575512662 352473808 /nfs/dbraw/zinc/47/38/08/352473808.db2.gz RXIODXIYEHXKNF-BDAKNGLRSA-N 2 2 184.283 0.458 10 0 ACAELP [NH3+]C1CC([N@H+]2CCC[C@H](F)C2)C1 575513917 352481411 /nfs/dbraw/zinc/48/14/11/352481411.db2.gz BULGPZUIVWMBBX-UEJVZZJDSA-N 2 2 172.247 0.910 10 0 ACAELP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]2C[NH3+])CO1 575513984 352481571 /nfs/dbraw/zinc/48/15/71/352481571.db2.gz HELXFNWFANRQSH-OPRDCNLKSA-N 2 2 184.283 0.587 10 0 ACAELP CC[C@H]([NH3+])[C@H]1C[N@@H+](C)C[C@@H](C)O1 575524815 352532362 /nfs/dbraw/zinc/53/23/62/352532362.db2.gz FVTCNCKYXXFWOX-HRDYMLBCSA-N 2 2 172.272 0.443 10 0 ACAELP CC[C@@H]([NH3+])[C@@H]1C[N@@H+](C)C[C@@H](C)O1 575524814 352532387 /nfs/dbraw/zinc/53/23/87/352532387.db2.gz FVTCNCKYXXFWOX-HLTSFMKQSA-N 2 2 172.272 0.443 10 0 ACAELP Cc1[nH+]c([C@@H](O)C(C)(C)[NH3+])cn1C 575556712 352661075 /nfs/dbraw/zinc/66/10/75/352661075.db2.gz KMTJWAAVNZBBLU-MRVPVSSYSA-N 2 2 183.255 0.499 10 0 ACAELP C[C@H]1CC[C@H]([NH2+]C2CSC2)C[NH2+]1 575549852 352636337 /nfs/dbraw/zinc/63/63/37/352636337.db2.gz NKIQYIIXKWWGAY-YUMQZZPRSA-N 2 2 186.324 0.832 10 0 ACAELP C[C@H]1C[N@H+](C[C@H]2CCCO2)C[C@H]1[NH3+] 575563969 352693778 /nfs/dbraw/zinc/69/37/78/352693778.db2.gz XIMXUCMDWHPSSP-IVZWLZJFSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H]1C[N@@H+](C[C@H]2CCCO2)C[C@H]1[NH3+] 575563969 352693779 /nfs/dbraw/zinc/69/37/79/352693779.db2.gz XIMXUCMDWHPSSP-IVZWLZJFSA-N 2 2 184.283 0.444 10 0 ACAELP CCC1C[NH+]([C@H](C)C(N)=[NH2+])C1 575565523 352702225 /nfs/dbraw/zinc/70/22/25/352702225.db2.gz BZAXHAFQTUJBER-ZCFIWIBFSA-N 2 2 155.245 0.653 10 0 ACAELP Cc1[nH+]cc([C@]2([NH3+])CCOC2)n1C 575565595 352702230 /nfs/dbraw/zinc/70/22/30/352702230.db2.gz ALKBVSYKJOAYPO-VIFPVBQESA-N 2 2 181.239 0.303 10 0 ACAELP C[C@H]1COC[C@H](C)[NH+]1CC1C[NH2+]C1 575575780 352753198 /nfs/dbraw/zinc/75/31/98/352753198.db2.gz FGTXOCOARNVDNN-IUCAKERBSA-N 2 2 184.283 0.315 10 0 ACAELP C[C@@H]1CC[N@@H+]1[C@@H]1CC[NH2+]C[C@@H]1F 575589226 352822363 /nfs/dbraw/zinc/82/23/63/352822363.db2.gz COGMRWGBBQGFRF-HRDYMLBCSA-N 2 2 172.247 0.781 10 0 ACAELP C[C@H]1[C@H](C)C[N@@H+]1C[C@@H]1C[NH2+]CCO1 575590623 352829182 /nfs/dbraw/zinc/82/91/82/352829182.db2.gz JZWAGDASCVWEMK-UTLUCORTSA-N 2 2 184.283 0.315 10 0 ACAELP C[C@@H]1CC[N@@H+]1[C@H]1C[NH2+]CC[C@]1(C)O 575591222 352831563 /nfs/dbraw/zinc/83/15/63/352831563.db2.gz OEYOARZBTYYUMH-UTLUCORTSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1C[C@H]([NH3+])CN1Cc1[nH]cc[nH+]1 575591759 352833781 /nfs/dbraw/zinc/83/37/81/352833781.db2.gz VBCTWIVAQADJJI-SFYZADRCSA-N 2 2 180.255 0.331 10 0 ACAELP C[C@H]1C[C@@H]([NH3+])CN1Cc1[nH]cc[nH+]1 575591756 352833921 /nfs/dbraw/zinc/83/39/21/352833921.db2.gz VBCTWIVAQADJJI-JGVFFNPUSA-N 2 2 180.255 0.331 10 0 ACAELP C[C@H]1CC[N@@H+]1[C@]1(C[NH3+])CCOC1 575591763 352833991 /nfs/dbraw/zinc/83/39/91/352833991.db2.gz RAXIRSCOWSEDMM-IUCAKERBSA-N 2 2 170.256 0.198 10 0 ACAELP C[C@H]1CC[N@H+]1[C@]1(C[NH3+])CCOC1 575591763 352833992 /nfs/dbraw/zinc/83/39/92/352833992.db2.gz RAXIRSCOWSEDMM-IUCAKERBSA-N 2 2 170.256 0.198 10 0 ACAELP C[C@H]1CC[N@H+]1C[C@H]1C[NH2+]CC1(F)F 575592992 352840233 /nfs/dbraw/zinc/84/02/33/352840233.db2.gz UMJQXHSDAYJNHH-JGVFFNPUSA-N 2 2 190.237 0.935 10 0 ACAELP C[NH2+]CC[N@@H+]1C[C@H]2CCC[C@@H]21 575594067 352847291 /nfs/dbraw/zinc/84/72/91/352847291.db2.gz CUZQTNYWVPBYTF-BDAKNGLRSA-N 2 2 154.257 0.690 10 0 ACAELP C[NH2+]CC[N@H+]1C[C@H]2CCC[C@@H]21 575594067 352847292 /nfs/dbraw/zinc/84/72/92/352847292.db2.gz CUZQTNYWVPBYTF-BDAKNGLRSA-N 2 2 154.257 0.690 10 0 ACAELP C[NH2+]CCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643498554 352971956 /nfs/dbraw/zinc/97/19/56/352971956.db2.gz AAQKIMJMVCQQMU-NXEZZACHSA-N 3 2 185.315 0.184 10 0 ACAELP CN(CCC[NH3+])Cc1[nH+]ccn1C 62248596 409402603 /nfs/dbraw/zinc/40/26/03/409402603.db2.gz IWMRDWKDGSOSDJ-UHFFFAOYSA-N 2 2 182.271 0.201 10 0 ACAELP C1CC[NH+](CC2=[NH+]CCN2)C1 306205840 325638987 /nfs/dbraw/zinc/63/89/87/325638987.db2.gz PFQXRUUJVXGSRE-UHFFFAOYSA-N 2 2 153.229 0.084 10 0 ACAELP C[C@@H]1O[C@H](C)[C@H]([NH2+][C@@H]2CC[NH2+]C2)[C@@H]1C 530226177 325666325 /nfs/dbraw/zinc/66/63/25/325666325.db2.gz QGOJLBARQLQEAZ-RCZSTQMZSA-N 2 2 198.310 0.750 10 0 ACAELP C[C@H]1[NH2+]CC[C@@H]1c1c[nH]c[nH+]1 16615 342923995 /nfs/dbraw/zinc/92/39/95/342923995.db2.gz FLOJCNYYPGNYBP-RQJHMYQMSA-N 2 2 151.213 0.875 10 0 in-vivo ACAELP C[NH+](C)CCc1c[nH]c[nH+]1 2031470 342967632 /nfs/dbraw/zinc/96/76/32/342967632.db2.gz ZJDIMSMQXMWMCF-UHFFFAOYSA-N 2 2 139.202 0.514 10 0 endogenous,in-man ACAELP Cc1cc(NC(=O)CC[NH3+])cc[nH+]1 11755261 343024517 /nfs/dbraw/zinc/02/45/17/343024517.db2.gz HICRFMRHTZJXIV-UHFFFAOYSA-N 2 2 179.223 0.677 10 0 ACAELP Cc1cc(NC(=O)C[NH3+])cc[nH+]1 11805427 343025062 /nfs/dbraw/zinc/02/50/62/343025062.db2.gz FQEDZRJHWUHOEK-UHFFFAOYSA-N 2 2 165.196 0.287 10 0 ACAELP Cc1cc(N2CCC[C@H]2C[NH3+])nc[nH+]1 11849440 343025511 /nfs/dbraw/zinc/02/55/11/343025511.db2.gz OXVNUKVVPKJBPP-VIFPVBQESA-N 2 2 192.266 0.713 10 0 ACAELP Cc1cc(N2CCC[C@@H]2C[NH3+])nc[nH+]1 11849439 343025699 /nfs/dbraw/zinc/02/56/99/343025699.db2.gz OXVNUKVVPKJBPP-SECBINFHSA-N 2 2 192.266 0.713 10 0 ACAELP C[N@@H+]1C[C@@H](C[NH3+])OC(C)(C)C1 11884235 343025927 /nfs/dbraw/zinc/02/59/27/343025927.db2.gz LBUMTKWSFZLUOP-SSDOTTSWSA-N 2 2 158.245 0.054 10 0 ACAELP C[N@H+]1C[C@@H](C[NH3+])OC(C)(C)C1 11884235 343025928 /nfs/dbraw/zinc/02/59/28/343025928.db2.gz LBUMTKWSFZLUOP-SSDOTTSWSA-N 2 2 158.245 0.054 10 0 ACAELP C[N@@H+]1CCc2nc(C[NH3+])sc2C1 11886842 343026017 /nfs/dbraw/zinc/02/60/17/343026017.db2.gz DMDVWEMATARTFW-UHFFFAOYSA-N 2 2 183.280 0.590 10 0 ACAELP C[N@H+]1CCc2nc(C[NH3+])sc2C1 11886842 343026019 /nfs/dbraw/zinc/02/60/19/343026019.db2.gz DMDVWEMATARTFW-UHFFFAOYSA-N 2 2 183.280 0.590 10 0 ACAELP C[N@@H+]1C[C@H](C[NH3+])OC(C)(C)C1 11884238 343026153 /nfs/dbraw/zinc/02/61/53/343026153.db2.gz LBUMTKWSFZLUOP-ZETCQYMHSA-N 2 2 158.245 0.054 10 0 ACAELP C[N@H+]1C[C@H](C[NH3+])OC(C)(C)C1 11884238 343026156 /nfs/dbraw/zinc/02/61/56/343026156.db2.gz LBUMTKWSFZLUOP-ZETCQYMHSA-N 2 2 158.245 0.054 10 0 ACAELP C[C@H]1[NH2+]CC[C@H]1c1c[nH]c[nH+]1 13902687 343038356 /nfs/dbraw/zinc/03/83/56/343038356.db2.gz FLOJCNYYPGNYBP-RNFRBKRXSA-N 2 2 151.213 0.875 10 0 ACAELP CC1=[NH+]CC[NH2+][C@@H](C)C1 19911600 343064087 /nfs/dbraw/zinc/06/40/87/343064087.db2.gz HEGWOFVFYJFULY-LURJTMIESA-N 2 2 126.203 0.829 10 0 ACAELP CC1=[NH+]CC[NH2+][C@H](C)C1 19911592 343064203 /nfs/dbraw/zinc/06/42/03/343064203.db2.gz HEGWOFVFYJFULY-ZCFIWIBFSA-N 2 2 126.203 0.829 10 0 ACAELP C[C@](C[NH3+])(C1CC1)[NH+]1CCOCC1 21953864 343076424 /nfs/dbraw/zinc/07/64/24/343076424.db2.gz ZJXXGXZRYITTGR-JTQLQIEISA-N 2 2 184.283 0.446 10 0 ACAELP C[C@H]1C[NH2+][C@H](C)CN1Cc1c[nH+]c[nH]1 22442721 343081139 /nfs/dbraw/zinc/08/11/39/343081139.db2.gz CALAITUCALLCPL-BDAKNGLRSA-N 2 2 194.282 0.592 10 0 ACAELP C[C@H]1C[NH2+][C@H](C)CN1Cc1c[nH]c[nH+]1 22442721 343081140 /nfs/dbraw/zinc/08/11/40/343081140.db2.gz CALAITUCALLCPL-BDAKNGLRSA-N 2 2 194.282 0.592 10 0 ACAELP CC[C@H](C[NH3+])[NH+]1C[C@H](C)O[C@@H](C)C1 22219080 343081174 /nfs/dbraw/zinc/08/11/74/343081174.db2.gz ARGVTOKJIDPMPW-LPEHRKFASA-N 2 2 186.299 0.833 10 0 ACAELP CC(C)[C@H](C[NH3+])[N@@H+]1CCO[C@@H](C)C1 22217137 343081412 /nfs/dbraw/zinc/08/14/12/343081412.db2.gz IRADVDLRWAKROR-UWVGGRQHSA-N 2 2 186.299 0.690 10 0 ACAELP CC(C)[C@H](C[NH3+])[N@H+]1CCO[C@@H](C)C1 22217137 343081414 /nfs/dbraw/zinc/08/14/14/343081414.db2.gz IRADVDLRWAKROR-UWVGGRQHSA-N 2 2 186.299 0.690 10 0 ACAELP CC[C@H](C[NH3+])[N@@H+]1C[C@H](C)O[C@H](C)C1 22219074 343081433 /nfs/dbraw/zinc/08/14/33/343081433.db2.gz ARGVTOKJIDPMPW-KXUCPTDWSA-N 2 2 186.299 0.833 10 0 ACAELP CC[C@H](C[NH3+])[N@H+]1C[C@H](C)O[C@H](C)C1 22219074 343081435 /nfs/dbraw/zinc/08/14/35/343081435.db2.gz ARGVTOKJIDPMPW-KXUCPTDWSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H](C)[NH2+]1 22442716 343081446 /nfs/dbraw/zinc/08/14/46/343081446.db2.gz HDMNMEVJHVROEU-DTORHVGOSA-N 2 2 194.282 0.592 10 0 ACAELP CC[C@@H](C[NH3+])[N@@H+]1C[C@H](C)O[C@H](C)C1 22219071 343081475 /nfs/dbraw/zinc/08/14/75/343081475.db2.gz ARGVTOKJIDPMPW-AEJSXWLSSA-N 2 2 186.299 0.833 10 0 ACAELP CC[C@@H](C[NH3+])[N@H+]1C[C@H](C)O[C@H](C)C1 22219071 343081476 /nfs/dbraw/zinc/08/14/76/343081476.db2.gz ARGVTOKJIDPMPW-AEJSXWLSSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@H]1C[N@@H+]([C@@H]2CCC[C@@H]2[NH3+])C[C@@H](C)O1 22565681 343081735 /nfs/dbraw/zinc/08/17/35/343081735.db2.gz FZBZJYRMRZGMKY-ZRUFSTJUSA-N 2 2 198.310 0.975 10 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10 0 ACAELP Cc1nc(N2CC[C@H](C[NH3+])C2)cc[nH+]1 54936861 343332236 /nfs/dbraw/zinc/33/22/36/343332236.db2.gz CLRKMGKDJGJCGU-SECBINFHSA-N 2 2 192.266 0.570 10 0 ACAELP Cc1nc(N[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 54936152 343332252 /nfs/dbraw/zinc/33/22/52/343332252.db2.gz MSLUBKIGQJIUKK-SECBINFHSA-N 2 2 192.266 0.901 10 0 ACAELP Cc1nc(N[C@@H]2CC[N@H+](C)C2)cc[nH+]1 54936152 343332254 /nfs/dbraw/zinc/33/22/54/343332254.db2.gz MSLUBKIGQJIUKK-SECBINFHSA-N 2 2 192.266 0.901 10 0 ACAELP Cc1nc(N2CCC[C@@H]2C[NH3+])cc[nH+]1 54937505 343332271 /nfs/dbraw/zinc/33/22/71/343332271.db2.gz DCXDAYJCKHRSTM-SECBINFHSA-N 2 2 192.266 0.713 10 0 ACAELP Cc1nc(N2CC[C@@H](C[NH3+])C2)cc[nH+]1 54936864 343332277 /nfs/dbraw/zinc/33/22/77/343332277.db2.gz CLRKMGKDJGJCGU-VIFPVBQESA-N 2 2 192.266 0.570 10 0 ACAELP C[NH2+]CCNc1cc[nH+]c(C)n1 54936894 343332299 /nfs/dbraw/zinc/33/22/99/343332299.db2.gz NGRYROXXKVUPCU-UHFFFAOYSA-N 2 2 166.228 0.416 10 0 ACAELP Cc1nc(NC2CC([NH3+])C2)cc[nH+]1 54936729 343332306 /nfs/dbraw/zinc/33/23/06/343332306.db2.gz HFTBMPOFEZDHJK-UHFFFAOYSA-N 2 2 178.239 0.687 10 0 ACAELP CC(C)[C@H]([NH3+])Cc1[nH+]ccn1C 57380540 343336964 /nfs/dbraw/zinc/33/69/64/343336964.db2.gz CRCQIJRAFJNVIC-MRVPVSSYSA-N 2 2 167.256 0.946 10 0 ACAELP CC(C)[C@@H]([NH3+])Cc1[nH+]ccn1C 57380541 343336986 /nfs/dbraw/zinc/33/69/86/343336986.db2.gz CRCQIJRAFJNVIC-QMMMGPOBSA-N 2 2 167.256 0.946 10 0 ACAELP C[C@H]([NH3+])[NH+]1CCCC1 59031244 343341943 /nfs/dbraw/zinc/34/19/43/343341943.db2.gz HHHYHUQJPFJAMM-ZCFIWIBFSA-N 2 2 114.192 0.387 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCCC[C@@H]1CO 59184550 343342447 /nfs/dbraw/zinc/34/24/47/343342447.db2.gz BVQCFSHSOYFGTE-JGVFFNPUSA-N 2 2 185.271 0.158 10 0 ACAELP C[C@H](C(N)=[NH2+])[N@H+](C)C1CCOCC1 59184497 343342503 /nfs/dbraw/zinc/34/25/03/343342503.db2.gz QTYWNEAFLHLIAF-SSDOTTSWSA-N 2 2 185.271 0.422 10 0 ACAELP C[C@H](C(N)=[NH2+])[N@@H+](C)C1CCOCC1 59184497 343342506 /nfs/dbraw/zinc/34/25/06/343342506.db2.gz QTYWNEAFLHLIAF-SSDOTTSWSA-N 2 2 185.271 0.422 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCC[C@H](CO)C1 59184486 343342566 /nfs/dbraw/zinc/34/25/66/343342566.db2.gz VMQAYLZBFGWHKV-YUMQZZPRSA-N 2 2 185.271 0.015 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCC[C@H](CO)C1 59184486 343342568 /nfs/dbraw/zinc/34/25/68/343342568.db2.gz VMQAYLZBFGWHKV-YUMQZZPRSA-N 2 2 185.271 0.015 10 0 ACAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCCC[C@@H]1CO 59184553 343342598 /nfs/dbraw/zinc/34/25/98/343342598.db2.gz BVQCFSHSOYFGTE-HTQZYQBOSA-N 2 2 185.271 0.158 10 0 ACAELP C[C@H](C(N)=[NH2+])[N@H+]1CCCC[C@@H]1CO 59184553 343342599 /nfs/dbraw/zinc/34/25/99/343342599.db2.gz BVQCFSHSOYFGTE-HTQZYQBOSA-N 2 2 185.271 0.158 10 0 ACAELP C[C@H](C(N)=[NH2+])[NH+]1CCCCC1 59184405 343342604 /nfs/dbraw/zinc/34/26/04/343342604.db2.gz JVWOZWWAIBVMQA-SSDOTTSWSA-N 2 2 155.245 0.797 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@H+](C)C1CCOCC1 59184493 343342673 /nfs/dbraw/zinc/34/26/73/343342673.db2.gz QTYWNEAFLHLIAF-ZETCQYMHSA-N 2 2 185.271 0.422 10 0 ACAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCC[C@H](CO)C1 59184489 343342768 /nfs/dbraw/zinc/34/27/68/343342768.db2.gz VMQAYLZBFGWHKV-SFYZADRCSA-N 2 2 185.271 0.015 10 0 ACAELP C[C@H](C(N)=[NH2+])[N@H+]1CCC[C@H](CO)C1 59184489 343342770 /nfs/dbraw/zinc/34/27/70/343342770.db2.gz VMQAYLZBFGWHKV-SFYZADRCSA-N 2 2 185.271 0.015 10 0 ACAELP CC[C@H](C(N)=[NH2+])[N@H+]1CCC[C@H](O)C1 59187355 343342919 /nfs/dbraw/zinc/34/29/19/343342919.db2.gz YYIBFPRSXNOPOB-JGVFFNPUSA-N 2 2 185.271 0.158 10 0 ACAELP CC[C@H](C(N)=[NH2+])[N@@H+]1CCC[C@H](O)C1 59187355 343342918 /nfs/dbraw/zinc/34/29/18/343342918.db2.gz YYIBFPRSXNOPOB-JGVFFNPUSA-N 2 2 185.271 0.158 10 0 ACAELP CC[C@@H](C(N)=[NH2+])[N@@H+]1CCC[C@H](O)C1 59187353 343342960 /nfs/dbraw/zinc/34/29/60/343342960.db2.gz YYIBFPRSXNOPOB-YUMQZZPRSA-N 2 2 185.271 0.158 10 0 ACAELP CC[C@@H](C(N)=[NH2+])[N@H+]1CCC[C@H](O)C1 59187353 343342961 /nfs/dbraw/zinc/34/29/61/343342961.db2.gz YYIBFPRSXNOPOB-YUMQZZPRSA-N 2 2 185.271 0.158 10 0 ACAELP COc1cc(NCC[NH3+])ccc1[NH3+] 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61148138 343355744 /nfs/dbraw/zinc/35/57/44/343355744.db2.gz YSONMYDNURXAHR-QWRGUYRKSA-N 2 2 198.310 0.564 10 0 ACAELP C[N@H+](CC[NH3+])[C@@H]1CCCSC1 61590691 343357903 /nfs/dbraw/zinc/35/79/03/343357903.db2.gz GYCHZAYNZPVNQP-MRVPVSSYSA-N 2 2 174.313 0.773 10 0 ACAELP C[N@@H+](CC[NH3+])[C@@H]1CCCSC1 61590691 343357905 /nfs/dbraw/zinc/35/79/05/343357905.db2.gz GYCHZAYNZPVNQP-MRVPVSSYSA-N 2 2 174.313 0.773 10 0 ACAELP C[NH+](C)Cc1cccnc1C(N)=[NH2+] 61657861 343358586 /nfs/dbraw/zinc/35/85/86/343358586.db2.gz JMTSBQNJLBIVON-UHFFFAOYSA-N 2 2 178.239 0.427 10 0 ACAELP C[C@H]([NH3+])[C@H](C)c1[nH+]ccn1C 63029095 343397400 /nfs/dbraw/zinc/39/74/00/343397400.db2.gz ZXJSDETZKXLBHM-BQBZGAKWSA-N 2 2 153.229 0.871 10 0 ACAELP C[C@H](C[NH3+])[N@@H+]1CCCOCC1 61914908 343367189 /nfs/dbraw/zinc/36/71/89/343367189.db2.gz GKAMNCCYXZPJSC-MRVPVSSYSA-N 2 2 158.245 0.056 10 0 ACAELP C[C@H]1C[N@@H+]([C@@H](C)C(N)=[NH2+])CCCO1 61918995 343366999 /nfs/dbraw/zinc/36/69/99/343366999.db2.gz 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10 0 ACAELP C[C@H]1C[N@H+]([C@@H](C)C[NH3+])CCCO1 61914758 343367143 /nfs/dbraw/zinc/36/71/43/343367143.db2.gz ZWLGYXXRLSGVNX-IUCAKERBSA-N 2 2 172.272 0.444 10 0 ACAELP C[C@H]1C[N@@H+]([C@@H](C)C[NH3+])CCCO1 61914758 343367144 /nfs/dbraw/zinc/36/71/44/343367144.db2.gz ZWLGYXXRLSGVNX-IUCAKERBSA-N 2 2 172.272 0.444 10 0 ACAELP CC[C@@H](C(N)=[NH2+])[N@@H+]1CCCOCC1 61919020 343367170 /nfs/dbraw/zinc/36/71/70/343367170.db2.gz AFXWOVIITMFKLX-QMMMGPOBSA-N 2 2 185.271 0.423 10 0 ACAELP CC[C@@H](C(N)=[NH2+])[N@H+]1CCCOCC1 61919020 343367172 /nfs/dbraw/zinc/36/71/72/343367172.db2.gz AFXWOVIITMFKLX-QMMMGPOBSA-N 2 2 185.271 0.423 10 0 ACAELP C[C@H]1C[N@@H+]([C@@H]2CCC[NH2+]C2)CCCO1 61918640 343367242 /nfs/dbraw/zinc/36/72/42/343367242.db2.gz ZJPWWJMBHZEQEV-WDEREUQCSA-N 2 2 198.310 0.849 10 0 ACAELP C[C@H]1C[N@H+]([C@@H]2CCC[NH2+]C2)CCCO1 61918640 343367245 /nfs/dbraw/zinc/36/72/45/343367245.db2.gz ZJPWWJMBHZEQEV-WDEREUQCSA-N 2 2 198.310 0.849 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CCCOCC1 61917546 343367409 /nfs/dbraw/zinc/36/74/09/343367409.db2.gz NQNFORCCTPARMR-DTWKUNHWSA-N 2 2 172.272 0.444 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCCOCC1 61917546 343367411 /nfs/dbraw/zinc/36/74/11/343367411.db2.gz NQNFORCCTPARMR-DTWKUNHWSA-N 2 2 172.272 0.444 10 0 ACAELP C[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]2)CCCO1 61918608 343367446 /nfs/dbraw/zinc/36/74/46/343367446.db2.gz DZOBEGVKXWZVOG-QWRGUYRKSA-N 2 2 198.310 0.849 10 0 ACAELP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]2)CCCO1 61918608 343367449 /nfs/dbraw/zinc/36/74/49/343367449.db2.gz DZOBEGVKXWZVOG-QWRGUYRKSA-N 2 2 198.310 0.849 10 0 ACAELP CC(C)[C@@H]([NH3+])C[N@@H+]1CCCOCC1 61934909 343367698 /nfs/dbraw/zinc/36/76/98/343367698.db2.gz DTXPFGVNTKZMGK-JTQLQIEISA-N 2 2 186.299 0.692 10 0 ACAELP CC(C)[C@@H]([NH3+])C[N@H+]1CCCOCC1 61934909 343367700 /nfs/dbraw/zinc/36/77/00/343367700.db2.gz DTXPFGVNTKZMGK-JTQLQIEISA-N 2 2 186.299 0.692 10 0 ACAELP CC[C@H](C(N)=[NH2+])[N@@H+]1CCCOCC1 61919021 343367848 /nfs/dbraw/zinc/36/78/48/343367848.db2.gz AFXWOVIITMFKLX-MRVPVSSYSA-N 2 2 185.271 0.423 10 0 ACAELP C[NH2+]C(C)(C)C[N@@H+]1CCCOCC1 61934725 343367904 /nfs/dbraw/zinc/36/79/04/343367904.db2.gz RNBBWFRZXVSYQA-UHFFFAOYSA-N 2 2 186.299 0.707 10 0 ACAELP C[NH2+]C(C)(C)C[N@H+]1CCCOCC1 61934725 343367906 /nfs/dbraw/zinc/36/79/06/343367906.db2.gz RNBBWFRZXVSYQA-UHFFFAOYSA-N 2 2 186.299 0.707 10 0 ACAELP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 61989360 343368460 /nfs/dbraw/zinc/36/84/60/343368460.db2.gz ZDHSKVINJSOGMB-QWRGUYRKSA-N 2 2 198.310 0.707 10 0 ACAELP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 61989360 343368462 /nfs/dbraw/zinc/36/84/62/343368462.db2.gz ZDHSKVINJSOGMB-QWRGUYRKSA-N 2 2 198.310 0.707 10 0 ACAELP C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)C1 61989895 343368488 /nfs/dbraw/zinc/36/84/88/343368488.db2.gz USJUZUCJLCGGRL-IWSPIJDZSA-N 2 2 154.257 0.689 10 0 ACAELP C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C1 61989895 343368490 /nfs/dbraw/zinc/36/84/90/343368490.db2.gz USJUZUCJLCGGRL-IWSPIJDZSA-N 2 2 154.257 0.689 10 0 ACAELP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 61989362 343368507 /nfs/dbraw/zinc/36/85/07/343368507.db2.gz ZDHSKVINJSOGMB-WDEREUQCSA-N 2 2 198.310 0.707 10 0 ACAELP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 61989362 343368509 /nfs/dbraw/zinc/36/85/09/343368509.db2.gz ZDHSKVINJSOGMB-WDEREUQCSA-N 2 2 198.310 0.707 10 0 ACAELP C[N@@H+]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 61989880 343368678 /nfs/dbraw/zinc/36/86/78/343368678.db2.gz GPEKZZJASWACSB-VQXHTEKXSA-N 3 2 197.326 0.550 10 0 ACAELP C[N@H+]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 61989880 343368680 /nfs/dbraw/zinc/36/86/80/343368680.db2.gz GPEKZZJASWACSB-VQXHTEKXSA-N 3 2 197.326 0.550 10 0 ACAELP C[N@@H+]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 61989876 343368702 /nfs/dbraw/zinc/36/87/02/343368702.db2.gz GPEKZZJASWACSB-ILDUYXDCSA-N 3 2 197.326 0.550 10 0 ACAELP C[N@H+]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 61989876 343368704 /nfs/dbraw/zinc/36/87/04/343368704.db2.gz GPEKZZJASWACSB-ILDUYXDCSA-N 3 2 197.326 0.550 10 0 ACAELP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C1 61989893 343368868 /nfs/dbraw/zinc/36/88/68/343368868.db2.gz USJUZUCJLCGGRL-HLTSFMKQSA-N 2 2 154.257 0.689 10 0 ACAELP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C1 61989893 343368870 /nfs/dbraw/zinc/36/88/70/343368870.db2.gz USJUZUCJLCGGRL-HLTSFMKQSA-N 2 2 154.257 0.689 10 0 ACAELP CC(C)[NH2+][C@@]1(CO)CC[N@H+](C)C1 61992127 343369278 /nfs/dbraw/zinc/36/92/78/343369278.db2.gz FTEJKRDFYSUYDD-VIFPVBQESA-N 2 2 172.272 0.051 10 0 ACAELP CC(C)[NH2+][C@@]1(CO)CC[N@@H+](C)C1 61992127 343369280 /nfs/dbraw/zinc/36/92/80/343369280.db2.gz FTEJKRDFYSUYDD-VIFPVBQESA-N 2 2 172.272 0.051 10 0 ACAELP CC(C)[NH2+][C@]1(CO)CC[N@H+](C)C1 61992126 343369566 /nfs/dbraw/zinc/36/95/66/343369566.db2.gz FTEJKRDFYSUYDD-SECBINFHSA-N 2 2 172.272 0.051 10 0 ACAELP CC(C)[NH2+][C@]1(CO)CC[N@@H+](C)C1 61992126 343369569 /nfs/dbraw/zinc/36/95/69/343369569.db2.gz FTEJKRDFYSUYDD-SECBINFHSA-N 2 2 172.272 0.051 10 0 ACAELP NC(=[NH2+])CC[N@@H+]1CCn2ccnc2C1 62252690 343373204 /nfs/dbraw/zinc/37/32/04/343373204.db2.gz NFZYXACNNNCXTF-UHFFFAOYSA-N 2 2 193.254 0.025 10 0 ACAELP NC(=[NH2+])CC[N@H+]1CCn2ccnc2C1 62252690 343373207 /nfs/dbraw/zinc/37/32/07/343373207.db2.gz NFZYXACNNNCXTF-UHFFFAOYSA-N 2 2 193.254 0.025 10 0 ACAELP C[C@H](CC[NH3+])[N@@H+]1CCn2ccnc2C1 62248326 343373214 /nfs/dbraw/zinc/37/32/14/343373214.db2.gz FKWDCKLSACMYJX-SECBINFHSA-N 2 2 194.282 0.436 10 0 ACAELP C[C@H](CC[NH3+])[N@H+]1CCn2ccnc2C1 62248326 343373217 /nfs/dbraw/zinc/37/32/17/343373217.db2.gz FKWDCKLSACMYJX-SECBINFHSA-N 2 2 194.282 0.436 10 0 ACAELP C[C@H](CC[NH3+])N1CCn2cc[nH+]c2C1 62248326 343373218 /nfs/dbraw/zinc/37/32/18/343373218.db2.gz FKWDCKLSACMYJX-SECBINFHSA-N 2 2 194.282 0.436 10 0 ACAELP C[C@H](C[NH3+])C[N@@H+]1CCn2ccnc2C1 62248400 343373299 /nfs/dbraw/zinc/37/32/99/343373299.db2.gz GXUUMYZRMOGIQF-SECBINFHSA-N 2 2 194.282 0.294 10 0 ACAELP C[C@H](C[NH3+])C[N@H+]1CCn2ccnc2C1 62248400 343373301 /nfs/dbraw/zinc/37/33/01/343373301.db2.gz GXUUMYZRMOGIQF-SECBINFHSA-N 2 2 194.282 0.294 10 0 ACAELP C[C@H]([NH3+])CN1CCn2cc[nH+]c2C1 62250361 343373318 /nfs/dbraw/zinc/37/33/18/343373318.db2.gz YKKCHAUCASQGLJ-QMMMGPOBSA-N 2 2 180.255 0.046 10 0 ACAELP C[C@H]([NH3+])CC[N@H+]1CCn2ccnc2C1 62250639 343373339 /nfs/dbraw/zinc/37/33/39/343373339.db2.gz QZCKBKADBQOYAO-VIFPVBQESA-N 2 2 194.282 0.436 10 0 ACAELP C[C@H](C[NH3+])N1CCn2cc[nH+]c2C1 62248354 343373361 /nfs/dbraw/zinc/37/33/61/343373361.db2.gz BAUSGORIHAZNSH-MRVPVSSYSA-N 2 2 180.255 0.046 10 0 ACAELP C[C@@H](C(N)=[NH2+])N1CCn2cc[nH+]c2C1 62252712 343373390 /nfs/dbraw/zinc/37/33/90/343373390.db2.gz JAOKMAKFTMLART-ZETCQYMHSA-N 2 2 193.254 0.023 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)N1CCn2cc[nH+]c2C1 62250715 343373455 /nfs/dbraw/zinc/37/34/55/343373455.db2.gz XOEHGNKKJBYBMW-DTWKUNHWSA-N 2 2 194.282 0.434 10 0 ACAELP CC[C@@H](C[NH3+])N1CCn2cc[nH+]c2C1 62248359 343373489 /nfs/dbraw/zinc/37/34/89/343373489.db2.gz WHFVWFCTXDTBGN-VIFPVBQESA-N 2 2 194.282 0.436 10 0 ACAELP CN(Cc1[nH+]ccn1C)[C@H]1CC[NH2+]C1 62252292 343373493 /nfs/dbraw/zinc/37/34/93/343373493.db2.gz VECHKYLMIWKODN-VIFPVBQESA-N 2 2 194.282 0.214 10 0 ACAELP c1cn2c([nH+]1)CN([C@H]1CC[NH2+]C1)CC2 62252221 343373496 /nfs/dbraw/zinc/37/34/96/343373496.db2.gz WMEMBFULYKKNKB-VIFPVBQESA-N 2 2 192.266 0.061 10 0 ACAELP CC[C@H]([NH3+])CN1CCn2cc[nH+]c2C1 62250677 343373505 /nfs/dbraw/zinc/37/35/05/343373505.db2.gz RSXWVSXYGATSHG-VIFPVBQESA-N 2 2 194.282 0.436 10 0 ACAELP CN(Cc1[nH+]ccn1C)[C@@H]1CC[NH2+]C1 62252289 343373516 /nfs/dbraw/zinc/37/35/16/343373516.db2.gz VECHKYLMIWKODN-SECBINFHSA-N 2 2 194.282 0.214 10 0 ACAELP C[C@H]([NH3+])[C@H](C)N1CCn2cc[nH+]c2C1 62250720 343373529 /nfs/dbraw/zinc/37/35/29/343373529.db2.gz XOEHGNKKJBYBMW-IUCAKERBSA-N 2 2 194.282 0.434 10 0 ACAELP [NH3+][C@H]1CCCN(Cc2c[nH+]c[nH]2)C1 62821815 343382259 /nfs/dbraw/zinc/38/22/59/343382259.db2.gz KEIKJBCFSVVVMJ-QMMMGPOBSA-N 2 2 180.255 0.333 10 0 ACAELP [NH3+][C@H]1CCCN(Cc2c[nH]c[nH+]2)C1 62821815 343382261 /nfs/dbraw/zinc/38/22/61/343382261.db2.gz KEIKJBCFSVVVMJ-QMMMGPOBSA-N 2 2 180.255 0.333 10 0 ACAELP C[NH2+][C@@H]1CCCN(Cc2c[nH+]c[nH]2)C1 62821828 343382358 /nfs/dbraw/zinc/38/23/58/343382358.db2.gz IAYHIXPWTUYHNU-SECBINFHSA-N 2 2 194.282 0.594 10 0 ACAELP C[NH2+][C@@H]1CCCN(Cc2c[nH]c[nH+]2)C1 62821828 343382360 /nfs/dbraw/zinc/38/23/60/343382360.db2.gz IAYHIXPWTUYHNU-SECBINFHSA-N 2 2 194.282 0.594 10 0 ACAELP [NH3+]Cc1c[nH+]c(N2CCCCC2)[nH]1 62820833 343382415 /nfs/dbraw/zinc/38/24/15/343382415.db2.gz KKPBHTPIUBLIMH-UHFFFAOYSA-N 2 2 180.255 0.859 10 0 ACAELP [NH3+]C[C@H]1CC[N@H+](Cc2cnc[nH]2)C1 62821824 343382423 /nfs/dbraw/zinc/38/24/23/343382423.db2.gz ZRFFEPVWURSNJD-MRVPVSSYSA-N 2 2 180.255 0.190 10 0 ACAELP [NH3+]C[C@H]1CC[N@@H+](Cc2cnc[nH]2)C1 62821824 343382426 /nfs/dbraw/zinc/38/24/26/343382426.db2.gz ZRFFEPVWURSNJD-MRVPVSSYSA-N 2 2 180.255 0.190 10 0 ACAELP [NH3+]C[C@H]1CC[N@H+](Cc2c[nH]cn2)C1 62821824 343382428 /nfs/dbraw/zinc/38/24/28/343382428.db2.gz ZRFFEPVWURSNJD-MRVPVSSYSA-N 2 2 180.255 0.190 10 0 ACAELP [NH3+]C[C@H]1CC[N@@H+](Cc2c[nH]cn2)C1 62821824 343382430 /nfs/dbraw/zinc/38/24/30/343382430.db2.gz ZRFFEPVWURSNJD-MRVPVSSYSA-N 2 2 180.255 0.190 10 0 ACAELP [NH3+]C[C@H]1CCCCN1Cc1c[nH+]c[nH]1 62821820 343382481 /nfs/dbraw/zinc/38/24/81/343382481.db2.gz ZGWYKNONFBWNHV-SNVBAGLBSA-N 2 2 194.282 0.723 10 0 ACAELP [NH3+]C[C@H]1CCCCN1Cc1c[nH]c[nH+]1 62821820 343382483 /nfs/dbraw/zinc/38/24/83/343382483.db2.gz ZGWYKNONFBWNHV-SNVBAGLBSA-N 2 2 194.282 0.723 10 0 ACAELP [NH3+]C[C@@H]1CCCCN1Cc1c[nH+]c[nH]1 62821821 343382492 /nfs/dbraw/zinc/38/24/92/343382492.db2.gz ZGWYKNONFBWNHV-JTQLQIEISA-N 2 2 194.282 0.723 10 0 ACAELP [NH3+]C[C@@H]1CCCCN1Cc1c[nH]c[nH+]1 62821821 343382495 /nfs/dbraw/zinc/38/24/95/343382495.db2.gz ZGWYKNONFBWNHV-JTQLQIEISA-N 2 2 194.282 0.723 10 0 ACAELP [NH3+]C[C@@H]1CC[N@H+](Cc2cnc[nH]2)C1 62821825 343382531 /nfs/dbraw/zinc/38/25/31/343382531.db2.gz ZRFFEPVWURSNJD-QMMMGPOBSA-N 2 2 180.255 0.190 10 0 ACAELP [NH3+]C[C@@H]1CC[N@@H+](Cc2cnc[nH]2)C1 62821825 343382533 /nfs/dbraw/zinc/38/25/33/343382533.db2.gz ZRFFEPVWURSNJD-QMMMGPOBSA-N 2 2 180.255 0.190 10 0 ACAELP [NH3+]C[C@@H]1CC[N@H+](Cc2c[nH]cn2)C1 62821825 343382534 /nfs/dbraw/zinc/38/25/34/343382534.db2.gz ZRFFEPVWURSNJD-QMMMGPOBSA-N 2 2 180.255 0.190 10 0 ACAELP [NH3+]C[C@@H]1CC[N@@H+](Cc2c[nH]cn2)C1 62821825 343382537 /nfs/dbraw/zinc/38/25/37/343382537.db2.gz ZRFFEPVWURSNJD-QMMMGPOBSA-N 2 2 180.255 0.190 10 0 ACAELP [NH3+]Cc1c[nH+]c(N2CCCC2)[nH]1 62820829 343382595 /nfs/dbraw/zinc/38/25/95/343382595.db2.gz VQOSEQXOBVQRAD-UHFFFAOYSA-N 2 2 166.228 0.469 10 0 ACAELP [NH3+]C[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 62821818 343382659 /nfs/dbraw/zinc/38/26/59/343382659.db2.gz CENODKAJCDGZAP-SECBINFHSA-N 2 2 194.282 0.580 10 0 ACAELP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 62821818 343382662 /nfs/dbraw/zinc/38/26/62/343382662.db2.gz CENODKAJCDGZAP-SECBINFHSA-N 2 2 194.282 0.580 10 0 ACAELP [NH3+]C[C@H]1CCC[N@H+](Cc2c[nH]cn2)C1 62821818 343382664 /nfs/dbraw/zinc/38/26/64/343382664.db2.gz 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343740940 /nfs/dbraw/zinc/74/09/40/343740940.db2.gz BGALUHYGNFJBDN-ZCFIWIBFSA-N 2 2 160.286 0.381 10 0 ACAELP C[C@@H](C[NH3+])[N@H+](C)C1CSC1 107119909 343740958 /nfs/dbraw/zinc/74/09/58/343740958.db2.gz BGALUHYGNFJBDN-LURJTMIESA-N 2 2 160.286 0.381 10 0 ACAELP C[C@@H](C[NH3+])[N@@H+](C)C1CSC1 107119909 343740961 /nfs/dbraw/zinc/74/09/61/343740961.db2.gz BGALUHYGNFJBDN-LURJTMIESA-N 2 2 160.286 0.381 10 0 ACAELP C[C@@H](C[NH3+])[N@H+](C)[C@@H]1CCOC1 107119244 343741006 /nfs/dbraw/zinc/74/10/06/343741006.db2.gz QVZIEJWFKWAUAJ-JGVFFNPUSA-N 2 2 158.245 0.054 10 0 ACAELP C[C@@H](C[NH3+])[N@@H+](C)[C@@H]1CCOC1 107119244 343741009 /nfs/dbraw/zinc/74/10/09/343741009.db2.gz QVZIEJWFKWAUAJ-JGVFFNPUSA-N 2 2 158.245 0.054 10 0 ACAELP C[C@H](C[NH3+])[N@H+](C)[C@@H]1CCOC1 107119245 343741143 /nfs/dbraw/zinc/74/11/43/343741143.db2.gz QVZIEJWFKWAUAJ-HTQZYQBOSA-N 2 2 158.245 0.054 10 0 ACAELP C[C@H](C[NH3+])[N@@H+](C)[C@@H]1CCOC1 107119245 343741145 /nfs/dbraw/zinc/74/11/45/343741145.db2.gz 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2 2 158.245 0.054 10 0 ACAELP C[C@H]1C[N@H+](CC(C)(C)[NH3+])[C@@H](C)CO1 217365921 344401203 /nfs/dbraw/zinc/40/12/03/344401203.db2.gz FTRYCUYCYMCCQR-IUCAKERBSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@H]1C[N@@H+](CC(C)(C)[NH3+])[C@@H](C)CO1 217365921 344401205 /nfs/dbraw/zinc/40/12/05/344401205.db2.gz FTRYCUYCYMCCQR-IUCAKERBSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@H]1CO[C@H](C)C[N@@H+]1CC(C)(C)[NH3+] 217365834 344401221 /nfs/dbraw/zinc/40/12/21/344401221.db2.gz FTRYCUYCYMCCQR-DTWKUNHWSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@H]1CO[C@H](C)C[N@H+]1CC(C)(C)[NH3+] 217365834 344401223 /nfs/dbraw/zinc/40/12/23/344401223.db2.gz FTRYCUYCYMCCQR-DTWKUNHWSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@H]1C[N@@H+]([C@H](C)C[NH3+])CCCO1 217507326 344402447 /nfs/dbraw/zinc/40/24/47/344402447.db2.gz ZWLGYXXRLSGVNX-BDAKNGLRSA-N 2 2 172.272 0.444 10 0 ACAELP C[NH2+][C@@H](C)C[N@@H+]1CCCO[C@@H](C)C1 217548759 344402881 /nfs/dbraw/zinc/40/28/81/344402881.db2.gz UMWGTPFBOQSRJD-UWVGGRQHSA-N 2 2 186.299 0.705 10 0 ACAELP C[NH2+][C@@H](C)C[N@H+]1CCCO[C@@H](C)C1 217548759 344402884 /nfs/dbraw/zinc/40/28/84/344402884.db2.gz UMWGTPFBOQSRJD-UWVGGRQHSA-N 2 2 186.299 0.705 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1C[C@@H](C)OC[C@@H]1C 217706112 344404858 /nfs/dbraw/zinc/40/48/58/344404858.db2.gz FXOJXQZMASCMTP-QCLAVDOMSA-N 2 2 186.299 0.831 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1C[C@@H](C)OC[C@@H]1C 217706112 344404859 /nfs/dbraw/zinc/40/48/59/344404859.db2.gz FXOJXQZMASCMTP-QCLAVDOMSA-N 2 2 186.299 0.831 10 0 ACAELP C[C@H]1CO[C@H](C)C[N@H+]1[C@H](C)[C@@H](C)[NH3+] 217706027 344405162 /nfs/dbraw/zinc/40/51/62/344405162.db2.gz FXOJXQZMASCMTP-SGIHWFKDSA-N 2 2 186.299 0.831 10 0 ACAELP C[C@H]1CO[C@H](C)C[N@@H+]1[C@H](C)[C@@H](C)[NH3+] 217706027 344405163 /nfs/dbraw/zinc/40/51/63/344405163.db2.gz FXOJXQZMASCMTP-SGIHWFKDSA-N 2 2 186.299 0.831 10 0 ACAELP C[NH2+]C[C@@H]1CC[C@H]1[N@@H+]1CCO[C@@H](C)C1 217699606 344405202 /nfs/dbraw/zinc/40/52/02/344405202.db2.gz CMLOZYNSNJUFJF-GARJFASQSA-N 2 2 198.310 0.705 10 0 ACAELP C[NH2+]C[C@@H]1CC[C@H]1[N@H+]1CCO[C@@H](C)C1 217699606 344405203 /nfs/dbraw/zinc/40/52/03/344405203.db2.gz CMLOZYNSNJUFJF-GARJFASQSA-N 2 2 198.310 0.705 10 0 ACAELP C[N@@H+]1CCO[C@@H]([C@@H]([NH3+])CC2CCC2)C1 217898652 344407863 /nfs/dbraw/zinc/40/78/63/344407863.db2.gz IVKOBIQZSSTXQF-WDEREUQCSA-N 2 2 198.310 0.835 10 0 ACAELP C[N@H+]1CCO[C@@H]([C@@H]([NH3+])CC2CCC2)C1 217898652 344407864 /nfs/dbraw/zinc/40/78/64/344407864.db2.gz IVKOBIQZSSTXQF-WDEREUQCSA-N 2 2 198.310 0.835 10 0 ACAELP C[N@@H+]1CCO[C@H]([C@@H]([NH3+])C2CC2)C1 217892152 344407959 /nfs/dbraw/zinc/40/79/59/344407959.db2.gz ZTKSYSQEHJAUPY-IUCAKERBSA-N 2 2 170.256 0.054 10 0 ACAELP C[N@H+]1CCO[C@H]([C@@H]([NH3+])C2CC2)C1 217892152 344407960 /nfs/dbraw/zinc/40/79/60/344407960.db2.gz ZTKSYSQEHJAUPY-IUCAKERBSA-N 2 2 170.256 0.054 10 0 ACAELP C[N@@H+]1CCO[C@@H]([C@@H]([NH3+])C2CCCC2)C1 217893261 344407968 /nfs/dbraw/zinc/40/79/68/344407968.db2.gz KJPFSKIWZUIUGI-MNOVXSKESA-N 2 2 198.310 0.835 10 0 ACAELP C[N@H+]1CCO[C@@H]([C@@H]([NH3+])C2CCCC2)C1 217893261 344407969 /nfs/dbraw/zinc/40/79/69/344407969.db2.gz KJPFSKIWZUIUGI-MNOVXSKESA-N 2 2 198.310 0.835 10 0 ACAELP C[N@@H+]1CCO[C@H]([C@@H]([NH3+])C2CCCC2)C1 217893321 344408061 /nfs/dbraw/zinc/40/80/61/344408061.db2.gz KJPFSKIWZUIUGI-QWRGUYRKSA-N 2 2 198.310 0.835 10 0 ACAELP C[N@H+]1CCO[C@H]([C@@H]([NH3+])C2CCCC2)C1 217893321 344408063 /nfs/dbraw/zinc/40/80/63/344408063.db2.gz KJPFSKIWZUIUGI-QWRGUYRKSA-N 2 2 198.310 0.835 10 0 ACAELP C[N@@H+]1CCO[C@H]([C@@H]([NH3+])CC2CCC2)C1 217898738 344408077 /nfs/dbraw/zinc/40/80/77/344408077.db2.gz IVKOBIQZSSTXQF-QWRGUYRKSA-N 2 2 198.310 0.835 10 0 ACAELP C[N@H+]1CCO[C@H]([C@@H]([NH3+])CC2CCC2)C1 217898738 344408079 /nfs/dbraw/zinc/40/80/79/344408079.db2.gz IVKOBIQZSSTXQF-QWRGUYRKSA-N 2 2 198.310 0.835 10 0 ACAELP CC(=O)C[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 218140800 344409584 /nfs/dbraw/zinc/40/95/84/344409584.db2.gz NIJYFRNNJLCMGL-WCBMZHEXSA-N 2 2 184.283 0.777 10 0 ACAELP CC(=O)C[C@H](C)[N@H+]1CCC[C@@H]([NH3+])C1 218140800 344409586 /nfs/dbraw/zinc/40/95/86/344409586.db2.gz NIJYFRNNJLCMGL-WCBMZHEXSA-N 2 2 184.283 0.777 10 0 ACAELP CC(=O)C[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 218140720 344409899 /nfs/dbraw/zinc/40/98/99/344409899.db2.gz NIJYFRNNJLCMGL-PSASIEDQSA-N 2 2 184.283 0.777 10 0 ACAELP CC(=O)C[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])C1 218140720 344409900 /nfs/dbraw/zinc/40/99/00/344409900.db2.gz NIJYFRNNJLCMGL-PSASIEDQSA-N 2 2 184.283 0.777 10 0 ACAELP COCC[N@@H+]1CC[C@](C)([NH3+])C1 218664424 344414713 /nfs/dbraw/zinc/41/47/13/344414713.db2.gz VKUSTWOHUKGDJJ-QMMMGPOBSA-N 2 2 158.245 0.056 10 0 ACAELP COCC[N@H+]1CC[C@](C)([NH3+])C1 218664424 344414714 /nfs/dbraw/zinc/41/47/14/344414714.db2.gz VKUSTWOHUKGDJJ-QMMMGPOBSA-N 2 2 158.245 0.056 10 0 ACAELP CC[N@@H+]1CCSC[C@H]1C[NH3+] 218679801 344414718 /nfs/dbraw/zinc/41/47/18/344414718.db2.gz QOVYGTRLUIJDFH-SSDOTTSWSA-N 2 2 160.286 0.382 10 0 ACAELP CC[N@H+]1CCSC[C@H]1C[NH3+] 218679801 344414720 /nfs/dbraw/zinc/41/47/20/344414720.db2.gz QOVYGTRLUIJDFH-SSDOTTSWSA-N 2 2 160.286 0.382 10 0 ACAELP COCC[N@@H+]1CC[C@@](C)([NH3+])C1 218664504 344414808 /nfs/dbraw/zinc/41/48/08/344414808.db2.gz VKUSTWOHUKGDJJ-MRVPVSSYSA-N 2 2 158.245 0.056 10 0 ACAELP COCC[N@H+]1CC[C@@](C)([NH3+])C1 218664504 344414811 /nfs/dbraw/zinc/41/48/11/344414811.db2.gz VKUSTWOHUKGDJJ-MRVPVSSYSA-N 2 2 158.245 0.056 10 0 ACAELP CC[N@@H+]1CCOC[C@H]1CC[NH3+] 218664342 344414819 /nfs/dbraw/zinc/41/48/19/344414819.db2.gz PBVBXAQNWNEUFR-MRVPVSSYSA-N 2 2 158.245 0.056 10 0 ACAELP CC[N@H+]1CCOC[C@H]1CC[NH3+] 218664342 344414822 /nfs/dbraw/zinc/41/48/22/344414822.db2.gz PBVBXAQNWNEUFR-MRVPVSSYSA-N 2 2 158.245 0.056 10 0 ACAELP CC[N@@H+]1CCSC[C@@H]1C[NH3+] 218679754 344414975 /nfs/dbraw/zinc/41/49/75/344414975.db2.gz QOVYGTRLUIJDFH-ZETCQYMHSA-N 2 2 160.286 0.382 10 0 ACAELP CC[N@H+]1CCSC[C@@H]1C[NH3+] 218679754 344414977 /nfs/dbraw/zinc/41/49/77/344414977.db2.gz QOVYGTRLUIJDFH-ZETCQYMHSA-N 2 2 160.286 0.382 10 0 ACAELP CC[N@@H+]1CCOC[C@@H]1CC[NH3+] 218664268 344414984 /nfs/dbraw/zinc/41/49/84/344414984.db2.gz PBVBXAQNWNEUFR-QMMMGPOBSA-N 2 2 158.245 0.056 10 0 ACAELP CC[N@H+]1CCOC[C@@H]1CC[NH3+] 218664268 344414987 /nfs/dbraw/zinc/41/49/87/344414987.db2.gz PBVBXAQNWNEUFR-QMMMGPOBSA-N 2 2 158.245 0.056 10 0 ACAELP CC(C)[N@H+]1CCSC[C@H]1C[NH3+] 218909318 344417939 /nfs/dbraw/zinc/41/79/39/344417939.db2.gz ZDXBZRXUJVKAGT-MRVPVSSYSA-N 2 2 174.313 0.771 10 0 ACAELP CCC[N@@H+]1CCSC[C@H]1C[NH3+] 218909134 344417819 /nfs/dbraw/zinc/41/78/19/344417819.db2.gz CQFPBVCAHVISTQ-MRVPVSSYSA-N 2 2 174.313 0.773 10 0 ACAELP CCC[N@H+]1CCSC[C@H]1C[NH3+] 218909134 344417822 /nfs/dbraw/zinc/41/78/22/344417822.db2.gz CQFPBVCAHVISTQ-MRVPVSSYSA-N 2 2 174.313 0.773 10 0 ACAELP CCc1c[nH]c(N2CC[NH+](C)CC2)[nH+]1 218881318 344417887 /nfs/dbraw/zinc/41/78/87/344417887.db2.gz GAIGYZZNHUTWLW-UHFFFAOYSA-N 2 2 194.282 0.724 10 0 ACAELP CC(C)[N@@H+]1CCSC[C@H]1C[NH3+] 218909318 344417938 /nfs/dbraw/zinc/41/79/38/344417938.db2.gz ZDXBZRXUJVKAGT-MRVPVSSYSA-N 2 2 174.313 0.771 10 0 ACAELP CCC[N@@H+]1CCSC[C@@H]1C[NH3+] 218909054 344418012 /nfs/dbraw/zinc/41/80/12/344418012.db2.gz CQFPBVCAHVISTQ-QMMMGPOBSA-N 2 2 174.313 0.773 10 0 ACAELP CCC[N@H+]1CCSC[C@@H]1C[NH3+] 218909054 344418015 /nfs/dbraw/zinc/41/80/15/344418015.db2.gz CQFPBVCAHVISTQ-QMMMGPOBSA-N 2 2 174.313 0.773 10 0 ACAELP CC(C)[N@@H+]1CCSC[C@@H]1C[NH3+] 218909227 344418049 /nfs/dbraw/zinc/41/80/49/344418049.db2.gz ZDXBZRXUJVKAGT-QMMMGPOBSA-N 2 2 174.313 0.771 10 0 ACAELP CC(C)[N@H+]1CCSC[C@@H]1C[NH3+] 218909227 344418051 /nfs/dbraw/zinc/41/80/51/344418051.db2.gz ZDXBZRXUJVKAGT-QMMMGPOBSA-N 2 2 174.313 0.771 10 0 ACAELP C[C@]1([NH3+])CC[N@H+](C[C@@H]2CCCO2)C1 219108467 344420020 /nfs/dbraw/zinc/42/00/20/344420020.db2.gz HRPPBYZBEVLSSB-UWVGGRQHSA-N 2 2 184.283 0.589 10 0 ACAELP C[C@]1([NH3+])CC[N@@H+](C[C@@H]2CCCO2)C1 219108467 344420022 /nfs/dbraw/zinc/42/00/22/344420022.db2.gz HRPPBYZBEVLSSB-UWVGGRQHSA-N 2 2 184.283 0.589 10 0 ACAELP C[C@@]1([NH3+])CC[N@H+](C[C@@H]2CCCO2)C1 219108545 344420098 /nfs/dbraw/zinc/42/00/98/344420098.db2.gz HRPPBYZBEVLSSB-VHSXEESVSA-N 2 2 184.283 0.589 10 0 ACAELP C[C@@]1([NH3+])CC[N@@H+](C[C@@H]2CCCO2)C1 219108545 344420099 /nfs/dbraw/zinc/42/00/99/344420099.db2.gz HRPPBYZBEVLSSB-VHSXEESVSA-N 2 2 184.283 0.589 10 0 ACAELP [NH3+]CC1([NH+]2CCCCCC2)COC1 219125882 344420123 /nfs/dbraw/zinc/42/01/23/344420123.db2.gz IWZSPSCGIWRKOT-UHFFFAOYSA-N 2 2 184.283 0.590 10 0 ACAELP CC(C)(O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]12 219281578 344422020 /nfs/dbraw/zinc/42/20/20/344422020.db2.gz FBFTYDDMIYDPBD-UWVGGRQHSA-N 2 2 198.310 0.584 10 0 ACAELP CC(C)(O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]12 219281578 344422021 /nfs/dbraw/zinc/42/20/21/344422021.db2.gz FBFTYDDMIYDPBD-UWVGGRQHSA-N 2 2 198.310 0.584 10 0 ACAELP CC(C)(O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]12 219281539 344422150 /nfs/dbraw/zinc/42/21/50/344422150.db2.gz FBFTYDDMIYDPBD-ZJUUUORDSA-N 2 2 198.310 0.584 10 0 ACAELP CC(C)(O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]12 219281539 344422152 /nfs/dbraw/zinc/42/21/52/344422152.db2.gz FBFTYDDMIYDPBD-ZJUUUORDSA-N 2 2 198.310 0.584 10 0 ACAELP C[N@@H+]1CC[NH2+]C[C@H](C(F)(F)F)C1 219609635 344426310 /nfs/dbraw/zinc/42/63/10/344426310.db2.gz RMIXSMWYIIMTMY-LURJTMIESA-N 2 2 182.189 0.700 10 0 ACAELP C[N@H+]1CC[NH2+]C[C@H](C(F)(F)F)C1 219609635 344426313 /nfs/dbraw/zinc/42/63/13/344426313.db2.gz RMIXSMWYIIMTMY-LURJTMIESA-N 2 2 182.189 0.700 10 0 ACAELP C[N@@H+]1CC[NH2+]C[C@@H](C(F)(F)F)C1 219609701 344426388 /nfs/dbraw/zinc/42/63/88/344426388.db2.gz RMIXSMWYIIMTMY-ZCFIWIBFSA-N 2 2 182.189 0.700 10 0 ACAELP C[N@H+]1CC[NH2+]C[C@@H](C(F)(F)F)C1 219609701 344426389 /nfs/dbraw/zinc/42/63/89/344426389.db2.gz RMIXSMWYIIMTMY-ZCFIWIBFSA-N 2 2 182.189 0.700 10 0 ACAELP C[C@@H]1C[N@H+]([C@H]2CC[NH2+]C2)C[C@@H]1C 219684112 344427059 /nfs/dbraw/zinc/42/70/59/344427059.db2.gz JJSVBKSYPRQTLY-AEJSXWLSSA-N 2 2 168.284 0.936 10 0 ACAELP C[C@@H]1C[N@@H+]([C@H]2CC[NH2+]C2)C[C@@H]1C 219684112 344427060 /nfs/dbraw/zinc/42/70/60/344427060.db2.gz JJSVBKSYPRQTLY-AEJSXWLSSA-N 2 2 168.284 0.936 10 0 ACAELP C[NH+](C)[C@@H](C[NH3+])Cc1ccc(O)cc1 219840805 344428423 /nfs/dbraw/zinc/42/84/23/344428423.db2.gz BZQUFQJEVJFGHS-SNVBAGLBSA-N 2 2 194.278 0.824 10 0 ACAELP C[C@H]1COCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 219855699 344428748 /nfs/dbraw/zinc/42/87/48/344428748.db2.gz NSHKTTHPEZMOMF-QWRGUYRKSA-N 2 2 198.310 0.707 10 0 ACAELP C[C@H]1COCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 219855699 344428750 /nfs/dbraw/zinc/42/87/50/344428750.db2.gz NSHKTTHPEZMOMF-QWRGUYRKSA-N 2 2 198.310 0.707 10 0 ACAELP C[C@@H]1COCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 219855646 344429012 /nfs/dbraw/zinc/42/90/12/344429012.db2.gz NSHKTTHPEZMOMF-MNOVXSKESA-N 2 2 198.310 0.707 10 0 ACAELP C[C@@H]1COCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 219855646 344429013 /nfs/dbraw/zinc/42/90/13/344429013.db2.gz NSHKTTHPEZMOMF-MNOVXSKESA-N 2 2 198.310 0.707 10 0 ACAELP CO[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]2)C1 220365065 344432193 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226414869 344502184 /nfs/dbraw/zinc/50/21/84/344502184.db2.gz RHKHVGYPAKDFIH-IVZWLZJFSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1OCC[C@H]1[N@H+]1CCC[C@@H]([NH3+])C1 226414869 344502185 /nfs/dbraw/zinc/50/21/85/344502185.db2.gz RHKHVGYPAKDFIH-IVZWLZJFSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1OCC[C@H]1[N@@H+]1CC[C@@H]([NH3+])C1 226416374 344502223 /nfs/dbraw/zinc/50/22/23/344502223.db2.gz NLEWVJGRBLYVAX-DJLDLDEBSA-N 2 2 170.256 0.197 10 0 ACAELP C[C@@H]1OCC[C@H]1[N@H+]1CC[C@@H]([NH3+])C1 226416374 344502225 /nfs/dbraw/zinc/50/22/25/344502225.db2.gz NLEWVJGRBLYVAX-DJLDLDEBSA-N 2 2 170.256 0.197 10 0 ACAELP C[C@@H]1OCC[C@@H]1[N@@H+]1CC[C@@H]([NH3+])C1 226416367 344502246 /nfs/dbraw/zinc/50/22/46/344502246.db2.gz NLEWVJGRBLYVAX-YIZRAAEISA-N 2 2 170.256 0.197 10 0 ACAELP C[C@@H]1OCC[C@@H]1[N@H+]1CC[C@@H]([NH3+])C1 226416367 344502247 /nfs/dbraw/zinc/50/22/47/344502247.db2.gz NLEWVJGRBLYVAX-YIZRAAEISA-N 2 2 170.256 0.197 10 0 ACAELP C[C@@H]1OCC[C@@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 226414855 344502340 /nfs/dbraw/zinc/50/23/40/344502340.db2.gz RHKHVGYPAKDFIH-AEJSXWLSSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1OCC[C@@H]1[N@H+]1CCC[C@@H]([NH3+])C1 226414855 344502342 /nfs/dbraw/zinc/50/23/42/344502342.db2.gz RHKHVGYPAKDFIH-AEJSXWLSSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@H]1OCC[C@@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 226414862 344502375 /nfs/dbraw/zinc/50/23/75/344502375.db2.gz RHKHVGYPAKDFIH-BBBLOLIVSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@H]1OCC[C@@H]1[N@H+]1CCC[C@@H]([NH3+])C1 226414862 344502377 /nfs/dbraw/zinc/50/23/77/344502377.db2.gz RHKHVGYPAKDFIH-BBBLOLIVSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@H]1OCC[C@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 226414874 344502403 /nfs/dbraw/zinc/50/24/03/344502403.db2.gz RHKHVGYPAKDFIH-OPRDCNLKSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@H]1OCC[C@H]1[N@H+]1CCC[C@@H]([NH3+])C1 226414874 344502405 /nfs/dbraw/zinc/50/24/05/344502405.db2.gz RHKHVGYPAKDFIH-OPRDCNLKSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)C[NH+](CC[NH3+])CC(C)(C)O1 226413289 344502423 /nfs/dbraw/zinc/50/24/23/344502423.db2.gz HWEVAFZZGCNQRL-UHFFFAOYSA-N 2 2 186.299 0.835 10 0 ACAELP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCO[C@@H]2C)C1 226410495 344502427 /nfs/dbraw/zinc/50/24/27/344502427.db2.gz UTYKVNPDCGXWDU-OPRDCNLKSA-N 2 2 184.283 0.458 10 0 ACAELP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CCO[C@@H]2C)C1 226410495 344502428 /nfs/dbraw/zinc/50/24/28/344502428.db2.gz UTYKVNPDCGXWDU-OPRDCNLKSA-N 2 2 184.283 0.458 10 0 ACAELP C[C@H]1OCC[C@H]1[N@@H+]1CC[C@@H]([NH3+])C1 226416379 344502445 /nfs/dbraw/zinc/50/24/45/344502445.db2.gz NLEWVJGRBLYVAX-IWSPIJDZSA-N 2 2 170.256 0.197 10 0 ACAELP C[C@H]1OCC[C@@H]1[N@@H+]1CC[C@@H]([NH3+])C1 226416369 344502450 /nfs/dbraw/zinc/50/24/50/344502450.db2.gz NLEWVJGRBLYVAX-HLTSFMKQSA-N 2 2 170.256 0.197 10 0 ACAELP C[C@H]1OCC[C@@H]1[N@H+]1CC[C@@H]([NH3+])C1 226416369 344502452 /nfs/dbraw/zinc/50/24/52/344502452.db2.gz NLEWVJGRBLYVAX-HLTSFMKQSA-N 2 2 170.256 0.197 10 0 ACAELP C[N@@H+]1CCN(CC2CCC2)[C@@H](C[NH3+])C1 226609964 344508158 /nfs/dbraw/zinc/50/81/58/344508158.db2.gz UVDOYSRRVHHZQK-NSHDSACASA-N 2 2 197.326 0.361 10 0 ACAELP C[N@H+]1CCN(CC2CCC2)[C@@H](C[NH3+])C1 226609964 344508160 /nfs/dbraw/zinc/50/81/60/344508160.db2.gz UVDOYSRRVHHZQK-NSHDSACASA-N 2 2 197.326 0.361 10 0 ACAELP CN1CC[N@H+](CC2CCC2)[C@@H](C[NH3+])C1 226609964 344508163 /nfs/dbraw/zinc/50/81/63/344508163.db2.gz UVDOYSRRVHHZQK-NSHDSACASA-N 2 2 197.326 0.361 10 0 ACAELP CN1CC[N@@H+](CC2CCC2)[C@@H](C[NH3+])C1 226609964 344508165 /nfs/dbraw/zinc/50/81/65/344508165.db2.gz UVDOYSRRVHHZQK-NSHDSACASA-N 2 2 197.326 0.361 10 0 ACAELP C[N@H+]1CCN(C2CCC2)[C@@H](C[NH3+])C1 226614593 344508798 /nfs/dbraw/zinc/50/87/98/344508798.db2.gz CKSSKNKYZOROAJ-JTQLQIEISA-N 2 2 183.299 0.114 10 0 ACAELP C[N@H+]([C@H]1CCOC1)[C@@H]1CCCC[NH2+]C1 226635594 344509344 /nfs/dbraw/zinc/50/93/44/344509344.db2.gz UVCBVIRPCNDVHR-MNOVXSKESA-N 2 2 198.310 0.849 10 0 ACAELP C[N@@H+]([C@H]1CCOC1)[C@@H]1CCCC[NH2+]C1 226635594 344509346 /nfs/dbraw/zinc/50/93/46/344509346.db2.gz UVCBVIRPCNDVHR-MNOVXSKESA-N 2 2 198.310 0.849 10 0 ACAELP C[C@@H]1CCO[C@@H]1[C@@H]([NH3+])Cc1[nH]cc[nH+]1 226702248 344510451 /nfs/dbraw/zinc/51/04/51/344510451.db2.gz QXHUQYQCPUQOQD-WEDXCCLWSA-N 2 2 195.266 0.705 10 0 ACAELP CC(=[NH2+])NCC[NH+]1CCSCC1 226757644 344512844 /nfs/dbraw/zinc/51/28/44/344512844.db2.gz HUQZSMDZUPRJEJ-UHFFFAOYSA-N 2 2 187.312 0.622 10 0 ACAELP CC[N@H+](C)C[C@@H]1[NH2+]CC[C@@H]1C 226855802 344515810 /nfs/dbraw/zinc/51/58/10/344515810.db2.gz OVBAARXOVLDKQC-IUCAKERBSA-N 2 2 156.273 0.936 10 0 ACAELP CC[N@@H+](C)C[C@@H]1[NH2+]CC[C@@H]1C 226855802 344515814 /nfs/dbraw/zinc/51/58/14/344515814.db2.gz OVBAARXOVLDKQC-IUCAKERBSA-N 2 2 156.273 0.936 10 0 ACAELP CC[N@H+](C)C[C@H]1[NH2+]CC[C@@H]1C 226855809 344515877 /nfs/dbraw/zinc/51/58/77/344515877.db2.gz OVBAARXOVLDKQC-DTWKUNHWSA-N 2 2 156.273 0.936 10 0 ACAELP CC[N@@H+](C)C[C@H]1[NH2+]CC[C@@H]1C 226855809 344515879 /nfs/dbraw/zinc/51/58/79/344515879.db2.gz OVBAARXOVLDKQC-DTWKUNHWSA-N 2 2 156.273 0.936 10 0 ACAELP C[C@H]1CO[C@H](C)C[N@@H+]1C1CC([NH3+])C1 226874837 344516303 /nfs/dbraw/zinc/51/63/03/344516303.db2.gz DTRJUYQWJHFTAK-AFWXGSBKSA-N 2 2 184.283 0.585 10 0 ACAELP C[C@H]1CO[C@H](C)C[N@H+]1C1CC([NH3+])C1 226874837 344516304 /nfs/dbraw/zinc/51/63/04/344516304.db2.gz DTRJUYQWJHFTAK-AFWXGSBKSA-N 2 2 184.283 0.585 10 0 ACAELP C[C@H]1C[N@H+](C2CC([NH3+])C2)[C@@H](C)CO1 226874844 344516319 /nfs/dbraw/zinc/51/63/19/344516319.db2.gz DTRJUYQWJHFTAK-DKEVHCRPSA-N 2 2 184.283 0.585 10 0 ACAELP C[C@H]1C[N@@H+](C2CC([NH3+])C2)[C@@H](C)CO1 226874844 344516321 /nfs/dbraw/zinc/51/63/21/344516321.db2.gz DTRJUYQWJHFTAK-DKEVHCRPSA-N 2 2 184.283 0.585 10 0 ACAELP CC[C@@H]1C[NH2+]C[C@H]1[N@@H+]1CC[C@@H](O)C1 226935173 344517402 /nfs/dbraw/zinc/51/74/02/344517402.db2.gz WGTMEPLIOWQRRV-OPRDCNLKSA-N 2 2 184.283 0.051 10 0 ACAELP CC[C@@H]1C[NH2+]C[C@H]1[N@H+]1CC[C@@H](O)C1 226935173 344517403 /nfs/dbraw/zinc/51/74/03/344517403.db2.gz WGTMEPLIOWQRRV-OPRDCNLKSA-N 2 2 184.283 0.051 10 0 ACAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1CC[C@@H](O)C1 226935166 344517562 /nfs/dbraw/zinc/51/75/62/344517562.db2.gz WGTMEPLIOWQRRV-BBBLOLIVSA-N 2 2 184.283 0.051 10 0 ACAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@H+]1CC[C@@H](O)C1 226935166 344517564 /nfs/dbraw/zinc/51/75/64/344517564.db2.gz WGTMEPLIOWQRRV-BBBLOLIVSA-N 2 2 184.283 0.051 10 0 ACAELP C[C@@H]1CC[N@H+](CCF)[C@@H]1C[NH3+] 227117556 344523274 /nfs/dbraw/zinc/52/32/74/344523274.db2.gz PQNLWKPQAJHQSV-HTQZYQBOSA-N 2 2 160.236 0.625 10 0 ACAELP C[C@@H]1CC[N@@H+](CCF)[C@@H]1C[NH3+] 227117556 344523277 /nfs/dbraw/zinc/52/32/77/344523277.db2.gz PQNLWKPQAJHQSV-HTQZYQBOSA-N 2 2 160.236 0.625 10 0 ACAELP C[C@H]1CC[N@H+](CCF)[C@@H]1C[NH3+] 227117565 344523684 /nfs/dbraw/zinc/52/36/84/344523684.db2.gz PQNLWKPQAJHQSV-JGVFFNPUSA-N 2 2 160.236 0.625 10 0 ACAELP C[C@H]1CC[N@@H+](CCF)[C@@H]1C[NH3+] 227117565 344523687 /nfs/dbraw/zinc/52/36/87/344523687.db2.gz PQNLWKPQAJHQSV-JGVFFNPUSA-N 2 2 160.236 0.625 10 0 ACAELP CC[C@H](C[NH3+])[N@@H+]1CCO[C@@H]2CCC[C@H]21 227147662 344524077 /nfs/dbraw/zinc/52/40/77/344524077.db2.gz YETBSXABJYPRFI-GMTAPVOTSA-N 2 2 198.310 0.977 10 0 ACAELP CC[C@H](C[NH3+])[N@H+]1CCO[C@@H]2CCC[C@H]21 227147662 344524078 /nfs/dbraw/zinc/52/40/78/344524078.db2.gz YETBSXABJYPRFI-GMTAPVOTSA-N 2 2 198.310 0.977 10 0 ACAELP C[C@H](C[NH3+])[N@@H+]1CCO[C@@H]2CCC[C@H]21 227147733 344524189 /nfs/dbraw/zinc/52/41/89/344524189.db2.gz KJPOTAVZLXKIIM-OPRDCNLKSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@H](C[NH3+])[N@H+]1CCO[C@@H]2CCC[C@H]21 227147733 344524191 /nfs/dbraw/zinc/52/41/91/344524191.db2.gz KJPOTAVZLXKIIM-OPRDCNLKSA-N 2 2 184.283 0.587 10 0 ACAELP [NH3+][C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1[NH+]1CC=CC1 227473016 344530836 /nfs/dbraw/zinc/53/08/36/344530836.db2.gz SDUURHUGWYUJNR-ZDCRXTMVSA-N 2 2 194.278 0.363 10 0 ACAELP C[NH2+][C@@H]1CCC[N@@H+]([C@@H](C)[C@@H](C)O)C1 227484721 344531538 /nfs/dbraw/zinc/53/15/38/344531538.db2.gz FMTWIHZHTRTGAN-IVZWLZJFSA-N 2 2 186.299 0.440 10 0 ACAELP C[NH2+][C@@H]1CCC[N@H+]([C@@H](C)[C@@H](C)O)C1 227484721 344531541 /nfs/dbraw/zinc/53/15/41/344531541.db2.gz FMTWIHZHTRTGAN-IVZWLZJFSA-N 2 2 186.299 0.440 10 0 ACAELP C[C@@]1(C[N@H+]2CC[C@@H]([NH3+])C2)CCCO1 227487366 344531952 /nfs/dbraw/zinc/53/19/52/344531952.db2.gz RSGCVQPNDHVJGJ-ZJUUUORDSA-N 2 2 184.283 0.589 10 0 ACAELP C[C@@]1(C[N@@H+]2CC[C@@H]([NH3+])C2)CCCO1 227487366 344531950 /nfs/dbraw/zinc/53/19/50/344531950.db2.gz RSGCVQPNDHVJGJ-ZJUUUORDSA-N 2 2 184.283 0.589 10 0 ACAELP C[NH2+][C@@H]1CC[N@H+](C[C@@]2(C)CCCO2)C1 227487574 344532082 /nfs/dbraw/zinc/53/20/82/344532082.db2.gz TZDRTASLIFWIMY-GHMZBOCLSA-N 2 2 198.310 0.849 10 0 ACAELP C[NH2+][C@@H]1CC[N@@H+](C[C@@]2(C)CCCO2)C1 227487574 344532085 /nfs/dbraw/zinc/53/20/85/344532085.db2.gz TZDRTASLIFWIMY-GHMZBOCLSA-N 2 2 198.310 0.849 10 0 ACAELP C[NH+](C)[C@@H]1[C@H]([NH3+])[C@@H]2CCCO[C@H]21 227561496 344534921 /nfs/dbraw/zinc/53/49/21/344534921.db2.gz BTAKXSBVIHCYAG-JQCXWYLXSA-N 2 2 170.256 0.053 10 0 ACAELP NNc1cc(-n2cc[nH+]c2)cc[nH+]1 227683353 344544444 /nfs/dbraw/zinc/54/44/44/344544444.db2.gz CMVORWFVRKNJSV-UHFFFAOYSA-N 2 2 175.195 0.553 10 0 ACAELP Nc1cc(NCc2c[nH+]c[nH]2)cc[nH+]1 227685868 344545045 /nfs/dbraw/zinc/54/50/45/344545045.db2.gz FJIZSRBICNYNGK-UHFFFAOYSA-N 2 2 189.222 0.999 10 0 ACAELP Nc1cc(NCc2c[nH]c[nH+]2)cc[nH+]1 227685868 344545047 /nfs/dbraw/zinc/54/50/47/344545047.db2.gz FJIZSRBICNYNGK-UHFFFAOYSA-N 2 2 189.222 0.999 10 0 ACAELP Nc1cc(NCc2[nH]cc[nH+]2)cc[nH+]1 227685853 344545071 /nfs/dbraw/zinc/54/50/71/344545071.db2.gz PUBUMUHIPBGYQP-UHFFFAOYSA-N 2 2 189.222 0.999 10 0 ACAELP c1ccc(NC[C@H]2C[NH2+]CCO2)[nH+]c1 227786453 344547616 /nfs/dbraw/zinc/54/76/16/344547616.db2.gz ZTJRBFJDILZRFA-SECBINFHSA-N 2 2 193.250 0.482 10 0 ACAELP c1ccc(NC[C@@H]2C[NH2+]CCO2)[nH+]c1 227786449 344547860 /nfs/dbraw/zinc/54/78/60/344547860.db2.gz ZTJRBFJDILZRFA-VIFPVBQESA-N 2 2 193.250 0.482 10 0 ACAELP C[C@H]1C[NH2+]C[C@@H]([N@@H+]2CCCOCC2)C1 227940237 344551711 /nfs/dbraw/zinc/55/17/11/344551711.db2.gz CQDGHGWMIJABIY-MNOVXSKESA-N 2 2 198.310 0.707 10 0 ACAELP C[C@H]1C[NH2+]C[C@@H]([N@H+]2CCCOCC2)C1 227940237 344551715 /nfs/dbraw/zinc/55/17/15/344551715.db2.gz CQDGHGWMIJABIY-MNOVXSKESA-N 2 2 198.310 0.707 10 0 ACAELP C[C@@H]1C[NH2+]C[C@H]([N@@H+]2CCCOCC2)C1 227940242 344551734 /nfs/dbraw/zinc/55/17/34/344551734.db2.gz CQDGHGWMIJABIY-WDEREUQCSA-N 2 2 198.310 0.707 10 0 ACAELP C[C@H]1C[NH2+]C[C@H]([N@@H+]2CCCOCC2)C1 227940249 344551760 /nfs/dbraw/zinc/55/17/60/344551760.db2.gz CQDGHGWMIJABIY-GHMZBOCLSA-N 2 2 198.310 0.707 10 0 ACAELP C[C@H]1C[NH2+]C[C@H]([N@H+]2CCCOCC2)C1 227940249 344551763 /nfs/dbraw/zinc/55/17/63/344551763.db2.gz CQDGHGWMIJABIY-GHMZBOCLSA-N 2 2 198.310 0.707 10 0 ACAELP C[C@@H]1C[NH2+]C[C@@H]([N@@H+]2CCCOCC2)C1 227940230 344552018 /nfs/dbraw/zinc/55/20/18/344552018.db2.gz CQDGHGWMIJABIY-QWRGUYRKSA-N 2 2 198.310 0.707 10 0 ACAELP C[C@@H]1C[NH2+]C[C@@H]([N@H+]2CCCOCC2)C1 227940230 344552020 /nfs/dbraw/zinc/55/20/20/344552020.db2.gz CQDGHGWMIJABIY-QWRGUYRKSA-N 2 2 198.310 0.707 10 0 ACAELP Cc1c[nH+]cc(N2CC[C@@H]([NH3+])C2)c1 227965057 344552928 /nfs/dbraw/zinc/55/29/28/344552928.db2.gz JONLNHJOURTBPE-SECBINFHSA-N 2 2 177.251 0.927 10 0 ACAELP Cc1c[nH+]cc(N2CC[C@H]([NH3+])C2)c1 227965069 344552958 /nfs/dbraw/zinc/55/29/58/344552958.db2.gz JONLNHJOURTBPE-VIFPVBQESA-N 2 2 177.251 0.927 10 0 ACAELP CC(C)N[C@@]1(C[NH3+])CC[N@@H+]2CCC[C@H]21 228009852 344554448 /nfs/dbraw/zinc/55/44/48/344554448.db2.gz GSXZDQQNEOJXEB-WDEREUQCSA-N 2 2 197.326 0.550 10 0 ACAELP CC(C)N[C@@]1(C[NH3+])CC[N@H+]2CCC[C@H]21 228009852 344554450 /nfs/dbraw/zinc/55/44/50/344554450.db2.gz GSXZDQQNEOJXEB-WDEREUQCSA-N 2 2 197.326 0.550 10 0 ACAELP CC(C)N[C@]1(C[NH3+])CC[N@@H+]2CCC[C@H]21 228009865 344554688 /nfs/dbraw/zinc/55/46/88/344554688.db2.gz GSXZDQQNEOJXEB-QWRGUYRKSA-N 2 2 197.326 0.550 10 0 ACAELP CC(C)N[C@]1(C[NH3+])CC[N@H+]2CCC[C@H]21 228009865 344554691 /nfs/dbraw/zinc/55/46/91/344554691.db2.gz GSXZDQQNEOJXEB-QWRGUYRKSA-N 2 2 197.326 0.550 10 0 ACAELP NC(=[NH2+])C[NH+]1C[C@H]2CCC[C@@H]2C1 228013331 344555291 /nfs/dbraw/zinc/55/52/91/344555291.db2.gz REYQQIQUPILBPU-HTQZYQBOSA-N 2 2 167.256 0.654 10 0 ACAELP CC(C)[NH2+][C@]1(CO)CC[N@@H+]2CCC[C@H]21 228031636 344556125 /nfs/dbraw/zinc/55/61/25/344556125.db2.gz FRXISLSWGRTHLG-QWRGUYRKSA-N 2 2 198.310 0.584 10 0 ACAELP CC(C)[NH2+][C@]1(CO)CC[N@H+]2CCC[C@H]21 228031636 344556126 /nfs/dbraw/zinc/55/61/26/344556126.db2.gz FRXISLSWGRTHLG-QWRGUYRKSA-N 2 2 198.310 0.584 10 0 ACAELP CC(C)[NH2+][C@@]1(CO)CC[N@@H+]2CCC[C@H]21 228031625 344556158 /nfs/dbraw/zinc/55/61/58/344556158.db2.gz FRXISLSWGRTHLG-WDEREUQCSA-N 2 2 198.310 0.584 10 0 ACAELP CC(C)[NH2+][C@@]1(CO)CC[N@H+]2CCC[C@H]21 228031625 344556160 /nfs/dbraw/zinc/55/61/60/344556160.db2.gz FRXISLSWGRTHLG-WDEREUQCSA-N 2 2 198.310 0.584 10 0 ACAELP COC(=[NH2+])C[C@H]1C[N@H+](C)CCN1C 228107187 344557709 /nfs/dbraw/zinc/55/77/09/344557709.db2.gz RCNRFDXVPKYBRL-QMMMGPOBSA-N 2 2 185.271 0.246 10 0 ACAELP COC(=[NH2+])C[C@H]1C[N@@H+](C)CCN1C 228107187 344557711 /nfs/dbraw/zinc/55/77/11/344557711.db2.gz RCNRFDXVPKYBRL-QMMMGPOBSA-N 2 2 185.271 0.246 10 0 ACAELP C[C@@H]1[NH2+][C@@H](C)N(C[C@H](C)[NH+](C)C)C1=O 228376079 344562020 /nfs/dbraw/zinc/56/20/20/344562020.db2.gz YFHIXSDGXUMEMV-XHNCKOQMSA-N 2 2 199.298 0.103 10 0 ACAELP C[C@@H]1[NH2+][C@@H](C)N([C@H](C)C[NH+](C)C)C1=O 228501317 344563067 /nfs/dbraw/zinc/56/30/67/344563067.db2.gz FANFRERJYSYPIY-HRDYMLBCSA-N 2 2 199.298 0.103 10 0 ACAELP CO[C@H](C)C[N@@H+]1CCC[C@@H]([NH3+])C1 228563563 344563563 /nfs/dbraw/zinc/56/35/63/344563563.db2.gz RUJWOROSZRQSLM-RKDXNWHRSA-N 2 2 172.272 0.444 10 0 ACAELP CO[C@H](C)C[N@H+]1CCC[C@@H]([NH3+])C1 228563563 344563565 /nfs/dbraw/zinc/56/35/65/344563565.db2.gz RUJWOROSZRQSLM-RKDXNWHRSA-N 2 2 172.272 0.444 10 0 ACAELP CO[C@@H](C)C[N@@H+]1CCC[C@@H]([NH3+])C1 228563558 344563737 /nfs/dbraw/zinc/56/37/37/344563737.db2.gz RUJWOROSZRQSLM-DTWKUNHWSA-N 2 2 172.272 0.444 10 0 ACAELP C[C@H]1CO[C@H](C)C[N@@H+]1CC1C[NH2+]C1 228593642 344564468 /nfs/dbraw/zinc/56/44/68/344564468.db2.gz AHEKZGATSYXYTI-DTWKUNHWSA-N 2 2 184.283 0.315 10 0 ACAELP C[C@H]1CO[C@H](C)C[N@H+]1CC1C[NH2+]C1 228593642 344564469 /nfs/dbraw/zinc/56/44/69/344564469.db2.gz AHEKZGATSYXYTI-DTWKUNHWSA-N 2 2 184.283 0.315 10 0 ACAELP C[C@H]1C[N@H+](CC2C[NH2+]C2)[C@@H](C)CO1 228593646 344564472 /nfs/dbraw/zinc/56/44/72/344564472.db2.gz AHEKZGATSYXYTI-IUCAKERBSA-N 2 2 184.283 0.315 10 0 ACAELP C[C@H]1C[N@@H+](CC2C[NH2+]C2)[C@@H](C)CO1 228593646 344564475 /nfs/dbraw/zinc/56/44/75/344564475.db2.gz AHEKZGATSYXYTI-IUCAKERBSA-N 2 2 184.283 0.315 10 0 ACAELP Cc1cncc(C[NH+]2CC(C[NH3+])C2)c1 228644882 344565285 /nfs/dbraw/zinc/56/52/85/344565285.db2.gz PPXBLQLKNSWUFJ-UHFFFAOYSA-N 2 2 191.278 0.781 10 0 ACAELP O[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]2)C1 228785362 344568602 /nfs/dbraw/zinc/56/86/02/344568602.db2.gz CXSSCLIJWMJEKC-VHSXEESVSA-N 2 2 184.283 0.195 10 0 ACAELP O[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]2)C1 228785362 344568601 /nfs/dbraw/zinc/56/86/01/344568601.db2.gz CXSSCLIJWMJEKC-VHSXEESVSA-N 2 2 184.283 0.195 10 0 ACAELP C[N@H+]([C@H]1CC[NH2+]C1)C(C)(C)CO 228852228 344571035 /nfs/dbraw/zinc/57/10/35/344571035.db2.gz CLFPPGDXPUAZLR-QMMMGPOBSA-N 2 2 172.272 0.051 10 0 ACAELP C[N@@H+]([C@H]1CC[NH2+]C1)C(C)(C)CO 228852228 344571036 /nfs/dbraw/zinc/57/10/36/344571036.db2.gz CLFPPGDXPUAZLR-QMMMGPOBSA-N 2 2 172.272 0.051 10 0 ACAELP C[N@H+]([C@@H]1CC[NH2+]C1)C(C)(C)CO 228852219 344571115 /nfs/dbraw/zinc/57/11/15/344571115.db2.gz CLFPPGDXPUAZLR-MRVPVSSYSA-N 2 2 172.272 0.051 10 0 ACAELP C[N@@H+]([C@@H]1CC[NH2+]C1)C(C)(C)CO 228852219 344571119 /nfs/dbraw/zinc/57/11/19/344571119.db2.gz CLFPPGDXPUAZLR-MRVPVSSYSA-N 2 2 172.272 0.051 10 0 ACAELP C[NH2+][C@@H]1CC[N@@H+](C2(C)CC2)C1 228867195 344571483 /nfs/dbraw/zinc/57/14/83/344571483.db2.gz CKKTXTVTXNERSG-MRVPVSSYSA-N 2 2 154.257 0.833 10 0 ACAELP C[NH2+][C@@H]1CC[N@H+](C2(C)CC2)C1 228867195 344571486 /nfs/dbraw/zinc/57/14/86/344571486.db2.gz CKKTXTVTXNERSG-MRVPVSSYSA-N 2 2 154.257 0.833 10 0 ACAELP C[NH2+][C@H]1CC[N@@H+](C2(C)CC2)C1 228867206 344571545 /nfs/dbraw/zinc/57/15/45/344571545.db2.gz CKKTXTVTXNERSG-QMMMGPOBSA-N 2 2 154.257 0.833 10 0 ACAELP C[NH2+][C@H]1CC[N@H+](C2(C)CC2)C1 228867206 344571547 /nfs/dbraw/zinc/57/15/47/344571547.db2.gz CKKTXTVTXNERSG-QMMMGPOBSA-N 2 2 154.257 0.833 10 0 ACAELP CC1([NH2+]C[C@@H]2C[NH2+]CCO2)CCC1 228878500 344572873 /nfs/dbraw/zinc/57/28/73/344572873.db2.gz XWXKVYPPMORTCO-VIFPVBQESA-N 2 2 184.283 0.507 10 0 ACAELP CC1([NH2+]C[C@H]2C[NH2+]CCO2)CCC1 228878509 344572973 /nfs/dbraw/zinc/57/29/73/344572973.db2.gz XWXKVYPPMORTCO-SECBINFHSA-N 2 2 184.283 0.507 10 0 ACAELP CC1([NH2+]C[C@H]2CSCC[NH2+]2)CC1 228872127 344572978 /nfs/dbraw/zinc/57/29/78/344572978.db2.gz IRGATZBQZBFFJV-QMMMGPOBSA-N 2 2 186.324 0.834 10 0 ACAELP CN1CC[N@H+](C)C[C@H]1[C@@H]([NH3+])C1CCC1 228953701 344577603 /nfs/dbraw/zinc/57/76/03/344577603.db2.gz AJVZIZBWZJBSDV-QWRGUYRKSA-N 2 2 197.326 0.360 10 0 ACAELP CN1CC[N@@H+](C)C[C@H]1[C@@H]([NH3+])C1CCC1 228953701 344577604 /nfs/dbraw/zinc/57/76/04/344577604.db2.gz AJVZIZBWZJBSDV-QWRGUYRKSA-N 2 2 197.326 0.360 10 0 ACAELP C[C@@H]1CC[N@@H+]1[C@@]1(C)CC[NH2+]C1 230753582 344642532 /nfs/dbraw/zinc/64/25/32/344642532.db2.gz JCPVLWMJFIZCRS-BDAKNGLRSA-N 2 2 154.257 0.833 10 0 ACAELP C[NH+](C)C[C@@H]1[NH2+]C[C@@H]2CCC[C@H]21 229155951 344584799 /nfs/dbraw/zinc/58/47/99/344584799.db2.gz HGWRTAQWIWEZSR-AEJSXWLSSA-N 2 2 168.284 0.936 10 0 ACAELP C[C@H]1CCC[NH2+][C@@H]1C[NH+](C)C 229300064 344590047 /nfs/dbraw/zinc/59/00/47/344590047.db2.gz OKRSFFXJBZXPPG-DTWKUNHWSA-N 2 2 156.273 0.936 10 0 ACAELP C[C@@H]1CC[NH2+][C@H]1C[NH+](C)C 229300244 344590064 /nfs/dbraw/zinc/59/00/64/344590064.db2.gz PZURPGHRRQQGRJ-SFYZADRCSA-N 2 2 142.246 0.546 10 0 ACAELP C[C@H]1CC[NH2+][C@@H]1C[NH+](C)C 229300232 344590088 /nfs/dbraw/zinc/59/00/88/344590088.db2.gz PZURPGHRRQQGRJ-JGVFFNPUSA-N 2 2 142.246 0.546 10 0 ACAELP C[C@H]1CCC[NH2+][C@H]1C[NH+](C)C 229300081 344590135 /nfs/dbraw/zinc/59/01/35/344590135.db2.gz OKRSFFXJBZXPPG-IUCAKERBSA-N 2 2 156.273 0.936 10 0 ACAELP C[C@H]1CC[NH2+][C@H]1C[NH+](C)C 229300253 344590143 /nfs/dbraw/zinc/59/01/43/344590143.db2.gz PZURPGHRRQQGRJ-YUMQZZPRSA-N 2 2 142.246 0.546 10 0 ACAELP C[C@@H]1CCC[NH2+][C@@H]1C[NH+](C)C 229300058 344590178 /nfs/dbraw/zinc/59/01/78/344590178.db2.gz OKRSFFXJBZXPPG-RKDXNWHRSA-N 2 2 156.273 0.936 10 0 ACAELP C[C@@H]1CCC[NH2+][C@H]1C[NH+](C)C 229300070 344590201 /nfs/dbraw/zinc/59/02/01/344590201.db2.gz OKRSFFXJBZXPPG-BDAKNGLRSA-N 2 2 156.273 0.936 10 0 ACAELP C[C@@]1([N@@H+]2CC[C@@H]([NH3+])C2)CCOC1 229467319 344596916 /nfs/dbraw/zinc/59/69/16/344596916.db2.gz NCZREVMBQHAINI-RKDXNWHRSA-N 2 2 170.256 0.198 10 0 ACAELP C[C@@]1([N@H+]2CC[C@@H]([NH3+])C2)CCOC1 229467319 344596917 /nfs/dbraw/zinc/59/69/17/344596917.db2.gz NCZREVMBQHAINI-RKDXNWHRSA-N 2 2 170.256 0.198 10 0 ACAELP C[C@]1([N@@H+]2CC[C@@H]([NH3+])C2)CCOC1 229467310 344596936 /nfs/dbraw/zinc/59/69/36/344596936.db2.gz NCZREVMBQHAINI-BDAKNGLRSA-N 2 2 170.256 0.198 10 0 ACAELP C[C@]1([N@H+]2CC[C@@H]([NH3+])C2)CCOC1 229467310 344596940 /nfs/dbraw/zinc/59/69/40/344596940.db2.gz NCZREVMBQHAINI-BDAKNGLRSA-N 2 2 170.256 0.198 10 0 ACAELP C[NH2+][C@H]1CC[N@@H+]([C@@]2(C)CCOC2)C1 229466958 344596957 /nfs/dbraw/zinc/59/69/57/344596957.db2.gz RJUCHYHFIPMCII-UWVGGRQHSA-N 2 2 184.283 0.459 10 0 ACAELP C[NH2+][C@H]1CC[N@H+]([C@@]2(C)CCOC2)C1 229466958 344596958 /nfs/dbraw/zinc/59/69/58/344596958.db2.gz RJUCHYHFIPMCII-UWVGGRQHSA-N 2 2 184.283 0.459 10 0 ACAELP C[C@@]1([NH2+]C[C@H]2CCCC[NH2+]2)CCOC1 229471013 344596963 /nfs/dbraw/zinc/59/69/63/344596963.db2.gz XHGHPKKTVNATJP-GHMZBOCLSA-N 2 2 198.310 0.897 10 0 ACAELP C[C@@]1([N@@H+]2CCC[C@@H]([NH3+])C2)CCOC1 229493584 344598213 /nfs/dbraw/zinc/59/82/13/344598213.db2.gz RJKOSTBJGPNIFE-NXEZZACHSA-N 2 2 184.283 0.589 10 0 ACAELP C[C@]1([N@@H+]2CCC[C@@H]([NH3+])C2)CCOC1 229493576 344598372 /nfs/dbraw/zinc/59/83/72/344598372.db2.gz RJKOSTBJGPNIFE-ZJUUUORDSA-N 2 2 184.283 0.589 10 0 ACAELP C[C@]1([N@H+]2CCC[C@@H]([NH3+])C2)CCOC1 229493576 344598374 /nfs/dbraw/zinc/59/83/74/344598374.db2.gz RJKOSTBJGPNIFE-ZJUUUORDSA-N 2 2 184.283 0.589 10 0 ACAELP C[NH2+][C@@H]1CCC[N@@H+]([C@@]2(C)CCOC2)C1 229493521 344598392 /nfs/dbraw/zinc/59/83/92/344598392.db2.gz MFGFAGXBBULHEF-MNOVXSKESA-N 2 2 198.310 0.849 10 0 ACAELP C[NH2+][C@@H]1CCC[N@H+]([C@@]2(C)CCOC2)C1 229493521 344598394 /nfs/dbraw/zinc/59/83/94/344598394.db2.gz MFGFAGXBBULHEF-MNOVXSKESA-N 2 2 198.310 0.849 10 0 ACAELP C[NH2+][C@H]1CCC[N@@H+]([C@@]2(C)CCOC2)C1 229493527 344598442 /nfs/dbraw/zinc/59/84/42/344598442.db2.gz MFGFAGXBBULHEF-QWRGUYRKSA-N 2 2 198.310 0.849 10 0 ACAELP C[NH2+][C@H]1CCC[N@H+]([C@@]2(C)CCOC2)C1 229493527 344598445 /nfs/dbraw/zinc/59/84/45/344598445.db2.gz MFGFAGXBBULHEF-QWRGUYRKSA-N 2 2 198.310 0.849 10 0 ACAELP C[C@H]1C[NH2+]CC[C@@]1([NH3+])c1nccs1 229550647 344602697 /nfs/dbraw/zinc/60/26/97/344602697.db2.gz WVRKBQFFXXMWGG-CBAPKCEASA-N 2 2 197.307 0.927 10 0 ACAELP 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229594165 344607286 /nfs/dbraw/zinc/60/72/86/344607286.db2.gz RIPUMEGWNUBHFG-WPRPVWTQSA-N 2 2 184.283 0.315 10 0 ACAELP CC[C@H]1C[NH2+]CC[C@@]12COC(N)=[NH+]2 229826675 344617583 /nfs/dbraw/zinc/61/75/83/344617583.db2.gz VJPJZVYPFLRCTG-IONNQARKSA-N 2 2 183.255 0.090 10 0 ACAELP CC[C@@H]1C[NH2+]CC[C@]12COC(N)=[NH+]2 229826680 344617617 /nfs/dbraw/zinc/61/76/17/344617617.db2.gz VJPJZVYPFLRCTG-APPZFPTMSA-N 2 2 183.255 0.090 10 0 ACAELP CC[C@H]1C[NH2+]CC[C@]12COC(N)=[NH+]2 229826686 344617685 /nfs/dbraw/zinc/61/76/85/344617685.db2.gz VJPJZVYPFLRCTG-CBAPKCEASA-N 2 2 183.255 0.090 10 0 ACAELP CC[C@@H]1C[NH2+]CC[C@@]12COC(N)=[NH+]2 229826669 344617877 /nfs/dbraw/zinc/61/78/77/344617877.db2.gz VJPJZVYPFLRCTG-VXNVDRBHSA-N 2 2 183.255 0.090 10 0 ACAELP CC[N@H+]1C[C@H](C[NH3+])O[C@H](C)C1 230068279 344625325 /nfs/dbraw/zinc/62/53/25/344625325.db2.gz ATFMKYPTOZIBII-SFYZADRCSA-N 2 2 158.245 0.054 10 0 ACAELP CC[N@@H+]1C[C@H](C[NH3+])O[C@H](C)C1 230068279 344625328 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164.208 0.406 10 0 ACAELP [NH3+][C@@H]1COc2ccccc2[C@H]1[NH3+] 238595739 344815075 /nfs/dbraw/zinc/81/50/75/344815075.db2.gz UTEGSSWTEPOYCM-VXNVDRBHSA-N 2 2 164.208 0.406 10 0 ACAELP [NH3+]C[C@@H]([NH3+])c1cccc2c1OCC2 238620856 344816076 /nfs/dbraw/zinc/81/60/76/344816076.db2.gz YOHSIAOQOZCGEM-SECBINFHSA-N 2 2 178.235 0.580 10 0 ACAELP [NH3+]C[C@@]1([NH3+])CCc2ccccc21 238805413 344822793 /nfs/dbraw/zinc/82/27/93/344822793.db2.gz ATLBTQQKXIQVDY-JTQLQIEISA-N 2 2 162.236 0.746 10 0 ACAELP [NH3+]C[C@H]([NH3+])c1cccc2c1OCC2 238805978 344822871 /nfs/dbraw/zinc/82/28/71/344822871.db2.gz YOHSIAOQOZCGEM-VIFPVBQESA-N 2 2 178.235 0.580 10 0 ACAELP CC[N@H+](C)[C@@H]1COCC[C@H]1[NH3+] 249888615 344827885 /nfs/dbraw/zinc/82/78/85/344827885.db2.gz CYJAGNVPKYCXAI-HTQZYQBOSA-N 2 2 158.245 0.054 10 0 ACAELP CC[N@@H+](C)[C@@H]1COCC[C@H]1[NH3+] 249888615 344827888 /nfs/dbraw/zinc/82/78/88/344827888.db2.gz CYJAGNVPKYCXAI-HTQZYQBOSA-N 2 2 158.245 0.054 10 0 ACAELP CC[N@H+](C)[C@H]1COCC[C@H]1[NH3+] 249888617 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JTFKAACXFUVPFE-RKDXNWHRSA-N 2 2 172.272 0.444 10 0 ACAELP CCC[N@@H+](C)[C@@H]1COCC[C@H]1[NH3+] 250008165 344829415 /nfs/dbraw/zinc/82/94/15/344829415.db2.gz JTFKAACXFUVPFE-RKDXNWHRSA-N 2 2 172.272 0.444 10 0 ACAELP CC[N@@H+]([C@H]1CCC[NH2+]C1)[C@H]1CCOC1 249994105 344829480 /nfs/dbraw/zinc/82/94/80/344829480.db2.gz NKKVJZAKZJLMRO-QWRGUYRKSA-N 2 2 198.310 0.849 10 0 ACAELP CC[N@H+]([C@H]1CCC[NH2+]C1)[C@H]1CCOC1 249994105 344829481 /nfs/dbraw/zinc/82/94/81/344829481.db2.gz NKKVJZAKZJLMRO-QWRGUYRKSA-N 2 2 198.310 0.849 10 0 ACAELP CC[N@H+](C)[C@@H]1COCC[C@H]1[NH2+]C 250062621 344829634 /nfs/dbraw/zinc/82/96/34/344829634.db2.gz PLTUCMIBTKKNFT-RKDXNWHRSA-N 2 2 172.272 0.315 10 0 ACAELP CC[N@@H+](C)[C@@H]1COCC[C@H]1[NH2+]C 250062621 344829637 /nfs/dbraw/zinc/82/96/37/344829637.db2.gz PLTUCMIBTKKNFT-RKDXNWHRSA-N 2 2 172.272 0.315 10 0 ACAELP CC[N@@H+]([C@H]1CCCOC1)[C@@H]1CC[NH2+]C1 250079917 344830163 /nfs/dbraw/zinc/83/01/63/344830163.db2.gz UERGRPBYNUWTFR-MNOVXSKESA-N 2 2 198.310 0.849 10 0 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252982136 344923854 /nfs/dbraw/zinc/92/38/54/344923854.db2.gz UXPGTESFSOHPRO-HTQZYQBOSA-N 2 2 174.313 0.771 10 0 ACAELP C[C@H]1C[N@@H+]([C@H]2CC[NH2+]C2)CCS1 252979338 344923863 /nfs/dbraw/zinc/92/38/63/344923863.db2.gz HMNNESPVLAMMRG-IUCAKERBSA-N 2 2 186.324 0.786 10 0 ACAELP C[C@H]1C[N@H+]([C@H]2CC[NH2+]C2)CCS1 252979338 344923864 /nfs/dbraw/zinc/92/38/64/344923864.db2.gz HMNNESPVLAMMRG-IUCAKERBSA-N 2 2 186.324 0.786 10 0 ACAELP C[N@H+](C1CCC1)[C@@H]1COCC[C@H]1[NH3+] 252979834 344923962 /nfs/dbraw/zinc/92/39/62/344923962.db2.gz JRXHJPHWKKNRKK-NXEZZACHSA-N 2 2 184.283 0.587 10 0 ACAELP C[N@@H+](C1CCC1)[C@@H]1COCC[C@H]1[NH3+] 252979834 344923964 /nfs/dbraw/zinc/92/39/64/344923964.db2.gz JRXHJPHWKKNRKK-NXEZZACHSA-N 2 2 184.283 0.587 10 0 ACAELP C[N@H+](C1CCC1)[C@H]1COCC[C@H]1[NH3+] 252979835 344924011 /nfs/dbraw/zinc/92/40/11/344924011.db2.gz JRXHJPHWKKNRKK-ZJUUUORDSA-N 2 2 184.283 0.587 10 0 ACAELP C[N@@H+](C1CCC1)[C@H]1COCC[C@H]1[NH3+] 252979835 344924012 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UNZOLTTWOMARBD-JGVFFNPUSA-N 2 2 169.272 0.900 10 0 ACAELP C[C@H]1CC[N@@H+](CC(N)=[NH2+])C[C@H]1C 253079391 344926795 /nfs/dbraw/zinc/92/67/95/344926795.db2.gz UNZOLTTWOMARBD-JGVFFNPUSA-N 2 2 169.272 0.900 10 0 ACAELP CN1CC[N@H+](C)C[C@@H]1[C@H]([NH3+])C1CCC1 253101062 344927084 /nfs/dbraw/zinc/92/70/84/344927084.db2.gz AJVZIZBWZJBSDV-GHMZBOCLSA-N 2 2 197.326 0.360 10 0 ACAELP CN1CC[N@@H+](C)C[C@@H]1[C@H]([NH3+])C1CCC1 253101062 344927086 /nfs/dbraw/zinc/92/70/86/344927086.db2.gz AJVZIZBWZJBSDV-GHMZBOCLSA-N 2 2 197.326 0.360 10 0 ACAELP CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1CC[NH2+]C1 253090294 344927183 /nfs/dbraw/zinc/92/71/83/344927183.db2.gz DTGAKPIKJAVOOD-DJLDLDEBSA-N 2 2 184.283 0.097 10 0 ACAELP CC1(C)[C@@H]([NH2+][C@H]2CC[NH2+]C2)C[C@H]1O 253090295 344927188 /nfs/dbraw/zinc/92/71/88/344927188.db2.gz DTGAKPIKJAVOOD-XHNCKOQMSA-N 2 2 184.283 0.097 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CC[C@@H](O)[C@H](C)C1 253175310 344928987 /nfs/dbraw/zinc/92/89/87/344928987.db2.gz DZFISYZJTHSXBD-GJMOJQLCSA-N 2 2 185.271 0.014 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@H+]1CC[C@@H](O)[C@H](C)C1 253175310 344928989 /nfs/dbraw/zinc/92/89/89/344928989.db2.gz DZFISYZJTHSXBD-GJMOJQLCSA-N 2 2 185.271 0.014 10 0 ACAELP C[C@@H]1C[N@H+]([C@H](C)C(N)=[NH2+])CC[C@H]1O 253175309 344929121 /nfs/dbraw/zinc/92/91/21/344929121.db2.gz DZFISYZJTHSXBD-BWZBUEFSSA-N 2 2 185.271 0.014 10 0 ACAELP C[C@@H]1C[N@@H+]([C@H](C)C(N)=[NH2+])CC[C@H]1O 253175309 344929124 /nfs/dbraw/zinc/92/91/24/344929124.db2.gz DZFISYZJTHSXBD-BWZBUEFSSA-N 2 2 185.271 0.014 10 0 ACAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCCCC[C@H]1CO 253174676 344929278 /nfs/dbraw/zinc/92/92/78/344929278.db2.gz NEGNETBXNIFREX-BDAKNGLRSA-N 2 2 199.298 0.548 10 0 ACAELP C[C@H](C(N)=[NH2+])[N@H+]1CCCCC[C@H]1CO 253174676 344929280 /nfs/dbraw/zinc/92/92/80/344929280.db2.gz NEGNETBXNIFREX-BDAKNGLRSA-N 2 2 199.298 0.548 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCCCC[C@H]1CO 253174677 344929305 /nfs/dbraw/zinc/92/93/05/344929305.db2.gz NEGNETBXNIFREX-IUCAKERBSA-N 2 2 199.298 0.548 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCCCC[C@H]1CO 253174677 344929307 /nfs/dbraw/zinc/92/93/07/344929307.db2.gz NEGNETBXNIFREX-IUCAKERBSA-N 2 2 199.298 0.548 10 0 ACAELP C[C@@H]1C[N@H+]([C@H](C)C(N)=[NH2+])CC[C@@H]1O 253175311 344929320 /nfs/dbraw/zinc/92/93/20/344929320.db2.gz DZFISYZJTHSXBD-PRJMDXOYSA-N 2 2 185.271 0.014 10 0 ACAELP C[C@@H]1C[N@@H+]([C@H](C)C(N)=[NH2+])CC[C@@H]1O 253175311 344929324 /nfs/dbraw/zinc/92/93/24/344929324.db2.gz DZFISYZJTHSXBD-PRJMDXOYSA-N 2 2 185.271 0.014 10 0 ACAELP CC[N@H+]1CCCOC[C@H]1C[NH3+] 253183941 344930254 /nfs/dbraw/zinc/93/02/54/344930254.db2.gz MPYJCIPNWMSOCU-MRVPVSSYSA-N 2 2 158.245 0.056 10 0 ACAELP CC[N@H+]1CCCOC[C@@H]1C[NH3+] 253183943 344930351 /nfs/dbraw/zinc/93/03/51/344930351.db2.gz MPYJCIPNWMSOCU-QMMMGPOBSA-N 2 2 158.245 0.056 10 0 ACAELP CC[N@@H+]1CCCOC[C@H]1C[NH3+] 253183941 344930252 /nfs/dbraw/zinc/93/02/52/344930252.db2.gz MPYJCIPNWMSOCU-MRVPVSSYSA-N 2 2 158.245 0.056 10 0 ACAELP CC[N@@H+]1CCCOC[C@@H]1C[NH3+] 253183943 344930348 /nfs/dbraw/zinc/93/03/48/344930348.db2.gz MPYJCIPNWMSOCU-QMMMGPOBSA-N 2 2 158.245 0.056 10 0 ACAELP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1COC1 253303091 344933229 /nfs/dbraw/zinc/93/32/29/344933229.db2.gz RIPUMEGWNUBHFG-WCBMZHEXSA-N 2 2 184.283 0.315 10 0 ACAELP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1COC1 253303091 344933231 /nfs/dbraw/zinc/93/32/31/344933231.db2.gz RIPUMEGWNUBHFG-WCBMZHEXSA-N 2 2 184.283 0.315 10 0 ACAELP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1COC1 253303090 344933325 /nfs/dbraw/zinc/93/33/25/344933325.db2.gz RIPUMEGWNUBHFG-PSASIEDQSA-N 2 2 184.283 0.315 10 0 ACAELP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1COC1 253303090 344933329 /nfs/dbraw/zinc/93/33/29/344933329.db2.gz RIPUMEGWNUBHFG-PSASIEDQSA-N 2 2 184.283 0.315 10 0 ACAELP C[N@@H+]1CCC[C@H]1c1nc(C[NH3+])no1 257962936 344943767 /nfs/dbraw/zinc/94/37/67/344943767.db2.gz JLHRMBDWCXVOAI-LURJTMIESA-N 2 2 182.227 0.295 10 0 ACAELP C[N@H+]1CCC[C@H]1c1nc(C[NH3+])no1 257962936 344943770 /nfs/dbraw/zinc/94/37/70/344943770.db2.gz JLHRMBDWCXVOAI-LURJTMIESA-N 2 2 182.227 0.295 10 0 ACAELP OCCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299894135 344958107 /nfs/dbraw/zinc/95/81/07/344958107.db2.gz SVNGSLJQHZOSOB-VHSXEESVSA-N 2 2 184.283 0.053 10 0 ACAELP OCCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299894135 344958110 /nfs/dbraw/zinc/95/81/10/344958110.db2.gz SVNGSLJQHZOSOB-VHSXEESVSA-N 2 2 184.283 0.053 10 0 ACAELP C[C@H](O)CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893587 344958171 /nfs/dbraw/zinc/95/81/71/344958171.db2.gz MRAGPZNZWVENTD-GARJFASQSA-N 2 2 198.310 0.441 10 0 ACAELP C[C@H](O)CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893587 344958173 /nfs/dbraw/zinc/95/81/73/344958173.db2.gz MRAGPZNZWVENTD-GARJFASQSA-N 2 2 198.310 0.441 10 0 ACAELP OCCC[N@@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299894134 344958202 /nfs/dbraw/zinc/95/82/02/344958202.db2.gz SVNGSLJQHZOSOB-NXEZZACHSA-N 2 2 184.283 0.053 10 0 ACAELP OCCC[N@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299894134 344958203 /nfs/dbraw/zinc/95/82/03/344958203.db2.gz 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RZTFZAOOVLYICD-MRVPVSSYSA-N 2 2 154.257 0.690 10 0 ACAELP CN(Cc1[nH]cc[nH+]1)C1CC[NH2+]CC1 306469594 345332568 /nfs/dbraw/zinc/33/25/68/345332568.db2.gz PPHZGFBINUOLBF-UHFFFAOYSA-N 2 2 194.282 0.594 10 0 ACAELP C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H]1[NH3+] 306479099 345346223 /nfs/dbraw/zinc/34/62/23/345346223.db2.gz BAEVKHWXCMVXGS-SFYZADRCSA-N 2 2 180.255 0.189 10 0 ACAELP C[NH2+]CC[N@@H+]1CCC[C@]12CCOC2 306479110 345346292 /nfs/dbraw/zinc/34/62/92/345346292.db2.gz BBVOEWMHJIDPHP-SNVBAGLBSA-N 2 2 184.283 0.461 10 0 ACAELP C[NH2+]CC[N@H+]1CCC[C@]12CCOC2 306479110 345346293 /nfs/dbraw/zinc/34/62/93/345346293.db2.gz BBVOEWMHJIDPHP-SNVBAGLBSA-N 2 2 184.283 0.461 10 0 ACAELP C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H]1[NH3+] 306479100 345346302 /nfs/dbraw/zinc/34/63/02/345346302.db2.gz BAEVKHWXCMVXGS-YUMQZZPRSA-N 2 2 180.255 0.189 10 0 ACAELP C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@H]1[NH3+] 306479098 345346315 /nfs/dbraw/zinc/34/63/15/345346315.db2.gz BAEVKHWXCMVXGS-JGVFFNPUSA-N 2 2 180.255 0.189 10 0 ACAELP C[NH2+]CC[N@@H+]1CCC[C@@]12CCOC2 306479108 345346326 /nfs/dbraw/zinc/34/63/26/345346326.db2.gz BBVOEWMHJIDPHP-JTQLQIEISA-N 2 2 184.283 0.461 10 0 ACAELP C[NH2+]CC[N@H+]1CCC[C@@]12CCOC2 306479108 345346327 /nfs/dbraw/zinc/34/63/27/345346327.db2.gz BBVOEWMHJIDPHP-JTQLQIEISA-N 2 2 184.283 0.461 10 0 ACAELP COCc1c[nH+]cn1C1CC([NH3+])C1 306479982 345347170 /nfs/dbraw/zinc/34/71/70/345347170.db2.gz MLMVLJMGYQZYPM-UHFFFAOYSA-N 2 2 181.239 0.692 10 0 ACAELP C[C@@H]1CC[NH2+][C@@H]1C[NH+]1CC=CC1 306481422 345349658 /nfs/dbraw/zinc/34/96/58/345349658.db2.gz NVGMXNUBYMYICO-NXEZZACHSA-N 2 2 166.268 0.856 10 0 ACAELP C[C@@H]1CC[NH2+][C@H]1C[NH+]1CC=CC1 306481436 345349698 /nfs/dbraw/zinc/34/96/98/345349698.db2.gz NVGMXNUBYMYICO-ZJUUUORDSA-N 2 2 166.268 0.856 10 0 ACAELP C[C@H]1CC[NH2+][C@@H]1C[NH+]1CC=CC1 306481431 345349765 /nfs/dbraw/zinc/34/97/65/345349765.db2.gz NVGMXNUBYMYICO-VHSXEESVSA-N 2 2 166.268 0.856 10 0 ACAELP C[C@H]1CC[NH2+][C@H]1C[NH+]1CC=CC1 306481427 345349875 /nfs/dbraw/zinc/34/98/75/345349875.db2.gz NVGMXNUBYMYICO-UWVGGRQHSA-N 2 2 166.268 0.856 10 0 ACAELP CO[C@@]1(C)CC[N@@H+]([C@H](C)C(N)=[NH2+])C1 306484833 345353960 /nfs/dbraw/zinc/35/39/60/345353960.db2.gz QVFYYNJEAOMASD-APPZFPTMSA-N 2 2 185.271 0.422 10 0 ACAELP CO[C@@]1(C)CC[N@H+]([C@H](C)C(N)=[NH2+])C1 306484833 345353961 /nfs/dbraw/zinc/35/39/61/345353961.db2.gz QVFYYNJEAOMASD-APPZFPTMSA-N 2 2 185.271 0.422 10 0 ACAELP CO[C@@]1(C)CC[N@@H+]([C@@H](C)C(N)=[NH2+])C1 306484835 345353973 /nfs/dbraw/zinc/35/39/73/345353973.db2.gz QVFYYNJEAOMASD-CBAPKCEASA-N 2 2 185.271 0.422 10 0 ACAELP CO[C@@]1(C)CC[N@H+]([C@@H](C)C(N)=[NH2+])C1 306484835 345353974 /nfs/dbraw/zinc/35/39/74/345353974.db2.gz QVFYYNJEAOMASD-CBAPKCEASA-N 2 2 185.271 0.422 10 0 ACAELP CO[C@]1(C)CC[N@@H+]([C@H](C)C(N)=[NH2+])C1 306484839 345354016 /nfs/dbraw/zinc/35/40/16/345354016.db2.gz QVFYYNJEAOMASD-VXNVDRBHSA-N 2 2 185.271 0.422 10 0 ACAELP CO[C@]1(C)CC[N@H+]([C@H](C)C(N)=[NH2+])C1 306484839 345354017 /nfs/dbraw/zinc/35/40/17/345354017.db2.gz QVFYYNJEAOMASD-VXNVDRBHSA-N 2 2 185.271 0.422 10 0 ACAELP CO[C@]1(C)CC[N@@H+]([C@@H](C)C(N)=[NH2+])C1 306484837 345354136 /nfs/dbraw/zinc/35/41/36/345354136.db2.gz QVFYYNJEAOMASD-IONNQARKSA-N 2 2 185.271 0.422 10 0 ACAELP CO[C@]1(C)CC[N@H+]([C@@H](C)C(N)=[NH2+])C1 306484837 345354138 /nfs/dbraw/zinc/35/41/38/345354138.db2.gz QVFYYNJEAOMASD-IONNQARKSA-N 2 2 185.271 0.422 10 0 ACAELP C[NH2+]C(C)(C)C[NH+]1CCC1 306490540 345362674 /nfs/dbraw/zinc/36/26/74/345362674.db2.gz NAEQUECAIPXQHX-UHFFFAOYSA-N 2 2 142.246 0.690 10 0 ACAELP C[NH2+][C@@H]1CCN(Cc2[nH]cc[nH+]2)C1 306493858 345367344 /nfs/dbraw/zinc/36/73/44/345367344.db2.gz SOLPVWYLYBQHLX-MRVPVSSYSA-N 2 2 180.255 0.203 10 0 ACAELP C[NH2+][C@H]1CCN(Cc2[nH]cc[nH+]2)C1 306493859 345367378 /nfs/dbraw/zinc/36/73/78/345367378.db2.gz SOLPVWYLYBQHLX-QMMMGPOBSA-N 2 2 180.255 0.203 10 0 ACAELP [NH3+]CC[NH+]1CCC(n2cccn2)CC1 306496855 345371270 /nfs/dbraw/zinc/37/12/70/345371270.db2.gz YUVKQSOARJKQFZ-UHFFFAOYSA-N 2 2 194.282 0.479 10 0 ACAELP [NH3+]C1CC[NH+](Cc2cn[nH]c2)CC1 306498667 345372893 /nfs/dbraw/zinc/37/28/93/345372893.db2.gz UPXQGUDDIJSBOI-UHFFFAOYSA-N 2 2 180.255 0.333 10 0 ACAELP Cn1c[nH+]c([C@H]2C[C@@H]2[NH3+])c1 306515670 345386927 /nfs/dbraw/zinc/38/69/27/345386927.db2.gz FCFDGKVIUCNKNX-WDSKDSINSA-N 2 2 137.186 0.235 10 0 ACAELP Cn1c[nH+]c([C@H]2C[C@H]2[NH3+])c1 306515667 345387066 /nfs/dbraw/zinc/38/70/66/345387066.db2.gz FCFDGKVIUCNKNX-NTSWFWBYSA-N 2 2 137.186 0.235 10 0 ACAELP Cn1c[nH+]c([C@@H]2C[C@H]2[NH3+])c1 306515668 345387121 /nfs/dbraw/zinc/38/71/21/345387121.db2.gz FCFDGKVIUCNKNX-PHDIDXHHSA-N 2 2 137.186 0.235 10 0 ACAELP Cn1c[nH+]c([C@@H]2C[C@@H]2[NH3+])c1 306515669 345387153 /nfs/dbraw/zinc/38/71/53/345387153.db2.gz FCFDGKVIUCNKNX-RITPCOANSA-N 2 2 137.186 0.235 10 0 ACAELP CC1(C)C[NH+]([C@]2(C[NH3+])CCCOC2)C1 306516285 345387437 /nfs/dbraw/zinc/38/74/37/345387437.db2.gz BMFOPNUDUITDCM-NSHDSACASA-N 2 2 198.310 0.836 10 0 ACAELP CC1(C)C[NH+]([C@@]2(C[NH3+])CCCOC2)C1 306516283 345387595 /nfs/dbraw/zinc/38/75/95/345387595.db2.gz BMFOPNUDUITDCM-LLVKDONJSA-N 2 2 198.310 0.836 10 0 ACAELP C[C@@H]([NH3+])c1nc(C(C)(C)[NH+](C)C)no1 306519398 345390793 /nfs/dbraw/zinc/39/07/93/345390793.db2.gz ISDQRFHHOWPAGK-ZCFIWIBFSA-N 2 2 198.270 0.886 10 0 ACAELP C1CO[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 306521569 345392988 /nfs/dbraw/zinc/39/29/88/345392988.db2.gz NGTZHZISPNNDIA-VWYCJHECSA-N 2 2 196.294 0.459 10 0 ACAELP C1CO[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 306521569 345392989 /nfs/dbraw/zinc/39/29/89/345392989.db2.gz NGTZHZISPNNDIA-VWYCJHECSA-N 2 2 196.294 0.459 10 0 ACAELP C1CO[C@@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 306521568 345393156 /nfs/dbraw/zinc/39/31/56/345393156.db2.gz NGTZHZISPNNDIA-MXWKQRLJSA-N 2 2 196.294 0.459 10 0 ACAELP C1CO[C@@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 306521568 345393157 /nfs/dbraw/zinc/39/31/57/345393157.db2.gz NGTZHZISPNNDIA-MXWKQRLJSA-N 2 2 196.294 0.459 10 0 ACAELP C[NH+](C)C(C)(C)c1ncc(C[NH3+])[nH]1 306522225 345394608 /nfs/dbraw/zinc/39/46/08/345394608.db2.gz PHOIUCZOPCUMLV-UHFFFAOYSA-N 2 2 182.271 0.665 10 0 ACAELP CCC[C@H](OC)[C@H]([NH3+])C[NH3+] 306522487 345394956 /nfs/dbraw/zinc/39/49/56/345394956.db2.gz QCBMUJMGOAKYAP-RQJHMYQMSA-N 2 2 146.234 0.088 10 0 ACAELP CCC[C@@H](OC)[C@@H]([NH3+])C[NH3+] 306522485 345394995 /nfs/dbraw/zinc/39/49/95/345394995.db2.gz QCBMUJMGOAKYAP-NKWVEPMBSA-N 2 2 146.234 0.088 10 0 ACAELP CCC[C@@H](OC)[C@H]([NH3+])C[NH3+] 306522486 345395116 /nfs/dbraw/zinc/39/51/16/345395116.db2.gz QCBMUJMGOAKYAP-RNFRBKRXSA-N 2 2 146.234 0.088 10 0 ACAELP CCC[C@H](OC)[C@@H]([NH3+])C[NH3+] 306522484 345395136 /nfs/dbraw/zinc/39/51/36/345395136.db2.gz QCBMUJMGOAKYAP-BQBZGAKWSA-N 2 2 146.234 0.088 10 0 ACAELP Cc1[nH+]ccc(NC(=O)C[NH3+])c1C 306542634 345416651 /nfs/dbraw/zinc/41/66/51/345416651.db2.gz QYKRCEAIKCMEEK-UHFFFAOYSA-N 2 2 179.223 0.596 10 0 ACAELP COC1([C@H]([NH3+])C[NH3+])CCCCC1 306543199 345417133 /nfs/dbraw/zinc/41/71/33/345417133.db2.gz RVTMFFFQFUSSII-MRVPVSSYSA-N 2 2 172.272 0.622 10 0 ACAELP COC1([C@@H]([NH3+])C[NH3+])CCCCC1 306543200 345417309 /nfs/dbraw/zinc/41/73/09/345417309.db2.gz RVTMFFFQFUSSII-QMMMGPOBSA-N 2 2 172.272 0.622 10 0 ACAELP FCC[NH+]1CCC[NH2+]CCC1 306552125 345427536 /nfs/dbraw/zinc/42/75/36/345427536.db2.gz AVMWYCOODDGPBL-UHFFFAOYSA-N 2 2 160.236 0.641 10 0 ACAELP C[C@H]1[C@H](C)CC[N@@H+]1CC(N)=[NH2+] 306556150 345431559 /nfs/dbraw/zinc/43/15/59/345431559.db2.gz MNDFCCWEKPZFTC-RQJHMYQMSA-N 2 2 155.245 0.653 10 0 ACAELP C[C@H]1[C@H](C)CC[N@H+]1CC(N)=[NH2+] 306556150 345431562 /nfs/dbraw/zinc/43/15/62/345431562.db2.gz MNDFCCWEKPZFTC-RQJHMYQMSA-N 2 2 155.245 0.653 10 0 ACAELP C[C@H]1CC[N@H+](CC(N)=[NH2+])[C@H]1C 306556147 345431690 /nfs/dbraw/zinc/43/16/90/345431690.db2.gz MNDFCCWEKPZFTC-BQBZGAKWSA-N 2 2 155.245 0.653 10 0 ACAELP C[C@H]1CC[N@@H+](CC(N)=[NH2+])[C@H]1C 306556147 345431693 /nfs/dbraw/zinc/43/16/93/345431693.db2.gz MNDFCCWEKPZFTC-BQBZGAKWSA-N 2 2 155.245 0.653 10 0 ACAELP C[C@@H]1CC[N@H+](CC(N)=[NH2+])[C@@H]1C 306556149 345431737 /nfs/dbraw/zinc/43/17/37/345431737.db2.gz MNDFCCWEKPZFTC-RNFRBKRXSA-N 2 2 155.245 0.653 10 0 ACAELP C[C@@H]1CC[N@@H+](CC(N)=[NH2+])[C@@H]1C 306556149 345431740 /nfs/dbraw/zinc/43/17/40/345431740.db2.gz MNDFCCWEKPZFTC-RNFRBKRXSA-N 2 2 155.245 0.653 10 0 ACAELP C[C@H]1CC[N@H+](CC(N)=[NH2+])[C@@H]1C 306556148 345431752 /nfs/dbraw/zinc/43/17/52/345431752.db2.gz MNDFCCWEKPZFTC-NKWVEPMBSA-N 2 2 155.245 0.653 10 0 ACAELP C[C@H]1CC[N@@H+](CC(N)=[NH2+])[C@@H]1C 306556148 345431754 /nfs/dbraw/zinc/43/17/54/345431754.db2.gz MNDFCCWEKPZFTC-NKWVEPMBSA-N 2 2 155.245 0.653 10 0 ACAELP C[C@@H]1OCC[N@H+](CC2C[NH2+]C2)[C@@H]1C 306556523 345432293 /nfs/dbraw/zinc/43/22/93/345432293.db2.gz MRQNZIMIFMKSQO-BDAKNGLRSA-N 2 2 184.283 0.315 10 0 ACAELP C[C@@H]1OCC[N@@H+](CC2C[NH2+]C2)[C@@H]1C 306556523 345432295 /nfs/dbraw/zinc/43/22/95/345432295.db2.gz MRQNZIMIFMKSQO-BDAKNGLRSA-N 2 2 184.283 0.315 10 0 ACAELP 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306618463 345491927 /nfs/dbraw/zinc/49/19/27/345491927.db2.gz SMMNIYNHSFPCNC-VHSXEESVSA-N 2 2 195.266 0.907 10 0 ACAELP CC[N@H+](C)C1(C[NH3+])CSC1 306619255 345492307 /nfs/dbraw/zinc/49/23/07/345492307.db2.gz SUZKRWXTBVQTTK-UHFFFAOYSA-N 2 2 160.286 0.382 10 0 ACAELP CC[N@@H+](C)C1(C[NH3+])CSC1 306619255 345492309 /nfs/dbraw/zinc/49/23/09/345492309.db2.gz SUZKRWXTBVQTTK-UHFFFAOYSA-N 2 2 160.286 0.382 10 0 ACAELP C[C@@H](C[C@H]1CCC[NH2+]1)[NH+]1CC(O)C1 306621949 345494117 /nfs/dbraw/zinc/49/41/17/345494117.db2.gz CSFZFHWWFADSGO-DTWKUNHWSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH+]1CC(O)C1 306621950 345494124 /nfs/dbraw/zinc/49/41/24/345494124.db2.gz CSFZFHWWFADSGO-IUCAKERBSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@H](C[C@@H]1CCC[NH2+]1)[NH+]1CC(O)C1 306621947 345494311 /nfs/dbraw/zinc/49/43/11/345494311.db2.gz CSFZFHWWFADSGO-BDAKNGLRSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@H](C[C@H]1CCC[NH2+]1)[NH+]1CC(O)C1 306621951 345494407 /nfs/dbraw/zinc/49/44/07/345494407.db2.gz 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CC[C@@H](C(N)=[NH2+])[N@@H+]1C[C@H](O)C(C)(C)C1 306643476 345512279 /nfs/dbraw/zinc/51/22/79/345512279.db2.gz WTUAENFGXSSCAE-YUMQZZPRSA-N 2 2 199.298 0.404 10 0 ACAELP CC[C@@H](C(N)=[NH2+])[N@H+]1C[C@H](O)C(C)(C)C1 306643476 345512280 /nfs/dbraw/zinc/51/22/80/345512280.db2.gz WTUAENFGXSSCAE-YUMQZZPRSA-N 2 2 199.298 0.404 10 0 ACAELP CC[C@H](C(N)=[NH2+])[N@@H+]1C[C@H](O)C(C)(C)C1 306643475 345512321 /nfs/dbraw/zinc/51/23/21/345512321.db2.gz WTUAENFGXSSCAE-SFYZADRCSA-N 2 2 199.298 0.404 10 0 ACAELP CC[C@H](C(N)=[NH2+])[N@H+]1C[C@H](O)C(C)(C)C1 306643475 345512322 /nfs/dbraw/zinc/51/23/22/345512322.db2.gz WTUAENFGXSSCAE-SFYZADRCSA-N 2 2 199.298 0.404 10 0 ACAELP CC[C@@H](C(N)=[NH2+])[N@@H+]1C[C@@H](O)C(C)(C)C1 306643474 345512467 /nfs/dbraw/zinc/51/24/67/345512467.db2.gz WTUAENFGXSSCAE-JGVFFNPUSA-N 2 2 199.298 0.404 10 0 ACAELP CC[C@@H](C(N)=[NH2+])[N@H+]1C[C@@H](O)C(C)(C)C1 306643474 345512469 /nfs/dbraw/zinc/51/24/69/345512469.db2.gz WTUAENFGXSSCAE-JGVFFNPUSA-N 2 2 199.298 0.404 10 0 ACAELP CCNC(=[NH2+])Cn1cc[nH+]c1 306644341 345513490 /nfs/dbraw/zinc/51/34/90/345513490.db2.gz ZENUHSBFFSFASP-UHFFFAOYSA-N 2 2 152.201 0.470 10 0 ACAELP CC1CC[NH+](CC2=[NH+]CCN2)CC1 306644970 345514232 /nfs/dbraw/zinc/51/42/32/345514232.db2.gz AYVYVIPRVSSZRS-UHFFFAOYSA-N 2 2 181.283 0.720 10 0 ACAELP CC1(C)C[NH+]([C@H]2C[NH2+]CC[C@]2(C)O)C1 306645936 345514636 /nfs/dbraw/zinc/51/46/36/345514636.db2.gz CXDADRBWEJZIFC-ONGXEEELSA-N 2 2 198.310 0.441 10 0 ACAELP CC1(C)C[NH+]([C@H]2C[NH2+]CC[C@@]2(C)O)C1 306645918 345514654 /nfs/dbraw/zinc/51/46/54/345514654.db2.gz CXDADRBWEJZIFC-GXSJLCMTSA-N 2 2 198.310 0.441 10 0 ACAELP CC1(C)C[NH+]([C@@H]2C[NH2+]CC[C@]2(C)O)C1 306645924 345514835 /nfs/dbraw/zinc/51/48/35/345514835.db2.gz CXDADRBWEJZIFC-KOLCDFICSA-N 2 2 198.310 0.441 10 0 ACAELP CC1(C)C[NH+]([C@@H]2C[NH2+]CC[C@@]2(C)O)C1 306645931 345514861 /nfs/dbraw/zinc/51/48/61/345514861.db2.gz CXDADRBWEJZIFC-MWLCHTKSSA-N 2 2 198.310 0.441 10 0 ACAELP CC[C@@H]1C[N@@H+]([C@H]2CCOC2)C[C@H]1[NH3+] 306649627 345516932 /nfs/dbraw/zinc/51/69/32/345516932.db2.gz BRTYNYYCASIRFB-KXUCPTDWSA-N 2 2 184.283 0.444 10 0 ACAELP CC[C@@H]1C[N@@H+]([C@H]2CCOC2)C[C@@H]1[NH3+] 306649630 345517088 /nfs/dbraw/zinc/51/70/88/345517088.db2.gz BRTYNYYCASIRFB-UTLUCORTSA-N 2 2 184.283 0.444 10 0 ACAELP CC[C@@H]1C[N@H+]([C@H]2CCOC2)C[C@@H]1[NH3+] 306649630 345517091 /nfs/dbraw/zinc/51/70/91/345517091.db2.gz BRTYNYYCASIRFB-UTLUCORTSA-N 2 2 184.283 0.444 10 0 ACAELP CC[C@@H]1C[N@@H+]([C@@H]2CCOC2)C[C@@H]1[NH3+] 306649626 345517117 /nfs/dbraw/zinc/51/71/17/345517117.db2.gz BRTYNYYCASIRFB-BBBLOLIVSA-N 2 2 184.283 0.444 10 0 ACAELP CC[C@@H]1C[N@H+]([C@@H]2CCOC2)C[C@@H]1[NH3+] 306649626 345517120 /nfs/dbraw/zinc/51/71/20/345517120.db2.gz BRTYNYYCASIRFB-BBBLOLIVSA-N 2 2 184.283 0.444 10 0 ACAELP CC[C@@H]1C[N@@H+]([C@@H]2CCOC2)C[C@H]1[NH3+] 306649629 345517173 /nfs/dbraw/zinc/51/71/73/345517173.db2.gz BRTYNYYCASIRFB-OPRDCNLKSA-N 2 2 184.283 0.444 10 0 ACAELP CC[C@@H]1C[N@H+]([C@@H]2CCOC2)C[C@H]1[NH3+] 306649629 345517174 /nfs/dbraw/zinc/51/71/74/345517174.db2.gz BRTYNYYCASIRFB-OPRDCNLKSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CC[C@@H](O)C1(C)C 306650554 345517664 /nfs/dbraw/zinc/51/76/64/345517664.db2.gz FPPZAMFPGJTPKC-NKWVEPMBSA-N 2 2 185.271 0.156 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@H+]1CC[C@@H](O)C1(C)C 306650554 345517667 /nfs/dbraw/zinc/51/76/67/345517667.db2.gz FPPZAMFPGJTPKC-NKWVEPMBSA-N 2 2 185.271 0.156 10 0 ACAELP CC(C)[N@@H+]1CCOC[C@@H]([NH3+])C1 306650598 345517687 /nfs/dbraw/zinc/51/76/87/345517687.db2.gz BXUDIRWNNXWTIR-QMMMGPOBSA-N 2 2 158.245 0.054 10 0 ACAELP CC(C)[N@H+]1CCOC[C@@H]([NH3+])C1 306650598 345517689 /nfs/dbraw/zinc/51/76/89/345517689.db2.gz BXUDIRWNNXWTIR-QMMMGPOBSA-N 2 2 158.245 0.054 10 0 ACAELP CC(C)[N@@H+]1CCOC[C@H]([NH3+])C1 306650597 345517735 /nfs/dbraw/zinc/51/77/35/345517735.db2.gz BXUDIRWNNXWTIR-MRVPVSSYSA-N 2 2 158.245 0.054 10 0 ACAELP CC(C)[N@H+]1CCOC[C@H]([NH3+])C1 306650597 345517737 /nfs/dbraw/zinc/51/77/37/345517737.db2.gz BXUDIRWNNXWTIR-MRVPVSSYSA-N 2 2 158.245 0.054 10 0 ACAELP C[C@H](C(N)=[NH2+])[N@@H+]1CC[C@H](O)C1(C)C 306650557 345517776 /nfs/dbraw/zinc/51/77/76/345517776.db2.gz FPPZAMFPGJTPKC-RQJHMYQMSA-N 2 2 185.271 0.156 10 0 ACAELP C[C@H](C(N)=[NH2+])[N@H+]1CC[C@H](O)C1(C)C 306650557 345517777 /nfs/dbraw/zinc/51/77/77/345517777.db2.gz FPPZAMFPGJTPKC-RQJHMYQMSA-N 2 2 185.271 0.156 10 0 ACAELP C[NH+]1CC(C[NH2+]C2CCC2)C1 306650605 345517810 /nfs/dbraw/zinc/51/78/10/345517810.db2.gz BYNAJAXJJCPLSA-UHFFFAOYSA-N 2 2 154.257 0.690 10 0 ACAELP C[C@H](C(N)=[NH2+])[N@@H+]1CC[C@@H](O)C1(C)C 306650555 345517821 /nfs/dbraw/zinc/51/78/21/345517821.db2.gz FPPZAMFPGJTPKC-RNFRBKRXSA-N 2 2 185.271 0.156 10 0 ACAELP C[C@H](C(N)=[NH2+])[N@H+]1CC[C@@H](O)C1(C)C 306650555 345517823 /nfs/dbraw/zinc/51/78/23/345517823.db2.gz FPPZAMFPGJTPKC-RNFRBKRXSA-N 2 2 185.271 0.156 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CC[C@H](O)C1(C)C 306650552 345517878 /nfs/dbraw/zinc/51/78/78/345517878.db2.gz FPPZAMFPGJTPKC-BQBZGAKWSA-N 2 2 185.271 0.156 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@H+]1CC[C@H](O)C1(C)C 306650552 345517880 /nfs/dbraw/zinc/51/78/80/345517880.db2.gz FPPZAMFPGJTPKC-BQBZGAKWSA-N 2 2 185.271 0.156 10 0 ACAELP C[C@]1(NCc2[nH]cc[nH+]2)CC[NH2+]C1 306651365 345518408 /nfs/dbraw/zinc/51/84/08/345518408.db2.gz CEKCGDZKRUYTKO-VIFPVBQESA-N 2 2 180.255 0.251 10 0 ACAELP C[C@@]1(NCc2[nH]cc[nH+]2)CC[NH2+]C1 306651364 345518511 /nfs/dbraw/zinc/51/85/11/345518511.db2.gz CEKCGDZKRUYTKO-SECBINFHSA-N 2 2 180.255 0.251 10 0 ACAELP C[C@@H]1C[NH2+]CCC[N@@H+]1CCF 306656803 345522528 /nfs/dbraw/zinc/52/25/28/345522528.db2.gz COAMRNYITJYCFP-MRVPVSSYSA-N 2 2 160.236 0.640 10 0 ACAELP C[C@@H]1C[NH2+]CCC[N@H+]1CCF 306656803 345522532 /nfs/dbraw/zinc/52/25/32/345522532.db2.gz COAMRNYITJYCFP-MRVPVSSYSA-N 2 2 160.236 0.640 10 0 ACAELP NC(=[NH2+])C[N@@H+]1CCC2(CC2)C1 306659100 345524612 /nfs/dbraw/zinc/52/46/12/345524612.db2.gz OLPIPEHVPJUTRF-UHFFFAOYSA-N 2 2 153.229 0.408 10 0 ACAELP NC(=[NH2+])C[N@H+]1CCC2(CC2)C1 306659100 345524614 /nfs/dbraw/zinc/52/46/14/345524614.db2.gz OLPIPEHVPJUTRF-UHFFFAOYSA-N 2 2 153.229 0.408 10 0 ACAELP C[NH+](C)CC1C[NH+]([C@H]2CCC[C@@H]2O)C1 306662745 345527279 /nfs/dbraw/zinc/52/72/79/345527279.db2.gz PYJKPAHWCSYQTC-QWRGUYRKSA-N 2 2 198.310 0.393 10 0 ACAELP [NH3+]C[C@@]1([NH3+])COc2ccccc2C1 306667734 345530010 /nfs/dbraw/zinc/53/00/10/345530010.db2.gz VRCYVFLHNOUFRU-SNVBAGLBSA-N 2 2 178.235 0.278 10 0 ACAELP [NH3+]C[C@]1([NH3+])COc2ccccc2C1 306667732 345530050 /nfs/dbraw/zinc/53/00/50/345530050.db2.gz VRCYVFLHNOUFRU-JTQLQIEISA-N 2 2 178.235 0.278 10 0 ACAELP Cc1n[nH]cc1C[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 306677707 345539956 /nfs/dbraw/zinc/53/99/56/345539956.db2.gz ZONZIAOILAMAHJ-XVKPBYJWSA-N 2 2 194.282 0.497 10 0 ACAELP Cc1n[nH]cc1C[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 306677707 345539957 /nfs/dbraw/zinc/53/99/57/345539957.db2.gz ZONZIAOILAMAHJ-XVKPBYJWSA-N 2 2 194.282 0.497 10 0 ACAELP Cc1n[nH]cc1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 306677706 345540118 /nfs/dbraw/zinc/54/01/18/345540118.db2.gz ZONZIAOILAMAHJ-XCBNKYQSSA-N 2 2 194.282 0.497 10 0 ACAELP Cc1n[nH]cc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 306677706 345540121 /nfs/dbraw/zinc/54/01/21/345540121.db2.gz ZONZIAOILAMAHJ-XCBNKYQSSA-N 2 2 194.282 0.497 10 0 ACAELP CC[C@](C)([C@H](C)[NH3+])[NH+]1CC(C)(O)C1 306681378 345542753 /nfs/dbraw/zinc/54/27/53/345542753.db2.gz NXRATAVMPQQHCY-WCBMZHEXSA-N 2 2 186.299 0.569 10 0 ACAELP CC[C@@](C)([C@@H](C)[NH3+])[NH+]1CC(C)(O)C1 306681377 345542775 /nfs/dbraw/zinc/54/27/75/345542775.db2.gz NXRATAVMPQQHCY-SCZZXKLOSA-N 2 2 186.299 0.569 10 0 ACAELP CC[C@@](C)([C@H](C)[NH3+])[NH+]1CC(C)(O)C1 306681379 345543003 /nfs/dbraw/zinc/54/30/03/345543003.db2.gz NXRATAVMPQQHCY-WPRPVWTQSA-N 2 2 186.299 0.569 10 0 ACAELP CC[C@](C)([C@@H](C)[NH3+])[NH+]1CC(C)(O)C1 306681376 345543010 /nfs/dbraw/zinc/54/30/10/345543010.db2.gz NXRATAVMPQQHCY-PSASIEDQSA-N 2 2 186.299 0.569 10 0 ACAELP CCCC1(O)C[NH+](C2CC([NH3+])C2)C1 306682001 345543287 /nfs/dbraw/zinc/54/32/87/345543287.db2.gz PPIUHWLYPHAXJN-UHFFFAOYSA-N 2 2 184.283 0.323 10 0 ACAELP CCC1(O)C[NH+](C2CC[NH2+]CC2)C1 306682475 345543912 /nfs/dbraw/zinc/54/39/12/345543912.db2.gz RMAYJBWPTDIFFB-UHFFFAOYSA-N 2 2 184.283 0.195 10 0 ACAELP CC1(C[NH+]2CCSCC2)C[NH2+]C1 306684730 345545538 /nfs/dbraw/zinc/54/55/38/345545538.db2.gz IOSZOFDPMIGESN-UHFFFAOYSA-N 2 2 186.324 0.645 10 0 ACAELP C[C@@H]1C[N@H+](CC2(C)C[NH2+]C2)CCO1 306687185 345547660 /nfs/dbraw/zinc/54/76/60/345547660.db2.gz LEHQDUNDBFCCFD-SECBINFHSA-N 2 2 184.283 0.317 10 0 ACAELP C[C@@H]1C[N@@H+](CC2(C)C[NH2+]C2)CCO1 306687185 345547661 /nfs/dbraw/zinc/54/76/61/345547661.db2.gz LEHQDUNDBFCCFD-SECBINFHSA-N 2 2 184.283 0.317 10 0 ACAELP C[C@H]1C[N@H+](CC2(C)C[NH2+]C2)CCO1 306687186 345547710 /nfs/dbraw/zinc/54/77/10/345547710.db2.gz LEHQDUNDBFCCFD-VIFPVBQESA-N 2 2 184.283 0.317 10 0 ACAELP C[C@H]1C[N@@H+](CC2(C)C[NH2+]C2)CCO1 306687186 345547713 /nfs/dbraw/zinc/54/77/13/345547713.db2.gz LEHQDUNDBFCCFD-VIFPVBQESA-N 2 2 184.283 0.317 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@H+]1C[C@@H](O)C[C@@H](C)C1 306689826 345548672 /nfs/dbraw/zinc/54/86/72/345548672.db2.gz OUHGWOSDHDLRIB-CSMHCCOUSA-N 2 2 185.271 0.014 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@@H+]1C[C@@H](O)C[C@@H](C)C1 306689826 345548673 /nfs/dbraw/zinc/54/86/73/345548673.db2.gz OUHGWOSDHDLRIB-CSMHCCOUSA-N 2 2 185.271 0.014 10 0 ACAELP C[C@@H]1C[C@H](O)C[N@H+]([C@H](C)C(N)=[NH2+])C1 306689828 345548693 /nfs/dbraw/zinc/54/86/93/345548693.db2.gz OUHGWOSDHDLRIB-PRJMDXOYSA-N 2 2 185.271 0.014 10 0 ACAELP C[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)C(N)=[NH2+])C1 306689828 345548695 /nfs/dbraw/zinc/54/86/95/345548695.db2.gz OUHGWOSDHDLRIB-PRJMDXOYSA-N 2 2 185.271 0.014 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@@H+]1C[C@H](C)C[C@@H](O)C1 306689827 345548763 /nfs/dbraw/zinc/54/87/63/345548763.db2.gz OUHGWOSDHDLRIB-GJMOJQLCSA-N 2 2 185.271 0.014 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@H+]1C[C@H](C)C[C@@H](O)C1 306689827 345548765 /nfs/dbraw/zinc/54/87/65/345548765.db2.gz OUHGWOSDHDLRIB-GJMOJQLCSA-N 2 2 185.271 0.014 10 0 ACAELP C[C@@H]1C[C@@H](O)C[N@H+]([C@H](C)C(N)=[NH2+])C1 306689825 345548978 /nfs/dbraw/zinc/54/89/78/345548978.db2.gz OUHGWOSDHDLRIB-BWZBUEFSSA-N 2 2 185.271 0.014 10 0 ACAELP C[C@@H]1C[C@@H](O)C[N@@H+]([C@H](C)C(N)=[NH2+])C1 306689825 345548981 /nfs/dbraw/zinc/54/89/81/345548981.db2.gz OUHGWOSDHDLRIB-BWZBUEFSSA-N 2 2 185.271 0.014 10 0 ACAELP C[C@@H]1C[C@H](O)C[N@H+]([C@H]2CC[NH2+]C2)C1 306697222 345553264 /nfs/dbraw/zinc/55/32/64/345553264.db2.gz YXYDKAOKFPOFJZ-UTLUCORTSA-N 2 2 184.283 0.051 10 0 ACAELP NC(=[NH2+])C[N@@H+]1CC2CCC1CC2 306697322 345553421 /nfs/dbraw/zinc/55/34/21/345553421.db2.gz ZBEXQHRJVCNECY-UHFFFAOYSA-N 2 2 167.256 0.797 10 0 ACAELP NC(=[NH2+])C[N@H+]1CC2CCC1CC2 306697322 345553424 /nfs/dbraw/zinc/55/34/24/345553424.db2.gz ZBEXQHRJVCNECY-UHFFFAOYSA-N 2 2 167.256 0.797 10 0 ACAELP CC[C@@H](C)[N@@H+]1CCOC[C@@H]([NH3+])C1 306698054 345553795 /nfs/dbraw/zinc/55/37/95/345553795.db2.gz CXRYRUBKAFLHIU-BDAKNGLRSA-N 2 2 172.272 0.444 10 0 ACAELP CC[C@@H](C)[N@H+]1CCOC[C@@H]([NH3+])C1 306698054 345553798 /nfs/dbraw/zinc/55/37/98/345553798.db2.gz CXRYRUBKAFLHIU-BDAKNGLRSA-N 2 2 172.272 0.444 10 0 ACAELP CC[C@H](C)[N@@H+]1CCOC[C@H]([NH3+])C1 306698056 345553833 /nfs/dbraw/zinc/55/38/33/345553833.db2.gz CXRYRUBKAFLHIU-DTWKUNHWSA-N 2 2 172.272 0.444 10 0 ACAELP CC[C@H](C)[N@H+]1CCOC[C@H]([NH3+])C1 306698056 345553836 /nfs/dbraw/zinc/55/38/36/345553836.db2.gz CXRYRUBKAFLHIU-DTWKUNHWSA-N 2 2 172.272 0.444 10 0 ACAELP CC[C@H](C)[N@@H+]1CCOC[C@@H]([NH3+])C1 306698058 345553886 /nfs/dbraw/zinc/55/38/86/345553886.db2.gz CXRYRUBKAFLHIU-IUCAKERBSA-N 2 2 172.272 0.444 10 0 ACAELP CC[C@H](C)[N@H+]1CCOC[C@@H]([NH3+])C1 306698058 345553887 /nfs/dbraw/zinc/55/38/87/345553887.db2.gz CXRYRUBKAFLHIU-IUCAKERBSA-N 2 2 172.272 0.444 10 0 ACAELP CC[C@@H](C)[N@@H+]1CCOC[C@H]([NH3+])C1 306698060 345553961 /nfs/dbraw/zinc/55/39/61/345553961.db2.gz CXRYRUBKAFLHIU-RKDXNWHRSA-N 2 2 172.272 0.444 10 0 ACAELP CC[C@@H](C)[N@H+]1CCOC[C@H]([NH3+])C1 306698060 345553962 /nfs/dbraw/zinc/55/39/62/345553962.db2.gz CXRYRUBKAFLHIU-RKDXNWHRSA-N 2 2 172.272 0.444 10 0 ACAELP C[C@@H]([C@@H](C)[NH3+])[NH+]1CC2(CC2)C1 306701367 345555814 /nfs/dbraw/zinc/55/58/14/345555814.db2.gz FETXSXAUKSULKI-SFYZADRCSA-N 2 2 154.257 0.818 10 0 ACAELP C[C@H]([NH3+])[C@H](C)[NH+]1CC2(CC2)C1 306701368 345555938 /nfs/dbraw/zinc/55/59/38/345555938.db2.gz FETXSXAUKSULKI-YUMQZZPRSA-N 2 2 154.257 0.818 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[NH+]1CC2(CC2)C1 306701365 345556138 /nfs/dbraw/zinc/55/61/38/345556138.db2.gz FETXSXAUKSULKI-JGVFFNPUSA-N 2 2 154.257 0.818 10 0 ACAELP C[C@@H]([NH3+])[C@@H](C)[NH+]1CC2(CC2)C1 306701364 345556167 /nfs/dbraw/zinc/55/61/67/345556167.db2.gz FETXSXAUKSULKI-HTQZYQBOSA-N 2 2 154.257 0.818 10 0 ACAELP CC[C@@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 306706638 345559983 /nfs/dbraw/zinc/55/99/83/345559983.db2.gz LZTDJMYKFNHFIU-HBNTYKKESA-N 2 2 198.310 0.441 10 0 ACAELP CC[C@@H](O)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 306706638 345559985 /nfs/dbraw/zinc/55/99/85/345559985.db2.gz LZTDJMYKFNHFIU-HBNTYKKESA-N 2 2 198.310 0.441 10 0 ACAELP CC[C@@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 306706637 345560205 /nfs/dbraw/zinc/56/02/05/345560205.db2.gz LZTDJMYKFNHFIU-GMTAPVOTSA-N 2 2 198.310 0.441 10 0 ACAELP CC[C@@H](O)C[N@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 306706637 345560207 /nfs/dbraw/zinc/56/02/07/345560207.db2.gz LZTDJMYKFNHFIU-GMTAPVOTSA-N 2 2 198.310 0.441 10 0 ACAELP CC[C@@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 306706635 345560215 /nfs/dbraw/zinc/56/02/15/345560215.db2.gz LZTDJMYKFNHFIU-AXFHLTTASA-N 2 2 198.310 0.441 10 0 ACAELP CC[C@@H](O)C[N@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 306706635 345560218 /nfs/dbraw/zinc/56/02/18/345560218.db2.gz LZTDJMYKFNHFIU-AXFHLTTASA-N 2 2 198.310 0.441 10 0 ACAELP C[C@H]1C[NH2+]CC[N@H+](CCF)C1 306708411 345561922 /nfs/dbraw/zinc/56/19/22/345561922.db2.gz OQDLWNRAXRMZPW-QMMMGPOBSA-N 2 2 160.236 0.497 10 0 ACAELP C[C@H]1C[NH2+]CC[N@@H+](CCF)C1 306708411 345561924 /nfs/dbraw/zinc/56/19/24/345561924.db2.gz OQDLWNRAXRMZPW-QMMMGPOBSA-N 2 2 160.236 0.497 10 0 ACAELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCn1cccn1 306709259 345562346 /nfs/dbraw/zinc/56/23/46/345562346.db2.gz QKNFQLQJWAPPMZ-UWVGGRQHSA-N 2 2 194.282 0.305 10 0 ACAELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCn1cccn1 306709259 345562348 /nfs/dbraw/zinc/56/23/48/345562348.db2.gz QKNFQLQJWAPPMZ-UWVGGRQHSA-N 2 2 194.282 0.305 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 306714518 345566783 /nfs/dbraw/zinc/56/67/83/345566783.db2.gz QTCZCNFIDPNLDC-ZJUUUORDSA-N 2 2 184.283 0.446 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 306714516 345566755 /nfs/dbraw/zinc/56/67/55/345566755.db2.gz QTCZCNFIDPNLDC-UWVGGRQHSA-N 2 2 184.283 0.446 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 306714516 345566756 /nfs/dbraw/zinc/56/67/56/345566756.db2.gz QTCZCNFIDPNLDC-UWVGGRQHSA-N 2 2 184.283 0.446 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 306714518 345566780 /nfs/dbraw/zinc/56/67/80/345566780.db2.gz QTCZCNFIDPNLDC-ZJUUUORDSA-N 2 2 184.283 0.446 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 306714515 345566828 /nfs/dbraw/zinc/56/68/28/345566828.db2.gz QTCZCNFIDPNLDC-NXEZZACHSA-N 2 2 184.283 0.446 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 306714515 345566831 /nfs/dbraw/zinc/56/68/31/345566831.db2.gz QTCZCNFIDPNLDC-NXEZZACHSA-N 2 2 184.283 0.446 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 306714517 345566953 /nfs/dbraw/zinc/56/69/53/345566953.db2.gz QTCZCNFIDPNLDC-VHSXEESVSA-N 2 2 184.283 0.446 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@H]2OCCC[C@H]2C1 306714517 345566955 /nfs/dbraw/zinc/56/69/55/345566955.db2.gz QTCZCNFIDPNLDC-VHSXEESVSA-N 2 2 184.283 0.446 10 0 ACAELP CC1(C)SC[C@H]1[N@@H+]1CC[C@H]([NH3+])C1 306718710 345570170 /nfs/dbraw/zinc/57/01/70/345570170.db2.gz JECUIQAFEYSZEJ-JGVFFNPUSA-N 2 2 186.324 0.913 10 0 ACAELP CC1(C)SC[C@H]1[N@H+]1CC[C@H]([NH3+])C1 306718710 345570172 /nfs/dbraw/zinc/57/01/72/345570172.db2.gz JECUIQAFEYSZEJ-JGVFFNPUSA-N 2 2 186.324 0.913 10 0 ACAELP CC1(C)SC[C@@H]1[N@@H+]1CC[C@@H]([NH3+])C1 306718711 345570296 /nfs/dbraw/zinc/57/02/96/345570296.db2.gz JECUIQAFEYSZEJ-SFYZADRCSA-N 2 2 186.324 0.913 10 0 ACAELP CC1(C)SC[C@@H]1[N@H+]1CC[C@@H]([NH3+])C1 306718711 345570298 /nfs/dbraw/zinc/57/02/98/345570298.db2.gz JECUIQAFEYSZEJ-SFYZADRCSA-N 2 2 186.324 0.913 10 0 ACAELP CC1(C)SC[C@@H]1[N@@H+]1CC[C@H]([NH3+])C1 306718712 345570341 /nfs/dbraw/zinc/57/03/41/345570341.db2.gz JECUIQAFEYSZEJ-YUMQZZPRSA-N 2 2 186.324 0.913 10 0 ACAELP CC1(C)SC[C@@H]1[N@H+]1CC[C@H]([NH3+])C1 306718712 345570342 /nfs/dbraw/zinc/57/03/42/345570342.db2.gz JECUIQAFEYSZEJ-YUMQZZPRSA-N 2 2 186.324 0.913 10 0 ACAELP C[C@]1(C[NH3+])CCN(Cc2[nH]cc[nH+]2)C1 306734945 345582473 /nfs/dbraw/zinc/58/24/73/345582473.db2.gz VKEWVCVGFZNBSS-SNVBAGLBSA-N 2 2 194.282 0.580 10 0 ACAELP CC1(C)SC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 306738416 345585138 /nfs/dbraw/zinc/58/51/38/345585138.db2.gz IQAGKMHZTLGBLQ-YUMQZZPRSA-N 2 2 186.324 0.832 10 0 ACAELP CC1(C)SC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 306738414 345585165 /nfs/dbraw/zinc/58/51/65/345585165.db2.gz IQAGKMHZTLGBLQ-SFYZADRCSA-N 2 2 186.324 0.832 10 0 ACAELP CC1(C)SC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 306738409 345585202 /nfs/dbraw/zinc/58/52/02/345585202.db2.gz IQAGKMHZTLGBLQ-HTQZYQBOSA-N 2 2 186.324 0.832 10 0 ACAELP CC1(C)SC[C@H]1[NH2+][C@H]1CC[NH2+]C1 306738412 345585394 /nfs/dbraw/zinc/58/53/94/345585394.db2.gz IQAGKMHZTLGBLQ-JGVFFNPUSA-N 2 2 186.324 0.832 10 0 ACAELP CC[C@@H]1C[N@@H+]([C@H]2CC[NH2+]C2)C[C@@H]1O 306744552 345587955 /nfs/dbraw/zinc/58/79/55/345587955.db2.gz YCVADDNIMRPYIE-UTLUCORTSA-N 2 2 184.283 0.051 10 0 ACAELP CC[C@@H]1C[N@@H+]([C@@H]2CC[NH2+]C2)C[C@@H]1O 306744549 345588066 /nfs/dbraw/zinc/58/80/66/345588066.db2.gz YCVADDNIMRPYIE-BBBLOLIVSA-N 2 2 184.283 0.051 10 0 ACAELP CC[C@@H]1C[N@H+]([C@@H]2CC[NH2+]C2)C[C@@H]1O 306744549 345588068 /nfs/dbraw/zinc/58/80/68/345588068.db2.gz YCVADDNIMRPYIE-BBBLOLIVSA-N 2 2 184.283 0.051 10 0 ACAELP CC[C@@H]1C[N@@H+]([C@@H]2CC[NH2+]C2)C[C@H]1O 306744551 345588146 /nfs/dbraw/zinc/58/81/46/345588146.db2.gz YCVADDNIMRPYIE-OPRDCNLKSA-N 2 2 184.283 0.051 10 0 ACAELP CC[C@@H]1C[N@H+]([C@@H]2CC[NH2+]C2)C[C@H]1O 306744551 345588148 /nfs/dbraw/zinc/58/81/48/345588148.db2.gz YCVADDNIMRPYIE-OPRDCNLKSA-N 2 2 184.283 0.051 10 0 ACAELP CC[C@@H]1C[N@@H+]([C@H]2CC[NH2+]C2)C[C@H]1O 306744550 345588293 /nfs/dbraw/zinc/58/82/93/345588293.db2.gz YCVADDNIMRPYIE-KXUCPTDWSA-N 2 2 184.283 0.051 10 0 ACAELP CC[C@@H]1C[N@H+]([C@H]2CC[NH2+]C2)C[C@H]1O 306744550 345588296 /nfs/dbraw/zinc/58/82/96/345588296.db2.gz YCVADDNIMRPYIE-KXUCPTDWSA-N 2 2 184.283 0.051 10 0 ACAELP C[C@@H]1COCC[N@@H+]([C@@H](C)C[NH3+])C1 306748010 345589617 /nfs/dbraw/zinc/58/96/17/345589617.db2.gz KWDPQONRXKZZCE-IUCAKERBSA-N 2 2 172.272 0.302 10 0 ACAELP C[C@@H]1COCC[N@@H+]([C@H](C)C[NH3+])C1 306748008 345589660 /nfs/dbraw/zinc/58/96/60/345589660.db2.gz KWDPQONRXKZZCE-DTWKUNHWSA-N 2 2 172.272 0.302 10 0 ACAELP C[C@@H]1COCC[N@H+]([C@H](C)C[NH3+])C1 306748008 345589662 /nfs/dbraw/zinc/58/96/62/345589662.db2.gz KWDPQONRXKZZCE-DTWKUNHWSA-N 2 2 172.272 0.302 10 0 ACAELP C[C@@H](C[NH3+])[N@@H+]1CCOC[C@H](C)C1 306748005 345589690 /nfs/dbraw/zinc/58/96/90/345589690.db2.gz KWDPQONRXKZZCE-BDAKNGLRSA-N 2 2 172.272 0.302 10 0 ACAELP C[C@@H](C[NH3+])[N@H+]1CCOC[C@H](C)C1 306748005 345589693 /nfs/dbraw/zinc/58/96/93/345589693.db2.gz KWDPQONRXKZZCE-BDAKNGLRSA-N 2 2 172.272 0.302 10 0 ACAELP C[C@H]1COCC[N@@H+]([C@H](C)C[NH3+])C1 306748012 345589731 /nfs/dbraw/zinc/58/97/31/345589731.db2.gz KWDPQONRXKZZCE-RKDXNWHRSA-N 2 2 172.272 0.302 10 0 ACAELP C[C@H]1COCC[N@H+]([C@H](C)C[NH3+])C1 306748012 345589735 /nfs/dbraw/zinc/58/97/35/345589735.db2.gz KWDPQONRXKZZCE-RKDXNWHRSA-N 2 2 172.272 0.302 10 0 ACAELP Cn1cc[nH+]c1[C@]1(C[NH3+])CCOC1 306756180 345593641 /nfs/dbraw/zinc/59/36/41/345593641.db2.gz LTTDRCWGDYMBRR-VIFPVBQESA-N 2 2 181.239 0.037 10 0 ACAELP Cn1cc[nH+]c1[C@@]1(C[NH3+])CCOC1 306756177 345593673 /nfs/dbraw/zinc/59/36/73/345593673.db2.gz LTTDRCWGDYMBRR-SECBINFHSA-N 2 2 181.239 0.037 10 0 ACAELP CC[C@@H](C(N)=[NH2+])[NH+]1CCC1 306757488 345594047 /nfs/dbraw/zinc/59/40/47/345594047.db2.gz SKCULMOTJJUPJM-LURJTMIESA-N 2 2 141.218 0.407 10 0 ACAELP [NH3+]C[C@@H]1CCO[C@H]1c1[nH]cc[nH+]1 306757247 345594114 /nfs/dbraw/zinc/59/41/14/345594114.db2.gz SFBYKYVANPRFMO-NKWVEPMBSA-N 2 2 167.212 0.446 10 0 ACAELP CC[C@H](C(N)=[NH2+])[NH+]1CCC1 306757489 345594246 /nfs/dbraw/zinc/59/42/46/345594246.db2.gz SKCULMOTJJUPJM-ZCFIWIBFSA-N 2 2 141.218 0.407 10 0 ACAELP COC1(C)C[NH+]([C@@H]2CCC[NH2+]CC2)C1 306764471 345599750 /nfs/dbraw/zinc/59/97/50/345599750.db2.gz HKFVXQJYAQHCBU-SNVBAGLBSA-N 2 2 198.310 0.849 10 0 ACAELP COC1(C)C[NH+]([C@H]2CCC[NH2+]CC2)C1 306764470 345600014 /nfs/dbraw/zinc/60/00/14/345600014.db2.gz HKFVXQJYAQHCBU-JTQLQIEISA-N 2 2 198.310 0.849 10 0 ACAELP C[NH2+]CC(C)(C)[NH+]1CC(C)C1 306765231 345600334 /nfs/dbraw/zinc/60/03/34/345600334.db2.gz ZSCBBLXKWJGARH-UHFFFAOYSA-N 2 2 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/nfs/dbraw/zinc/68/85/27/345688527.db2.gz YTSRWNMMZAXGHZ-FXPVBKGRSA-N 2 2 198.310 0.975 10 0 ACAELP C[C@H]1COCC[N@H+](C2(C[NH3+])CC2)C1 306903154 345692609 /nfs/dbraw/zinc/69/26/09/345692609.db2.gz IPQLMFOINQQOMK-SECBINFHSA-N 2 2 184.283 0.446 10 0 ACAELP C[C@H]1COCC[N@@H+](C2(C[NH3+])CC2)C1 306903154 345692606 /nfs/dbraw/zinc/69/26/06/345692606.db2.gz IPQLMFOINQQOMK-SECBINFHSA-N 2 2 184.283 0.446 10 0 ACAELP C[C@@H]1COCC[N@@H+](C2(C[NH3+])CC2)C1 306903155 345692748 /nfs/dbraw/zinc/69/27/48/345692748.db2.gz IPQLMFOINQQOMK-VIFPVBQESA-N 2 2 184.283 0.446 10 0 ACAELP C[C@@H]1COCC[N@H+](C2(C[NH3+])CC2)C1 306903155 345692751 /nfs/dbraw/zinc/69/27/51/345692751.db2.gz IPQLMFOINQQOMK-VIFPVBQESA-N 2 2 184.283 0.446 10 0 ACAELP C[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]1CCC[NH2+]1 306905410 345693649 /nfs/dbraw/zinc/69/36/49/345693649.db2.gz WYYAROWOVMHFRY-BBBLOLIVSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1C[C@H](O)C[N@H+]1C[C@H]1CCC[NH2+]1 306905410 345693653 /nfs/dbraw/zinc/69/36/53/345693653.db2.gz WYYAROWOVMHFRY-BBBLOLIVSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H]1CCC[NH2+]1 306905411 345693747 /nfs/dbraw/zinc/69/37/47/345693747.db2.gz WYYAROWOVMHFRY-OPRDCNLKSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1C[C@@H](O)C[N@H+]1C[C@H]1CCC[NH2+]1 306905411 345693749 /nfs/dbraw/zinc/69/37/49/345693749.db2.gz WYYAROWOVMHFRY-OPRDCNLKSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1[C@H]1CCOC1 306912116 345695340 /nfs/dbraw/zinc/69/53/40/345695340.db2.gz RNRGBMNMKOPROY-BBBLOLIVSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1[C@H]1CCOC1 306912116 345695337 /nfs/dbraw/zinc/69/53/37/345695337.db2.gz RNRGBMNMKOPROY-BBBLOLIVSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1[C@@H]1CCOC1 306912118 345695355 /nfs/dbraw/zinc/69/53/55/345695355.db2.gz RNRGBMNMKOPROY-OPRDCNLKSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1[C@@H]1CCOC1 306912118 345695357 /nfs/dbraw/zinc/69/53/57/345695357.db2.gz RNRGBMNMKOPROY-OPRDCNLKSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1[C@H]1CCOC1 306912119 345695432 /nfs/dbraw/zinc/69/54/32/345695432.db2.gz RNRGBMNMKOPROY-UTLUCORTSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1[C@H]1CCOC1 306912119 345695434 /nfs/dbraw/zinc/69/54/34/345695434.db2.gz RNRGBMNMKOPROY-UTLUCORTSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1[C@@H]1CCOC1 306912117 345695488 /nfs/dbraw/zinc/69/54/88/345695488.db2.gz RNRGBMNMKOPROY-KXUCPTDWSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1[C@@H]1CCOC1 306912117 345695489 /nfs/dbraw/zinc/69/54/89/345695489.db2.gz RNRGBMNMKOPROY-KXUCPTDWSA-N 2 2 184.283 0.587 10 0 ACAELP C[NH2+]CC[N@@H+]1CCC2(CC2)C1 306914390 345696553 /nfs/dbraw/zinc/69/65/53/345696553.db2.gz UXPZVEWCASIPDI-UHFFFAOYSA-N 2 2 154.257 0.692 10 0 ACAELP C[NH2+]CC[N@H+]1CCC2(CC2)C1 306914390 345696555 /nfs/dbraw/zinc/69/65/55/345696555.db2.gz UXPZVEWCASIPDI-UHFFFAOYSA-N 2 2 154.257 0.692 10 0 ACAELP Cc1[nH+]ccn1-c1cc(C[NH3+])ncn1 306936049 345707218 /nfs/dbraw/zinc/70/72/18/345707218.db2.gz JCDQZLSFGVDZTP-UHFFFAOYSA-N 2 2 189.222 0.429 10 0 ACAELP C[NH2+][C@@H](C)c1c[nH+]c(C)[nH]1 306937493 345707813 /nfs/dbraw/zinc/70/78/13/345707813.db2.gz FWUFHFLCYOJOKV-YFKPBYRVSA-N 2 2 139.202 0.999 10 0 ACAELP C[NH2+][C@H](C)c1c[nH+]c(C)[nH]1 306937492 345708018 /nfs/dbraw/zinc/70/80/18/345708018.db2.gz FWUFHFLCYOJOKV-RXMQYKEDSA-N 2 2 139.202 0.999 10 0 ACAELP [NH3+]CC[N@@H+]1CCOCC12CCCC2 306939208 345708940 /nfs/dbraw/zinc/70/89/40/345708940.db2.gz AQJAECHSLIICGA-UHFFFAOYSA-N 2 2 184.283 0.590 10 0 ACAELP [NH3+]CC[N@H+]1CCOCC12CCCC2 306939208 345708943 /nfs/dbraw/zinc/70/89/43/345708943.db2.gz AQJAECHSLIICGA-UHFFFAOYSA-N 2 2 184.283 0.590 10 0 ACAELP C[C@@H]1C[NH2+]C[C@H]1c1cn(C)c[nH+]1 306940581 345709256 /nfs/dbraw/zinc/70/92/56/345709256.db2.gz CBVLIXJDIDKMCM-HTQZYQBOSA-N 2 2 165.240 0.743 10 0 ACAELP C[C@H]1C[NH2+]C[C@H]1c1cn(C)c[nH+]1 306940582 345709285 /nfs/dbraw/zinc/70/92/85/345709285.db2.gz CBVLIXJDIDKMCM-JGVFFNPUSA-N 2 2 165.240 0.743 10 0 ACAELP C[C@@H]1C[NH2+]C[C@@H]1c1cn(C)c[nH+]1 306940584 345709470 /nfs/dbraw/zinc/70/94/70/345709470.db2.gz CBVLIXJDIDKMCM-SFYZADRCSA-N 2 2 165.240 0.743 10 0 ACAELP C[C@H]1C[NH2+]C[C@@H]1c1cn(C)c[nH+]1 306940585 345709555 /nfs/dbraw/zinc/70/95/55/345709555.db2.gz CBVLIXJDIDKMCM-YUMQZZPRSA-N 2 2 165.240 0.743 10 0 ACAELP C[C@H](CO)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 306942066 345710037 /nfs/dbraw/zinc/71/00/37/345710037.db2.gz RRBGMVOLRGVAOC-BBBLOLIVSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@H](CO)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 306942066 345710039 /nfs/dbraw/zinc/71/00/39/345710039.db2.gz RRBGMVOLRGVAOC-BBBLOLIVSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H](CO)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 306942065 345710232 /nfs/dbraw/zinc/71/02/32/345710232.db2.gz RRBGMVOLRGVAOC-AEJSXWLSSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H](CO)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 306942065 345710234 /nfs/dbraw/zinc/71/02/34/345710234.db2.gz RRBGMVOLRGVAOC-AEJSXWLSSA-N 2 2 184.283 0.194 10 0 ACAELP Cc1nc(N[C@H](C)[C@H](C)[NH3+])cc[nH+]1 306943877 345710488 /nfs/dbraw/zinc/71/04/88/345710488.db2.gz AINSBWGHYPGPMM-NKWVEPMBSA-N 2 2 180.255 0.933 10 0 ACAELP Cc1nc(N[C@@H](C)[C@@H](C)[NH3+])cc[nH+]1 306943879 345710657 /nfs/dbraw/zinc/71/06/57/345710657.db2.gz AINSBWGHYPGPMM-RQJHMYQMSA-N 2 2 180.255 0.933 10 0 ACAELP Cc1nc(N[C@@H](C)[C@H](C)[NH3+])cc[nH+]1 306943876 345710718 /nfs/dbraw/zinc/71/07/18/345710718.db2.gz AINSBWGHYPGPMM-BQBZGAKWSA-N 2 2 180.255 0.933 10 0 ACAELP Cc1nc(N[C@H](C)[C@@H](C)[NH3+])cc[nH+]1 306943878 345710840 /nfs/dbraw/zinc/71/08/40/345710840.db2.gz AINSBWGHYPGPMM-RNFRBKRXSA-N 2 2 180.255 0.933 10 0 ACAELP [NH3+]Cc1csc(-n2cc[nH+]c2)n1 306948302 345713760 /nfs/dbraw/zinc/71/37/60/345713760.db2.gz SGANLRAKRLHJQB-UHFFFAOYSA-N 2 2 180.236 0.788 10 0 ACAELP FC1(C[N@@H+]2CCC[NH2+]CC2)CC1 306953110 345716169 /nfs/dbraw/zinc/71/61/69/345716169.db2.gz HTUWBNZZMLTKHL-UHFFFAOYSA-N 2 2 172.247 0.784 10 0 ACAELP FC1(C[N@H+]2CCC[NH2+]CC2)CC1 306953110 345716172 /nfs/dbraw/zinc/71/61/72/345716172.db2.gz HTUWBNZZMLTKHL-UHFFFAOYSA-N 2 2 172.247 0.784 10 0 ACAELP [NH3+]CC1C[NH+](C/C=C/Cl)C1 306955946 345717612 /nfs/dbraw/zinc/71/76/12/345717612.db2.gz BWABZRPRBKIWQK-OWOJBTEDSA-N 2 2 160.648 0.629 10 0 ACAELP C[C@H]([NH3+])C[N@@H+]1CCCOC[C@H]1C 306957115 345718357 /nfs/dbraw/zinc/71/83/57/345718357.db2.gz SNYIKDGBXZQEHK-DTWKUNHWSA-N 2 2 172.272 0.444 10 0 ACAELP C[C@H]([NH3+])C[N@H+]1CCCOC[C@H]1C 306957115 345718361 /nfs/dbraw/zinc/71/83/61/345718361.db2.gz SNYIKDGBXZQEHK-DTWKUNHWSA-N 2 2 172.272 0.444 10 0 ACAELP C[N@H+](C1CC(O)C1)[C@@H]1CCC[NH2+]C1 306960432 345720153 /nfs/dbraw/zinc/72/01/53/345720153.db2.gz ZCESSTVFAMMNBK-XNWIYYODSA-N 2 2 184.283 0.194 10 0 ACAELP C[N@@H+](C1CC(O)C1)[C@@H]1CCC[NH2+]C1 306960432 345720156 /nfs/dbraw/zinc/72/01/56/345720156.db2.gz ZCESSTVFAMMNBK-XNWIYYODSA-N 2 2 184.283 0.194 10 0 ACAELP 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0.831 10 0 ACAELP CCC[N@@H+]1CCOC[C@@H]([NH3+])C1 307060415 345785539 /nfs/dbraw/zinc/78/55/39/345785539.db2.gz NMZVLHGZLZLANA-QMMMGPOBSA-N 2 2 158.245 0.056 10 0 ACAELP CCC[N@H+]1CCOC[C@@H]([NH3+])C1 307060415 345785543 /nfs/dbraw/zinc/78/55/43/345785543.db2.gz NMZVLHGZLZLANA-QMMMGPOBSA-N 2 2 158.245 0.056 10 0 ACAELP Cc1[nH+]cc([C@](C)(O)[C@H](C)[NH3+])n1C 307060747 345786044 /nfs/dbraw/zinc/78/60/44/345786044.db2.gz DQEFFIGJNDWXCA-IMTBSYHQSA-N 2 2 183.255 0.283 10 0 ACAELP Cc1[nH+]cc([C@@](C)(O)[C@H](C)[NH3+])n1C 307060749 345786052 /nfs/dbraw/zinc/78/60/52/345786052.db2.gz DQEFFIGJNDWXCA-RCOVLWMOSA-N 2 2 183.255 0.283 10 0 ACAELP Cc1[nH+]cc([C@](C)(O)[C@@H](C)[NH3+])n1C 307060746 345786421 /nfs/dbraw/zinc/78/64/21/345786421.db2.gz DQEFFIGJNDWXCA-HZGVNTEJSA-N 2 2 183.255 0.283 10 0 ACAELP Cc1[nH+]cc([C@@](C)(O)[C@@H](C)[NH3+])n1C 307060748 345786547 /nfs/dbraw/zinc/78/65/47/345786547.db2.gz DQEFFIGJNDWXCA-MUWHJKNJSA-N 2 2 183.255 0.283 10 0 ACAELP C[C@@H]1[C@@H]([NH3+])CCN1Cc1[nH]cc[nH+]1 307062160 345786972 /nfs/dbraw/zinc/78/69/72/345786972.db2.gz FWLHHJUDKITAEH-SFYZADRCSA-N 2 2 180.255 0.331 10 0 ACAELP C[C@@H]1[C@H]([NH3+])CCN1Cc1[nH]cc[nH+]1 307062158 345786989 /nfs/dbraw/zinc/78/69/89/345786989.db2.gz FWLHHJUDKITAEH-HTQZYQBOSA-N 2 2 180.255 0.331 10 0 ACAELP C[C@H]1[C@@H]([NH3+])CCN1Cc1[nH]cc[nH+]1 307062161 345787153 /nfs/dbraw/zinc/78/71/53/345787153.db2.gz FWLHHJUDKITAEH-YUMQZZPRSA-N 2 2 180.255 0.331 10 0 ACAELP C[C@H]1[C@H]([NH3+])CCN1Cc1[nH]cc[nH+]1 307062159 345787168 /nfs/dbraw/zinc/78/71/68/345787168.db2.gz FWLHHJUDKITAEH-JGVFFNPUSA-N 2 2 180.255 0.331 10 0 ACAELP [NH3+]CC1([NH2+]C2CC2)CSC1 307062814 345787612 /nfs/dbraw/zinc/78/76/12/345787612.db2.gz ONUUDQUMYCXHIT-UHFFFAOYSA-N 2 2 158.270 0.183 10 0 ACAELP C[C@H]1COCCC[N@H+]1C[C@@H](C)[NH3+] 307065847 345789625 /nfs/dbraw/zinc/78/96/25/345789625.db2.gz SNYIKDGBXZQEHK-BDAKNGLRSA-N 2 2 172.272 0.444 10 0 ACAELP C[C@H]1COCCC[N@@H+]1C[C@@H](C)[NH3+] 307065847 345789629 /nfs/dbraw/zinc/78/96/29/345789629.db2.gz SNYIKDGBXZQEHK-BDAKNGLRSA-N 2 2 172.272 0.444 10 0 ACAELP COCc1c[nH+]cn1C1C[NH2+]C1 307066422 345789631 /nfs/dbraw/zinc/78/96/31/345789631.db2.gz VXHPZTUZNNHGLR-UHFFFAOYSA-N 2 2 167.212 0.174 10 0 ACAELP C[C@@H]([NH3+])C[N@@H+]1CCCOC[C@H]1C 307065848 345789772 /nfs/dbraw/zinc/78/97/72/345789772.db2.gz SNYIKDGBXZQEHK-RKDXNWHRSA-N 2 2 172.272 0.444 10 0 ACAELP C[C@@H]([NH3+])C[N@H+]1CCCOC[C@H]1C 307065848 345789773 /nfs/dbraw/zinc/78/97/73/345789773.db2.gz SNYIKDGBXZQEHK-RKDXNWHRSA-N 2 2 172.272 0.444 10 0 ACAELP COC1C[NH+](C[C@@]2(C)CC[NH2+]C2)C1 307068262 345791017 /nfs/dbraw/zinc/79/10/17/345791017.db2.gz MFTGPUUBOSKTBE-JTQLQIEISA-N 2 2 184.283 0.317 10 0 ACAELP COC1C[NH+](C[C@]2(C)CC[NH2+]C2)C1 307068263 345791226 /nfs/dbraw/zinc/79/12/26/345791226.db2.gz MFTGPUUBOSKTBE-SNVBAGLBSA-N 2 2 184.283 0.317 10 0 ACAELP CCn1cc[nH+]c1/C=C/C[NH3+] 307080216 345798243 /nfs/dbraw/zinc/79/82/43/345798243.db2.gz ODRREIPJDOEFOA-ONEGZZNKSA-N 2 2 151.213 0.875 10 0 ACAELP CC1C[NH+]([C@H]2C[NH2+][C@@H](C)C2)C1 307081616 345799589 /nfs/dbraw/zinc/79/95/89/345799589.db2.gz HFVDFCYRJYAOMX-DTWKUNHWSA-N 2 2 154.257 0.689 10 0 ACAELP CC1C[NH+]([C@@H]2C[NH2+][C@@H](C)C2)C1 307081617 345799597 /nfs/dbraw/zinc/79/95/97/345799597.db2.gz HFVDFCYRJYAOMX-IUCAKERBSA-N 2 2 154.257 0.689 10 0 ACAELP CC1C[NH+]([C@@H]2C[NH2+][C@H](C)C2)C1 307081615 345799604 /nfs/dbraw/zinc/79/96/04/345799604.db2.gz HFVDFCYRJYAOMX-BDAKNGLRSA-N 2 2 154.257 0.689 10 0 ACAELP CC1C[NH+]([C@H]2C[NH2+][C@H](C)C2)C1 307081618 345799660 /nfs/dbraw/zinc/79/96/60/345799660.db2.gz HFVDFCYRJYAOMX-RKDXNWHRSA-N 2 2 154.257 0.689 10 0 ACAELP C[C@H]1COCCC[N@@H+]1C1(C[NH3+])CC1 307092573 345805955 /nfs/dbraw/zinc/80/59/55/345805955.db2.gz SDAYUDRSXDNURF-VIFPVBQESA-N 2 2 184.283 0.589 10 0 ACAELP C[C@H]1COCCC[N@H+]1C1(C[NH3+])CC1 307092573 345805956 /nfs/dbraw/zinc/80/59/56/345805956.db2.gz SDAYUDRSXDNURF-VIFPVBQESA-N 2 2 184.283 0.589 10 0 ACAELP C[C@@H]1CC[N@@H+](C2CSC2)C[C@H]1[NH3+] 307099065 345808911 /nfs/dbraw/zinc/80/89/11/345808911.db2.gz WOBXAVWYNXGVTL-VXNVDRBHSA-N 2 2 186.324 0.771 10 0 ACAELP C[C@@H]1CC[N@H+](C2CSC2)C[C@H]1[NH3+] 307099065 345808914 /nfs/dbraw/zinc/80/89/14/345808914.db2.gz WOBXAVWYNXGVTL-VXNVDRBHSA-N 2 2 186.324 0.771 10 0 ACAELP C[C@H]1CC[N@@H+](C2CSC2)C[C@H]1[NH3+] 307099064 345809145 /nfs/dbraw/zinc/80/91/45/345809145.db2.gz WOBXAVWYNXGVTL-IONNQARKSA-N 2 2 186.324 0.771 10 0 ACAELP C[C@H]1CC[N@H+](C2CSC2)C[C@H]1[NH3+] 307099064 345809148 /nfs/dbraw/zinc/80/91/48/345809148.db2.gz WOBXAVWYNXGVTL-IONNQARKSA-N 2 2 186.324 0.771 10 0 ACAELP C[C@H]1CC[N@@H+](C2CSC2)C[C@@H]1[NH3+] 307099063 345809216 /nfs/dbraw/zinc/80/92/16/345809216.db2.gz WOBXAVWYNXGVTL-CBAPKCEASA-N 2 2 186.324 0.771 10 0 ACAELP C[C@H]1CC[N@H+](C2CSC2)C[C@@H]1[NH3+] 307099063 345809219 /nfs/dbraw/zinc/80/92/19/345809219.db2.gz WOBXAVWYNXGVTL-CBAPKCEASA-N 2 2 186.324 0.771 10 0 ACAELP C[C@@H]1CC[N@@H+](C2CSC2)C[C@@H]1[NH3+] 307099062 345809293 /nfs/dbraw/zinc/80/92/93/345809293.db2.gz WOBXAVWYNXGVTL-APPZFPTMSA-N 2 2 186.324 0.771 10 0 ACAELP C[C@@H]1CC[N@H+](C2CSC2)C[C@@H]1[NH3+] 307099062 345809295 /nfs/dbraw/zinc/80/92/95/345809295.db2.gz WOBXAVWYNXGVTL-APPZFPTMSA-N 2 2 186.324 0.771 10 0 ACAELP Cc1[nH+]ccn1Cc1c[nH]c[nH+]1 307100784 345809617 /nfs/dbraw/zinc/80/96/17/345809617.db2.gz UADJXSHTLCUGDE-UHFFFAOYSA-N 2 2 162.196 0.963 10 0 ACAELP C[C@@H]1CC[C@@H](NC2C[NH+](C)C2)C[NH2+]1 307102880 345810575 /nfs/dbraw/zinc/81/05/75/345810575.db2.gz ZXFUXLRENYSUKY-RKDXNWHRSA-N 2 2 183.299 0.031 10 0 ACAELP C[C@H]1CC[C@H](NC2C[NH+](C)C2)C[NH2+]1 307102879 345810602 /nfs/dbraw/zinc/81/06/02/345810602.db2.gz ZXFUXLRENYSUKY-IUCAKERBSA-N 2 2 183.299 0.031 10 0 ACAELP C[C@@H]1CC[C@H](NC2C[NH+](C)C2)C[NH2+]1 307102877 345810920 /nfs/dbraw/zinc/81/09/20/345810920.db2.gz ZXFUXLRENYSUKY-BDAKNGLRSA-N 2 2 183.299 0.031 10 0 ACAELP C[C@H]1CC[C@@H](NC2C[NH+](C)C2)C[NH2+]1 307102878 345811089 /nfs/dbraw/zinc/81/10/89/345811089.db2.gz ZXFUXLRENYSUKY-DTWKUNHWSA-N 2 2 183.299 0.031 10 0 ACAELP C1=CC[NH+](C[C@H]2CC[NH2+]2)C1 307111301 345816112 /nfs/dbraw/zinc/81/61/12/345816112.db2.gz NMHGJPNOIUECPD-MRVPVSSYSA-N 2 2 138.214 0.220 10 0 ACAELP C1=CC[NH+](C[C@@H]2CC[NH2+]2)C1 307111302 345816215 /nfs/dbraw/zinc/81/62/15/345816215.db2.gz NMHGJPNOIUECPD-QMMMGPOBSA-N 2 2 138.214 0.220 10 0 ACAELP C[C@H]1[NH2+]CCC[C@]12[NH2+]CCS2 307115552 345818334 /nfs/dbraw/zinc/81/83/34/345818334.db2.gz DDCNBJWUGWFHSM-HTQZYQBOSA-N 2 2 172.297 0.791 10 0 ACAELP C[C@@H]1[NH2+]CCC[C@@]12[NH2+]CCS2 307115555 345818480 /nfs/dbraw/zinc/81/84/80/345818480.db2.gz DDCNBJWUGWFHSM-YUMQZZPRSA-N 2 2 172.297 0.791 10 0 ACAELP C[C@H]1[NH2+]CCC[C@@]12[NH2+]CCS2 307115554 345818577 /nfs/dbraw/zinc/81/85/77/345818577.db2.gz DDCNBJWUGWFHSM-SFYZADRCSA-N 2 2 172.297 0.791 10 0 ACAELP C[C@@H]1[NH2+]CCC[C@]12[NH2+]CCS2 307115553 345818723 /nfs/dbraw/zinc/81/87/23/345818723.db2.gz DDCNBJWUGWFHSM-JGVFFNPUSA-N 2 2 172.297 0.791 10 0 ACAELP C[C@@H](O)C[N@H+](C)[C@@H]1C[NH+]2CCC1CC2 307117737 345819762 /nfs/dbraw/zinc/81/97/62/345819762.db2.gz VDJQNPPOBDXJPS-MWLCHTKSSA-N 2 2 198.310 0.393 10 0 ACAELP C[C@@H](O)C[N@@H+](C)[C@@H]1C[NH+]2CCC1CC2 307117737 345819766 /nfs/dbraw/zinc/81/97/66/345819766.db2.gz VDJQNPPOBDXJPS-MWLCHTKSSA-N 2 2 198.310 0.393 10 0 ACAELP C[C@@H](O)C[N@H+](C)[C@H]1C[NH+]2CCC1CC2 307117736 345819777 /nfs/dbraw/zinc/81/97/77/345819777.db2.gz VDJQNPPOBDXJPS-KOLCDFICSA-N 2 2 198.310 0.393 10 0 ACAELP C[C@@H](O)C[N@@H+](C)[C@H]1C[NH+]2CCC1CC2 307117736 345819781 /nfs/dbraw/zinc/81/97/81/345819781.db2.gz VDJQNPPOBDXJPS-KOLCDFICSA-N 2 2 198.310 0.393 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCCOC[C@H]1C 307121883 345821416 /nfs/dbraw/zinc/82/14/16/345821416.db2.gz KJVCMPVJPMSTJK-SFYZADRCSA-N 2 2 185.271 0.422 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCCOC[C@H]1C 307121883 345821418 /nfs/dbraw/zinc/82/14/18/345821418.db2.gz KJVCMPVJPMSTJK-SFYZADRCSA-N 2 2 185.271 0.422 10 0 ACAELP 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307122691 345822069 /nfs/dbraw/zinc/82/20/69/345822069.db2.gz MHGNMSAXWYOOCN-JGVFFNPUSA-N 2 2 160.236 0.686 10 0 ACAELP C[C@H]1CC[C@H]([NH2+]CCF)C[NH2+]1 307122693 345822147 /nfs/dbraw/zinc/82/21/47/345822147.db2.gz MHGNMSAXWYOOCN-YUMQZZPRSA-N 2 2 160.236 0.686 10 0 ACAELP C[C@@H]1CC[C@H]([NH2+]CCF)C[NH2+]1 307122692 345822250 /nfs/dbraw/zinc/82/22/50/345822250.db2.gz MHGNMSAXWYOOCN-SFYZADRCSA-N 2 2 160.236 0.686 10 0 ACAELP C[C@@H]1CC[C@@H]([NH2+]CCF)C[NH2+]1 307122690 345822289 /nfs/dbraw/zinc/82/22/89/345822289.db2.gz MHGNMSAXWYOOCN-HTQZYQBOSA-N 2 2 160.236 0.686 10 0 ACAELP CC(C)[N@H+](C)C1(C[NH3+])CSC1 307123306 345822647 /nfs/dbraw/zinc/82/26/47/345822647.db2.gz OAMVGDFOKIJIIY-UHFFFAOYSA-N 2 2 174.313 0.771 10 0 ACAELP CC(C)[N@@H+](C)C1(C[NH3+])CSC1 307123306 345822651 /nfs/dbraw/zinc/82/26/51/345822651.db2.gz OAMVGDFOKIJIIY-UHFFFAOYSA-N 2 2 174.313 0.771 10 0 ACAELP C[C@H]1CC[C@H]([NH2+]C2CC(O)C2)C[NH2+]1 307127693 345825445 /nfs/dbraw/zinc/82/54/45/345825445.db2.gz 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0.317 10 0 ACAELP C[C@@H]1COCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 307341384 345982127 /nfs/dbraw/zinc/98/21/27/345982127.db2.gz JQVWXEGIEOAIKC-VHSXEESVSA-N 2 2 184.283 0.317 10 0 ACAELP C[C@@H]1COCC[N@H+]([C@@H]2CC[NH2+]C2)C1 307341384 345982130 /nfs/dbraw/zinc/98/21/30/345982130.db2.gz JQVWXEGIEOAIKC-VHSXEESVSA-N 2 2 184.283 0.317 10 0 ACAELP C[C@H]1COCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 307341381 345982176 /nfs/dbraw/zinc/98/21/76/345982176.db2.gz JQVWXEGIEOAIKC-NXEZZACHSA-N 2 2 184.283 0.317 10 0 ACAELP C[C@H]1COCC[N@H+]([C@@H]2CC[NH2+]C2)C1 307341381 345982179 /nfs/dbraw/zinc/98/21/79/345982179.db2.gz JQVWXEGIEOAIKC-NXEZZACHSA-N 2 2 184.283 0.317 10 0 ACAELP C[C@@H]1COCC[N@@H+]([C@H]2CC[NH2+]C2)C1 307341383 345982327 /nfs/dbraw/zinc/98/23/27/345982327.db2.gz JQVWXEGIEOAIKC-UWVGGRQHSA-N 2 2 184.283 0.317 10 0 ACAELP C[C@@H]1COCC[N@H+]([C@H]2CC[NH2+]C2)C1 307341383 345982330 /nfs/dbraw/zinc/98/23/30/345982330.db2.gz JQVWXEGIEOAIKC-UWVGGRQHSA-N 2 2 184.283 0.317 10 0 ACAELP C/C=C/C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 307346107 345985000 /nfs/dbraw/zinc/98/50/00/345985000.db2.gz WLNTZNOHUGPZNV-NBYFHADBSA-N 2 2 166.268 0.856 10 0 ACAELP C/C=C/C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 307346107 345985001 /nfs/dbraw/zinc/98/50/01/345985001.db2.gz WLNTZNOHUGPZNV-NBYFHADBSA-N 2 2 166.268 0.856 10 0 ACAELP C[C@H]([NH3+])C[N@@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 307349510 345987029 /nfs/dbraw/zinc/98/70/29/345987029.db2.gz OWSOMAAAVAPZKI-QEYWKRMJSA-N 3 2 183.299 0.288 10 0 ACAELP C[C@H]([NH3+])C[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 307349510 345987033 /nfs/dbraw/zinc/98/70/33/345987033.db2.gz OWSOMAAAVAPZKI-QEYWKRMJSA-N 3 2 183.299 0.288 10 0 ACAELP C[C@@H]([NH3+])C[N@@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 307349508 345987043 /nfs/dbraw/zinc/98/70/43/345987043.db2.gz OWSOMAAAVAPZKI-DOLQZWNJSA-N 3 2 183.299 0.288 10 0 ACAELP C[C@@H]([NH3+])C[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 307349508 345987047 /nfs/dbraw/zinc/98/70/47/345987047.db2.gz OWSOMAAAVAPZKI-DOLQZWNJSA-N 3 2 183.299 0.288 10 0 ACAELP C[C@@H]([NH3+])C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 307349509 345987176 /nfs/dbraw/zinc/98/71/76/345987176.db2.gz OWSOMAAAVAPZKI-KYXWUPHJSA-N 3 2 183.299 0.288 10 0 ACAELP C[C@@H]([NH3+])C[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 307349509 345987180 /nfs/dbraw/zinc/98/71/80/345987180.db2.gz OWSOMAAAVAPZKI-KYXWUPHJSA-N 3 2 183.299 0.288 10 0 ACAELP C[C@H]([NH3+])C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 307349507 345987261 /nfs/dbraw/zinc/98/72/61/345987261.db2.gz OWSOMAAAVAPZKI-AATLWQCWSA-N 3 2 183.299 0.288 10 0 ACAELP C[C@H]([NH3+])C[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 307349507 345987263 /nfs/dbraw/zinc/98/72/63/345987263.db2.gz OWSOMAAAVAPZKI-AATLWQCWSA-N 3 2 183.299 0.288 10 0 ACAELP C[C@@H]1CC[C@H](O)C[N@@H+]1[C@H]1CC[NH2+]C1 307350717 345987529 /nfs/dbraw/zinc/98/75/29/345987529.db2.gz SXYMMDRWFDDBDG-UTLUCORTSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1CC[C@H](O)C[N@H+]1[C@H]1CC[NH2+]C1 307350717 345987532 /nfs/dbraw/zinc/98/75/32/345987532.db2.gz SXYMMDRWFDDBDG-UTLUCORTSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1CC[C@H](O)C[N@@H+]1[C@@H]1CC[NH2+]C1 307350201 345987542 /nfs/dbraw/zinc/98/75/42/345987542.db2.gz SXYMMDRWFDDBDG-BBBLOLIVSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1CC[C@H](O)C[N@H+]1[C@@H]1CC[NH2+]C1 307350201 345987545 /nfs/dbraw/zinc/98/75/45/345987545.db2.gz SXYMMDRWFDDBDG-BBBLOLIVSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1CC[C@@H](O)C[N@@H+]1[C@@H]1CC[NH2+]C1 307350205 345987550 /nfs/dbraw/zinc/98/75/50/345987550.db2.gz SXYMMDRWFDDBDG-OPRDCNLKSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1CC[C@@H](O)C[N@H+]1[C@@H]1CC[NH2+]C1 307350205 345987553 /nfs/dbraw/zinc/98/75/53/345987553.db2.gz SXYMMDRWFDDBDG-OPRDCNLKSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1CC[C@@H](O)C[N@H+]1[C@H]1CC[NH2+]C1 307350203 345987672 /nfs/dbraw/zinc/98/76/72/345987672.db2.gz SXYMMDRWFDDBDG-KXUCPTDWSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1CC[C@@H](O)C[N@@H+]1[C@H]1CC[NH2+]C1 307350203 345987669 /nfs/dbraw/zinc/98/76/69/345987669.db2.gz SXYMMDRWFDDBDG-KXUCPTDWSA-N 2 2 184.283 0.194 10 0 ACAELP CN(C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 307354603 345990205 /nfs/dbraw/zinc/99/02/05/345990205.db2.gz XKDMFSPCNOHBLI-KXUCPTDWSA-N 2 2 183.299 0.441 10 0 ACAELP CN(C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 307354602 345990214 /nfs/dbraw/zinc/99/02/14/345990214.db2.gz XKDMFSPCNOHBLI-IVZWLZJFSA-N 2 2 183.299 0.441 10 0 ACAELP CN(C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 307354604 345990523 /nfs/dbraw/zinc/99/05/23/345990523.db2.gz XKDMFSPCNOHBLI-LPEHRKFASA-N 2 2 183.299 0.441 10 0 ACAELP CN(C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 307354605 345990534 /nfs/dbraw/zinc/99/05/34/345990534.db2.gz XKDMFSPCNOHBLI-OPRDCNLKSA-N 2 2 183.299 0.441 10 0 ACAELP CC1(C)C[C@H]([N@@H+]2CC[C@H]([NH3+])C2)CO1 307361913 345994909 /nfs/dbraw/zinc/99/49/09/345994909.db2.gz HXWTYCCTWFHHIF-IUCAKERBSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)C[C@H]([N@H+]2CC[C@H]([NH3+])C2)CO1 307361913 345994910 /nfs/dbraw/zinc/99/49/10/345994910.db2.gz HXWTYCCTWFHHIF-IUCAKERBSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)C[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)CO1 307361904 345994936 /nfs/dbraw/zinc/99/49/36/345994936.db2.gz HXWTYCCTWFHHIF-DTWKUNHWSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)C[C@@H]([N@H+]2CC[C@H]([NH3+])C2)CO1 307361904 345994937 /nfs/dbraw/zinc/99/49/37/345994937.db2.gz HXWTYCCTWFHHIF-DTWKUNHWSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)C[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)CO1 307361898 345995067 /nfs/dbraw/zinc/99/50/67/345995067.db2.gz HXWTYCCTWFHHIF-BDAKNGLRSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)C[C@H]([N@H+]2CC[C@@H]([NH3+])C2)CO1 307361898 345995070 /nfs/dbraw/zinc/99/50/70/345995070.db2.gz HXWTYCCTWFHHIF-BDAKNGLRSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)C[C@@H]([N@@H+]2CC[C@@H]([NH3+])C2)CO1 307361921 345995113 /nfs/dbraw/zinc/99/51/13/345995113.db2.gz HXWTYCCTWFHHIF-RKDXNWHRSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)C[C@@H]([N@H+]2CC[C@@H]([NH3+])C2)CO1 307361921 345995115 /nfs/dbraw/zinc/99/51/15/345995115.db2.gz HXWTYCCTWFHHIF-RKDXNWHRSA-N 2 2 184.283 0.587 10 0 ACAELP [NH3+]Cc1cc(N2CC=CC2)cc[nH+]1 307363507 345995543 /nfs/dbraw/zinc/99/55/43/345995543.db2.gz HQHRFDDNAFZNDG-UHFFFAOYSA-N 2 2 175.235 0.917 10 0 ACAELP C[C@@H]1[C@H](O)CCC[N@@H+]1[C@H]1CC[NH2+]C1 307364648 345996797 /nfs/dbraw/zinc/99/67/97/345996797.db2.gz IVBIZLSLVGHNRJ-KXUCPTDWSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1[C@H](O)CCC[N@H+]1[C@H]1CC[NH2+]C1 307364648 345996800 /nfs/dbraw/zinc/99/68/00/345996800.db2.gz IVBIZLSLVGHNRJ-KXUCPTDWSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1[C@@H](O)CCC[N@@H+]1[C@H]1CC[NH2+]C1 307364918 345996942 /nfs/dbraw/zinc/99/69/42/345996942.db2.gz IVBIZLSLVGHNRJ-UTLUCORTSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1[C@@H](O)CCC[N@H+]1[C@H]1CC[NH2+]C1 307364918 345996944 /nfs/dbraw/zinc/99/69/44/345996944.db2.gz IVBIZLSLVGHNRJ-UTLUCORTSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1[C@H](O)CCC[N@@H+]1[C@@H]1CC[NH2+]C1 307364916 345996975 /nfs/dbraw/zinc/99/69/75/345996975.db2.gz IVBIZLSLVGHNRJ-OPRDCNLKSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1[C@H](O)CCC[N@H+]1[C@@H]1CC[NH2+]C1 307364916 345996977 /nfs/dbraw/zinc/99/69/77/345996977.db2.gz IVBIZLSLVGHNRJ-OPRDCNLKSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1[C@@H](O)CCC[N@@H+]1[C@@H]1CC[NH2+]C1 307364647 345997002 /nfs/dbraw/zinc/99/70/02/345997002.db2.gz IVBIZLSLVGHNRJ-BBBLOLIVSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1[C@@H](O)CCC[N@H+]1[C@@H]1CC[NH2+]C1 307364647 345997004 /nfs/dbraw/zinc/99/70/04/345997004.db2.gz IVBIZLSLVGHNRJ-BBBLOLIVSA-N 2 2 184.283 0.194 10 0 ACAELP C[NH+](C)C[C@@H]([NH3+])C1=COCC1 307369622 345999577 /nfs/dbraw/zinc/99/95/77/345999577.db2.gz ACLSKLQYEGYBNV-MRVPVSSYSA-N 2 2 156.229 0.180 10 0 ACAELP C[NH+](C)C[C@H]([NH3+])C1=COCC1 307369623 345999611 /nfs/dbraw/zinc/99/96/11/345999611.db2.gz ACLSKLQYEGYBNV-QMMMGPOBSA-N 2 2 156.229 0.180 10 0 ACAELP C[C@@H]1[C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C[C@H]1C 307371826 346001312 /nfs/dbraw/zinc/00/13/12/346001312.db2.gz UKKWIWBOGWJEAL-RCWTZXSCSA-N 2 2 198.310 0.609 10 0 ACAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)[C@@H]1C 307371825 346001391 /nfs/dbraw/zinc/00/13/91/346001391.db2.gz UKKWIWBOGWJEAL-DBIOUOCHSA-N 2 2 198.310 0.609 10 0 ACAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@@H]1C 307371828 346001481 /nfs/dbraw/zinc/00/14/81/346001481.db2.gz UKKWIWBOGWJEAL-ZNSHCXBVSA-N 2 2 198.310 0.609 10 0 ACAELP C[C@@H]1[C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)C[C@H]1C 307371827 346001511 /nfs/dbraw/zinc/00/15/11/346001511.db2.gz UKKWIWBOGWJEAL-YTWAJWBKSA-N 2 2 198.310 0.609 10 0 ACAELP C/C(=C/C[NH3+])c1[nH+]ccn1C 307381268 346006496 /nfs/dbraw/zinc/00/64/96/346006496.db2.gz GNBVHDWDFRUDPH-CLTKARDFSA-N 2 2 151.213 0.782 10 0 ACAELP CO[C@@]1(C)CC[N@H+](CC[NH3+])C1 307384437 346007888 /nfs/dbraw/zinc/00/78/88/346007888.db2.gz JPXOXRMIQCYFPQ-QMMMGPOBSA-N 2 2 158.245 0.056 10 0 ACAELP CO[C@@]1(C)CC[N@@H+](CC[NH3+])C1 307384437 346007890 /nfs/dbraw/zinc/00/78/90/346007890.db2.gz JPXOXRMIQCYFPQ-QMMMGPOBSA-N 2 2 158.245 0.056 10 0 ACAELP C[C@@H]1C[NH2+]C[C@@H]1c1[nH+]ccn1C 307383927 346007936 /nfs/dbraw/zinc/00/79/36/346007936.db2.gz FGXKIMJCOIEOHD-SFYZADRCSA-N 2 2 165.240 0.743 10 0 ACAELP CO[C@]1(C)CC[N@H+](CC[NH3+])C1 307384436 346007984 /nfs/dbraw/zinc/00/79/84/346007984.db2.gz JPXOXRMIQCYFPQ-MRVPVSSYSA-N 2 2 158.245 0.056 10 0 ACAELP CO[C@]1(C)CC[N@@H+](CC[NH3+])C1 307384436 346007985 /nfs/dbraw/zinc/00/79/85/346007985.db2.gz JPXOXRMIQCYFPQ-MRVPVSSYSA-N 2 2 158.245 0.056 10 0 ACAELP C[C@H]1C[NH2+]C[C@H]1c1[nH+]ccn1C 307383926 346008056 /nfs/dbraw/zinc/00/80/56/346008056.db2.gz FGXKIMJCOIEOHD-JGVFFNPUSA-N 2 2 165.240 0.743 10 0 ACAELP C[C@H]1C[NH2+]C[C@@H]1c1[nH+]ccn1C 307383928 346008087 /nfs/dbraw/zinc/00/80/87/346008087.db2.gz FGXKIMJCOIEOHD-YUMQZZPRSA-N 2 2 165.240 0.743 10 0 ACAELP C[C@@H]1C[NH2+]C[C@H]1c1[nH+]ccn1C 307383925 346008090 /nfs/dbraw/zinc/00/80/90/346008090.db2.gz FGXKIMJCOIEOHD-HTQZYQBOSA-N 2 2 165.240 0.743 10 0 ACAELP [NH3+]CC1([N@@H+]2CCC3(CC3)C2)CSC1 307384633 346008513 /nfs/dbraw/zinc/00/85/13/346008513.db2.gz GWLYXQOMVUKFEV-UHFFFAOYSA-N 2 2 198.335 0.917 10 0 ACAELP [NH3+]CC1([N@H+]2CCC3(CC3)C2)CSC1 307384633 346008514 /nfs/dbraw/zinc/00/85/14/346008514.db2.gz GWLYXQOMVUKFEV-UHFFFAOYSA-N 2 2 198.335 0.917 10 0 ACAELP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC2)C[NH2+]1 307385763 346008922 /nfs/dbraw/zinc/00/89/22/346008922.db2.gz JAAJWBFDXCIONN-KXUCPTDWSA-N 2 2 184.283 0.505 10 0 ACAELP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCOC2)C[NH2+]1 307385765 346008987 /nfs/dbraw/zinc/00/89/87/346008987.db2.gz JAAJWBFDXCIONN-OPRDCNLKSA-N 2 2 184.283 0.505 10 0 ACAELP C[C@@H](C(N)=[NH2+])[N@H+]1C[C@H]2C[C@H]2C1 307386837 346009460 /nfs/dbraw/zinc/00/94/60/346009460.db2.gz MAQSZRFFSDTKLT-LYFYHCNISA-N 2 2 153.229 0.263 10 0 ACAELP C[C@H](C(N)=[NH2+])[N@H+]1C[C@H]2C[C@H]2C1 307386838 346009516 /nfs/dbraw/zinc/00/95/16/346009516.db2.gz MAQSZRFFSDTKLT-QYNIQEEDSA-N 2 2 153.229 0.263 10 0 ACAELP C[C@@H]1C[C@@H]([N@@H+]2CCCOCC2)C[NH2+]1 307391717 346012214 /nfs/dbraw/zinc/01/22/14/346012214.db2.gz WXTHAZYDKJEMQQ-NXEZZACHSA-N 2 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/nfs/dbraw/zinc/68/34/07/346683407.db2.gz BCAMHYQTPCECKV-IUCAKERBSA-N 2 2 172.272 0.038 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@@]2(CCCCO2)C1 409425404 346683421 /nfs/dbraw/zinc/68/34/21/346683421.db2.gz FRMVBFSWAHZMGO-JTQLQIEISA-N 2 2 184.283 0.590 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@@]2(CCCCO2)C1 409425404 346683425 /nfs/dbraw/zinc/68/34/25/346683425.db2.gz FRMVBFSWAHZMGO-JTQLQIEISA-N 2 2 184.283 0.590 10 0 ACAELP [NH3+]CC[N@@H+]1C[C@H]2CCC(F)(F)[C@@H]2C1 409426819 346684640 /nfs/dbraw/zinc/68/46/40/346684640.db2.gz ITYWUDVVIRXPHM-HTQZYQBOSA-N 2 2 190.237 0.922 10 0 ACAELP [NH3+]CC[N@H+]1C[C@H]2CCC(F)(F)[C@@H]2C1 409426819 346684642 /nfs/dbraw/zinc/68/46/42/346684642.db2.gz ITYWUDVVIRXPHM-HTQZYQBOSA-N 2 2 190.237 0.922 10 0 ACAELP [NH3+]CC[N@H+]1C[C@@H]2[C@@H](CCC2(F)F)C1 409426826 346684946 /nfs/dbraw/zinc/68/49/46/346684946.db2.gz ITYWUDVVIRXPHM-JGVFFNPUSA-N 2 2 190.237 0.922 10 0 ACAELP [NH3+]CC[N@@H+]1C[C@@H]2[C@@H](CCC2(F)F)C1 409426826 346684948 /nfs/dbraw/zinc/68/49/48/346684948.db2.gz ITYWUDVVIRXPHM-JGVFFNPUSA-N 2 2 190.237 0.922 10 0 ACAELP [NH3+]CC[N@@H+]1C[C@H]2CCC(F)(F)[C@H]2C1 409426827 346685094 /nfs/dbraw/zinc/68/50/94/346685094.db2.gz ITYWUDVVIRXPHM-SFYZADRCSA-N 2 2 190.237 0.922 10 0 ACAELP [NH3+]CC[N@H+]1C[C@H]2CCC(F)(F)[C@H]2C1 409426827 346685100 /nfs/dbraw/zinc/68/51/00/346685100.db2.gz ITYWUDVVIRXPHM-SFYZADRCSA-N 2 2 190.237 0.922 10 0 ACAELP [NH3+]CC[N@@H+]1C[C@@H]2CCC(F)(F)[C@H]2C1 409426829 346685147 /nfs/dbraw/zinc/68/51/47/346685147.db2.gz ITYWUDVVIRXPHM-YUMQZZPRSA-N 2 2 190.237 0.922 10 0 ACAELP [NH3+]CC[N@H+]1C[C@@H]2CCC(F)(F)[C@H]2C1 409426829 346685152 /nfs/dbraw/zinc/68/51/52/346685152.db2.gz ITYWUDVVIRXPHM-YUMQZZPRSA-N 2 2 190.237 0.922 10 0 ACAELP [NH3+]CC[NH+]1CCC(CF)CC1 409427967 346686159 /nfs/dbraw/zinc/68/61/59/346686159.db2.gz LHMRNCYZDVUKHD-UHFFFAOYSA-N 2 2 160.236 0.627 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@@H](C(F)F)C1 409427836 346686219 /nfs/dbraw/zinc/68/62/19/346686219.db2.gz KYYNHWJZQJAOKV-ZCFIWIBFSA-N 2 2 164.199 0.532 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@@H](C(F)F)C1 409427836 346686222 /nfs/dbraw/zinc/68/62/22/346686222.db2.gz KYYNHWJZQJAOKV-ZCFIWIBFSA-N 2 2 164.199 0.532 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@H](C(F)F)C1 409427828 346686531 /nfs/dbraw/zinc/68/65/31/346686531.db2.gz KYYNHWJZQJAOKV-LURJTMIESA-N 2 2 164.199 0.532 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@H](C(F)F)C1 409427828 346686535 /nfs/dbraw/zinc/68/65/35/346686535.db2.gz KYYNHWJZQJAOKV-LURJTMIESA-N 2 2 164.199 0.532 10 0 ACAELP CCC[C@@H]1C[N@H+](CC[NH3+])CC[C@@H]1O 409428365 346686897 /nfs/dbraw/zinc/68/68/97/346686897.db2.gz GJNYGAVADKKBDS-ZJUUUORDSA-N 2 2 186.299 0.428 10 0 ACAELP CCC[C@@H]1C[N@@H+](CC[NH3+])CC[C@@H]1O 409428365 346686901 /nfs/dbraw/zinc/68/69/01/346686901.db2.gz GJNYGAVADKKBDS-ZJUUUORDSA-N 2 2 186.299 0.428 10 0 ACAELP [NH3+]CC[N@@H+]1CCOC[C@H]2CCC[C@H]21 409428533 346686944 /nfs/dbraw/zinc/68/69/44/346686944.db2.gz GPVCXBRUYSDYFB-NXEZZACHSA-N 2 2 184.283 0.446 10 0 ACAELP [NH3+]CC[N@H+]1CCOC[C@H]2CCC[C@H]21 409428533 346686945 /nfs/dbraw/zinc/68/69/45/346686945.db2.gz GPVCXBRUYSDYFB-NXEZZACHSA-N 2 2 184.283 0.446 10 0 ACAELP [NH3+]CC[N@@H+]1CCOC[C@@H]2CCC[C@H]21 409428536 346687053 /nfs/dbraw/zinc/68/70/53/346687053.db2.gz GPVCXBRUYSDYFB-VHSXEESVSA-N 2 2 184.283 0.446 10 0 ACAELP [NH3+]CC[N@H+]1CCOC[C@@H]2CCC[C@H]21 409428536 346687055 /nfs/dbraw/zinc/68/70/55/346687055.db2.gz GPVCXBRUYSDYFB-VHSXEESVSA-N 2 2 184.283 0.446 10 0 ACAELP CCC[C@@H]1C[N@H+](CC[NH3+])CC[C@H]1O 409428361 346687101 /nfs/dbraw/zinc/68/71/01/346687101.db2.gz GJNYGAVADKKBDS-NXEZZACHSA-N 2 2 186.299 0.428 10 0 ACAELP CCC[C@@H]1C[N@@H+](CC[NH3+])CC[C@H]1O 409428361 346687105 /nfs/dbraw/zinc/68/71/05/346687105.db2.gz GJNYGAVADKKBDS-NXEZZACHSA-N 2 2 186.299 0.428 10 0 ACAELP CCC[C@H]1C[N@H+](CC[NH3+])CC[C@H]1O 409428364 346687168 /nfs/dbraw/zinc/68/71/68/346687168.db2.gz GJNYGAVADKKBDS-VHSXEESVSA-N 2 2 186.299 0.428 10 0 ACAELP CCC[C@H]1C[N@@H+](CC[NH3+])CC[C@H]1O 409428364 346687171 /nfs/dbraw/zinc/68/71/71/346687171.db2.gz GJNYGAVADKKBDS-VHSXEESVSA-N 2 2 186.299 0.428 10 0 ACAELP CCC[C@H]1C[N@H+](CC[NH3+])CC[C@@H]1O 409428363 346687274 /nfs/dbraw/zinc/68/72/74/346687274.db2.gz GJNYGAVADKKBDS-UWVGGRQHSA-N 2 2 186.299 0.428 10 0 ACAELP CCC[C@H]1C[N@@H+](CC[NH3+])CC[C@@H]1O 409428363 346687275 /nfs/dbraw/zinc/68/72/75/346687275.db2.gz GJNYGAVADKKBDS-UWVGGRQHSA-N 2 2 186.299 0.428 10 0 ACAELP [NH3+]CC[N@@H+]1CCOC[C@H]2CCC[C@@H]21 409428537 346687341 /nfs/dbraw/zinc/68/73/41/346687341.db2.gz GPVCXBRUYSDYFB-ZJUUUORDSA-N 2 2 184.283 0.446 10 0 ACAELP [NH3+]CC[N@H+]1CCOC[C@H]2CCC[C@@H]21 409428537 346687345 /nfs/dbraw/zinc/68/73/45/346687345.db2.gz GPVCXBRUYSDYFB-ZJUUUORDSA-N 2 2 184.283 0.446 10 0 ACAELP [NH3+]CC[N@@H+]1CCOC[C@@H]2CCC[C@@H]21 409428535 346687444 /nfs/dbraw/zinc/68/74/44/346687444.db2.gz GPVCXBRUYSDYFB-UWVGGRQHSA-N 2 2 184.283 0.446 10 0 ACAELP [NH3+]CC[N@H+]1CCOC[C@@H]2CCC[C@@H]21 409428535 346687447 /nfs/dbraw/zinc/68/74/47/346687447.db2.gz GPVCXBRUYSDYFB-UWVGGRQHSA-N 2 2 184.283 0.446 10 0 ACAELP [NH3+]CCNc1cc(N2CCC2)[nH+]cn1 409428596 346687934 /nfs/dbraw/zinc/68/79/34/346687934.db2.gz NHDCNTSCPVJJJI-UHFFFAOYSA-N 2 2 193.254 0.057 10 0 ACAELP [NH2+]=C(NO)C12CCC[NH+]1CCC2 409428929 346688123 /nfs/dbraw/zinc/68/81/23/346688123.db2.gz BQFMQOGUAHZVOZ-UHFFFAOYSA-N 2 2 169.228 0.571 10 0 ACAELP [NH3+]CC[N@@H+]1CCC[C@]2(CCCCO2)C1 409429093 346688512 /nfs/dbraw/zinc/68/85/12/346688512.db2.gz NUDGBYVKPVJRBJ-LLVKDONJSA-N 2 2 198.310 0.980 10 0 ACAELP [NH3+]CC[N@H+]1CCC[C@]2(CCCCO2)C1 409429093 346688514 /nfs/dbraw/zinc/68/85/14/346688514.db2.gz NUDGBYVKPVJRBJ-LLVKDONJSA-N 2 2 198.310 0.980 10 0 ACAELP [NH3+]CC[N@@H+]1CCC[C@@]2(CCCCO2)C1 409429094 346688777 /nfs/dbraw/zinc/68/87/77/346688777.db2.gz NUDGBYVKPVJRBJ-NSHDSACASA-N 2 2 198.310 0.980 10 0 ACAELP [NH3+]CC[N@H+]1CCC[C@@]2(CCCCO2)C1 409429094 346688780 /nfs/dbraw/zinc/68/87/80/346688780.db2.gz NUDGBYVKPVJRBJ-NSHDSACASA-N 2 2 198.310 0.980 10 0 ACAELP CO[C@@H]1C[NH2+]C[C@@H]1n1cc[nH+]c1 409430304 346689958 /nfs/dbraw/zinc/68/99/58/346689958.db2.gz IILHFEPTIVRSKE-JGVFFNPUSA-N 2 2 167.212 0.042 10 0 ACAELP CO[C@@H]1C[NH2+]C[C@H]1n1cc[nH+]c1 409430297 346689972 /nfs/dbraw/zinc/68/99/72/346689972.db2.gz IILHFEPTIVRSKE-HTQZYQBOSA-N 2 2 167.212 0.042 10 0 ACAELP CO[C@H]1C[NH2+]C[C@H]1n1cc[nH+]c1 409430307 346690023 /nfs/dbraw/zinc/69/00/23/346690023.db2.gz IILHFEPTIVRSKE-SFYZADRCSA-N 2 2 167.212 0.042 10 0 ACAELP CO[C@H]1C[NH2+]C[C@@H]1n1cc[nH+]c1 409430309 346690266 /nfs/dbraw/zinc/69/02/66/346690266.db2.gz IILHFEPTIVRSKE-YUMQZZPRSA-N 2 2 167.212 0.042 10 0 ACAELP [NH3+]CC[NH+]1CCC2(CCCCO2)CC1 409430270 346690368 /nfs/dbraw/zinc/69/03/68/346690368.db2.gz QGQXWLWNFMCJLW-UHFFFAOYSA-N 2 2 198.310 0.980 10 0 ACAELP [NH3+]CC[N@@H+]1CCC[C@H](C(F)F)C1 409430754 346690802 /nfs/dbraw/zinc/69/08/02/346690802.db2.gz RDTFDTQQTNZITO-ZETCQYMHSA-N 2 2 178.226 0.922 10 0 ACAELP [NH3+]CC[N@H+]1CCC[C@H](C(F)F)C1 409430754 346690805 /nfs/dbraw/zinc/69/08/05/346690805.db2.gz RDTFDTQQTNZITO-ZETCQYMHSA-N 2 2 178.226 0.922 10 0 ACAELP [NH3+]CC[N@@H+]1CCC[C@@H](C(F)F)C1 409430749 346691051 /nfs/dbraw/zinc/69/10/51/346691051.db2.gz RDTFDTQQTNZITO-SSDOTTSWSA-N 2 2 178.226 0.922 10 0 ACAELP [NH3+]CC[N@H+]1CCC[C@@H](C(F)F)C1 409430749 346691055 /nfs/dbraw/zinc/69/10/55/346691055.db2.gz RDTFDTQQTNZITO-SSDOTTSWSA-N 2 2 178.226 0.922 10 0 ACAELP COC[C@@H]1C[N@H+](CC[NH3+])CC12CCC2 409433640 346696466 /nfs/dbraw/zinc/69/64/66/346696466.db2.gz NAIFJDVPBDCEHO-JTQLQIEISA-N 2 2 198.310 0.694 10 0 ACAELP COC[C@@H]1C[N@@H+](CC[NH3+])CC12CCC2 409433640 346696470 /nfs/dbraw/zinc/69/64/70/346696470.db2.gz NAIFJDVPBDCEHO-JTQLQIEISA-N 2 2 198.310 0.694 10 0 ACAELP COC[C@H]1C[N@H+](CC[NH3+])CC12CCC2 409433641 346696811 /nfs/dbraw/zinc/69/68/11/346696811.db2.gz NAIFJDVPBDCEHO-SNVBAGLBSA-N 2 2 198.310 0.694 10 0 ACAELP COC[C@H]1C[N@@H+](CC[NH3+])CC12CCC2 409433641 346696814 /nfs/dbraw/zinc/69/68/14/346696814.db2.gz NAIFJDVPBDCEHO-SNVBAGLBSA-N 2 2 198.310 0.694 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@H](O)[C@@H](CC2CC2)C1 409434439 346697131 /nfs/dbraw/zinc/69/71/31/346697131.db2.gz PERGWJUBSMOSBH-QWRGUYRKSA-N 2 2 198.310 0.428 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@H](O)[C@@H](CC2CC2)C1 409434439 346697134 /nfs/dbraw/zinc/69/71/34/346697134.db2.gz PERGWJUBSMOSBH-QWRGUYRKSA-N 2 2 198.310 0.428 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@H](O)[C@H](CC2CC2)C1 409434438 346697204 /nfs/dbraw/zinc/69/72/04/346697204.db2.gz PERGWJUBSMOSBH-MNOVXSKESA-N 2 2 198.310 0.428 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@H](O)[C@H](CC2CC2)C1 409434438 346697207 /nfs/dbraw/zinc/69/72/07/346697207.db2.gz PERGWJUBSMOSBH-MNOVXSKESA-N 2 2 198.310 0.428 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@@H](O)[C@H](CC2CC2)C1 409434437 346697368 /nfs/dbraw/zinc/69/73/68/346697368.db2.gz PERGWJUBSMOSBH-GHMZBOCLSA-N 2 2 198.310 0.428 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@@H](O)[C@H](CC2CC2)C1 409434437 346697364 /nfs/dbraw/zinc/69/73/64/346697364.db2.gz PERGWJUBSMOSBH-GHMZBOCLSA-N 2 2 198.310 0.428 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@@H](O)[C@@H](CC2CC2)C1 409434440 346697425 /nfs/dbraw/zinc/69/74/25/346697425.db2.gz PERGWJUBSMOSBH-WDEREUQCSA-N 2 2 198.310 0.428 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@@H](O)[C@@H](CC2CC2)C1 409434440 346697428 /nfs/dbraw/zinc/69/74/28/346697428.db2.gz PERGWJUBSMOSBH-WDEREUQCSA-N 2 2 198.310 0.428 10 0 ACAELP COC[C@]12CCC[C@@H]1C[N@H+](CC[NH3+])C2 409434910 346697969 /nfs/dbraw/zinc/69/79/69/346697969.db2.gz RGDWVWJUTTVRAE-GHMZBOCLSA-N 2 2 198.310 0.694 10 0 ACAELP COC[C@]12CCC[C@@H]1C[N@@H+](CC[NH3+])C2 409434910 346697972 /nfs/dbraw/zinc/69/79/72/346697972.db2.gz RGDWVWJUTTVRAE-GHMZBOCLSA-N 2 2 198.310 0.694 10 0 ACAELP COC[C@@]12CCC[C@@H]1C[N@@H+](CC[NH3+])C2 409434911 346698119 /nfs/dbraw/zinc/69/81/19/346698119.db2.gz RGDWVWJUTTVRAE-MNOVXSKESA-N 2 2 198.310 0.694 10 0 ACAELP COC[C@@]12CCC[C@H]1C[N@H+](CC[NH3+])C2 409434912 346698572 /nfs/dbraw/zinc/69/85/72/346698572.db2.gz RGDWVWJUTTVRAE-QWRGUYRKSA-N 2 2 198.310 0.694 10 0 ACAELP COC[C@@]12CCC[C@H]1C[N@@H+](CC[NH3+])C2 409434912 346698573 /nfs/dbraw/zinc/69/85/73/346698573.db2.gz RGDWVWJUTTVRAE-QWRGUYRKSA-N 2 2 198.310 0.694 10 0 ACAELP C[C@H]1C[N@@H+](C2COC2)CC[C@H]1[NH3+] 575167337 346715204 /nfs/dbraw/zinc/71/52/04/346715204.db2.gz DWVBOPGQAWROLD-IONNQARKSA-N 2 2 170.256 0.054 10 0 ACAELP C[C@H]1C[N@H+](C2COC2)CC[C@H]1[NH3+] 575167337 346715206 /nfs/dbraw/zinc/71/52/06/346715206.db2.gz DWVBOPGQAWROLD-IONNQARKSA-N 2 2 170.256 0.054 10 0 ACAELP C[C@H]1C[N@@H+](C2COC2)CC[C@@H]1[NH3+] 575167336 346715263 /nfs/dbraw/zinc/71/52/63/346715263.db2.gz DWVBOPGQAWROLD-CBAPKCEASA-N 2 2 170.256 0.054 10 0 ACAELP C[C@H]1C[N@H+](C2COC2)CC[C@@H]1[NH3+] 575167336 346715265 /nfs/dbraw/zinc/71/52/65/346715265.db2.gz DWVBOPGQAWROLD-CBAPKCEASA-N 2 2 170.256 0.054 10 0 ACAELP C[C@@H]1C[N@@H+](C2COC2)CC[C@H]1[NH3+] 575167338 346715383 /nfs/dbraw/zinc/71/53/83/346715383.db2.gz DWVBOPGQAWROLD-VXNVDRBHSA-N 2 2 170.256 0.054 10 0 ACAELP C[C@@H]1C[N@H+](C2COC2)CC[C@H]1[NH3+] 575167338 346715384 /nfs/dbraw/zinc/71/53/84/346715384.db2.gz DWVBOPGQAWROLD-VXNVDRBHSA-N 2 2 170.256 0.054 10 0 ACAELP [NH3+]C[C@@]12CCC[N@@H+]1C[C@H](F)C2 584620223 346730741 /nfs/dbraw/zinc/73/07/41/346730741.db2.gz XSWRIJVLPYHRRZ-SFYZADRCSA-N 2 2 158.220 0.522 10 0 ACAELP [NH3+]C[C@@]12CCC[N@H+]1C[C@H](F)C2 584620223 346730743 /nfs/dbraw/zinc/73/07/43/346730743.db2.gz XSWRIJVLPYHRRZ-SFYZADRCSA-N 2 2 158.220 0.522 10 0 ACAELP [NH3+][C@H]1C[NH2+]C[C@@H]1Oc1ccccc1 584633691 346736595 /nfs/dbraw/zinc/73/65/95/346736595.db2.gz HAJHAIWDKKCLGG-UWVGGRQHSA-N 2 2 178.235 0.365 10 0 ACAELP C[NH2+][C@@H]1C2CC[NH+](CC2)C12CC2 616575571 347102350 /nfs/dbraw/zinc/10/23/50/347102350.db2.gz BETCETMSDFLNID-SECBINFHSA-N 2 2 166.268 0.833 10 0 ACAELP C[NH2+][C@H]1C2CC[NH+](CC2)C12CC2 616575573 347102640 /nfs/dbraw/zinc/10/26/40/347102640.db2.gz BETCETMSDFLNID-VIFPVBQESA-N 2 2 166.268 0.833 10 0 ACAELP C[NH2+][C@H]1CCC[N@@H+]2CCSC[C@@H]12 616576777 347103257 /nfs/dbraw/zinc/10/32/57/347103257.db2.gz FPUBAEMNPLKJMV-IUCAKERBSA-N 2 2 186.324 0.786 10 0 ACAELP C[NH2+][C@H]1CCC[N@H+]2CCSC[C@@H]12 616576777 347103259 /nfs/dbraw/zinc/10/32/59/347103259.db2.gz FPUBAEMNPLKJMV-IUCAKERBSA-N 2 2 186.324 0.786 10 0 ACAELP OCC[NH2+][C@@H]1C2CC[NH+](CC2)C12CC2 616577102 347103291 /nfs/dbraw/zinc/10/32/91/347103291.db2.gz INPMVRXGCNBCMS-SNVBAGLBSA-N 2 2 196.294 0.195 10 0 ACAELP C[NH2+][C@@H]1CCC[N@@H+]2CCSC[C@H]12 616576802 347103440 /nfs/dbraw/zinc/10/34/40/347103440.db2.gz FPUBAEMNPLKJMV-RKDXNWHRSA-N 2 2 186.324 0.786 10 0 ACAELP C[NH2+][C@@H]1CCC[N@H+]2CCSC[C@H]12 616576802 347103441 /nfs/dbraw/zinc/10/34/41/347103441.db2.gz FPUBAEMNPLKJMV-RKDXNWHRSA-N 2 2 186.324 0.786 10 0 ACAELP OCC[NH2+][C@H]1C2CC[NH+](CC2)C12CC2 616577099 347103491 /nfs/dbraw/zinc/10/34/91/347103491.db2.gz INPMVRXGCNBCMS-JTQLQIEISA-N 2 2 196.294 0.195 10 0 ACAELP C[NH2+][C@@H]1CCC[N@@H+]2CCSC[C@@H]12 616576774 347103515 /nfs/dbraw/zinc/10/35/15/347103515.db2.gz FPUBAEMNPLKJMV-BDAKNGLRSA-N 2 2 186.324 0.786 10 0 ACAELP C[NH2+][C@@H]1CCC[N@H+]2CCSC[C@@H]12 616576774 347103518 /nfs/dbraw/zinc/10/35/18/347103518.db2.gz FPUBAEMNPLKJMV-BDAKNGLRSA-N 2 2 186.324 0.786 10 0 ACAELP C[NH2+][C@H]1CCC[N@@H+]2CCSC[C@H]12 616576776 347103529 /nfs/dbraw/zinc/10/35/29/347103529.db2.gz FPUBAEMNPLKJMV-DTWKUNHWSA-N 2 2 186.324 0.786 10 0 ACAELP C[NH2+][C@H]1CCC[N@H+]2CCSC[C@H]12 616576776 347103533 /nfs/dbraw/zinc/10/35/33/347103533.db2.gz FPUBAEMNPLKJMV-DTWKUNHWSA-N 2 2 186.324 0.786 10 0 ACAELP CC(C)[N@@H+]1CCO[C@@H]([NH3+])CC1 616593418 347106695 /nfs/dbraw/zinc/10/66/95/347106695.db2.gz JWNZRRRMLINFKE-MRVPVSSYSA-N 2 2 158.245 0.402 10 0 ACAELP CC(C)[N@H+]1CCO[C@@H]([NH3+])CC1 616593418 347106699 /nfs/dbraw/zinc/10/66/99/347106699.db2.gz JWNZRRRMLINFKE-MRVPVSSYSA-N 2 2 158.245 0.402 10 0 ACAELP Nc1[nH+]cccc1[C@H]1CC[NH2+]CCO1 616594290 347106751 /nfs/dbraw/zinc/10/67/51/347106751.db2.gz PYNOGIIKCWMUBJ-SECBINFHSA-N 2 2 193.250 0.715 10 0 ACAELP C[N@@H+]1CCO[C@@H](n2cc[nH+]c2)CC1 616593145 347106993 /nfs/dbraw/zinc/10/69/93/347106993.db2.gz ICRXAHAEQGRWDZ-SECBINFHSA-N 2 2 181.239 0.734 10 0 ACAELP C[N@H+]1CCO[C@@H](n2cc[nH+]c2)CC1 616593145 347106995 /nfs/dbraw/zinc/10/69/95/347106995.db2.gz ICRXAHAEQGRWDZ-SECBINFHSA-N 2 2 181.239 0.734 10 0 ACAELP CC[N@@H+]1CCO[C@@H]([NH3+])CC1 616594527 347107022 /nfs/dbraw/zinc/10/70/22/347107022.db2.gz QKAGVRWJYWGPIW-SSDOTTSWSA-N 2 2 144.218 0.013 10 0 ACAELP CC[N@H+]1CCO[C@@H]([NH3+])CC1 616594527 347107024 /nfs/dbraw/zinc/10/70/24/347107024.db2.gz QKAGVRWJYWGPIW-SSDOTTSWSA-N 2 2 144.218 0.013 10 0 ACAELP CC[N@@H+]1CCO[C@@H]([NH2+]C)CC1 616595627 347107081 /nfs/dbraw/zinc/10/70/81/347107081.db2.gz XECHOWFICRUXTI-MRVPVSSYSA-N 2 2 158.245 0.274 10 0 ACAELP CC[N@H+]1CCO[C@@H]([NH2+]C)CC1 616595627 347107083 /nfs/dbraw/zinc/10/70/83/347107083.db2.gz XECHOWFICRUXTI-MRVPVSSYSA-N 2 2 158.245 0.274 10 0 ACAELP C[NH2+][C@H]1CC[N@@H+](C(C)C)CCO1 616595260 347107241 /nfs/dbraw/zinc/10/72/41/347107241.db2.gz VLLBLNAMTBGHNB-SECBINFHSA-N 2 2 172.272 0.663 10 0 ACAELP C[NH2+][C@H]1CC[N@H+](C(C)C)CCO1 616595260 347107244 /nfs/dbraw/zinc/10/72/44/347107244.db2.gz VLLBLNAMTBGHNB-SECBINFHSA-N 2 2 172.272 0.663 10 0 ACAELP CC[C@H]1CC[N@H+](CC[NH3+])CCO1 616593696 347107250 /nfs/dbraw/zinc/10/72/50/347107250.db2.gz ASFFVMKIQCYTMI-VIFPVBQESA-N 2 2 172.272 0.446 10 0 ACAELP CC[C@H]1CC[N@@H+](CC[NH3+])CCO1 616593696 347107254 /nfs/dbraw/zinc/10/72/54/347107254.db2.gz ASFFVMKIQCYTMI-VIFPVBQESA-N 2 2 172.272 0.446 10 0 ACAELP CC[N@@H+]1CCOCC[C@@H]1C[NH3+] 616599000 347107955 /nfs/dbraw/zinc/10/79/55/347107955.db2.gz NQHQWHUKGNIAJZ-MRVPVSSYSA-N 2 2 158.245 0.056 10 0 ACAELP CC[N@H+]1CCOCC[C@@H]1C[NH3+] 616599000 347107956 /nfs/dbraw/zinc/10/79/56/347107956.db2.gz NQHQWHUKGNIAJZ-MRVPVSSYSA-N 2 2 158.245 0.056 10 0 ACAELP C[C@H]1CC[N@H+](CC[NH3+])CCO1 616596250 347108059 /nfs/dbraw/zinc/10/80/59/347108059.db2.gz UFDAZFAPCBJFHK-QMMMGPOBSA-N 2 2 158.245 0.056 10 0 ACAELP C[C@H]1CC[N@@H+](CC[NH3+])CCO1 616596250 347108060 /nfs/dbraw/zinc/10/80/60/347108060.db2.gz UFDAZFAPCBJFHK-QMMMGPOBSA-N 2 2 158.245 0.056 10 0 ACAELP CC(C)(C)[N@@H+]1CCO[C@@H]([NH3+])CC1 616596530 347108374 /nfs/dbraw/zinc/10/83/74/347108374.db2.gz ZIDZSPAZIBFXHY-MRVPVSSYSA-N 2 2 172.272 0.792 10 0 ACAELP CC(C)(C)[N@H+]1CCO[C@@H]([NH3+])CC1 616596530 347108377 /nfs/dbraw/zinc/10/83/77/347108377.db2.gz ZIDZSPAZIBFXHY-MRVPVSSYSA-N 2 2 172.272 0.792 10 0 ACAELP CC(=O)[C@@H]1CCC[N@H+](CC[NH3+])CC1 616602442 347108954 /nfs/dbraw/zinc/10/89/54/347108954.db2.gz XNMWQCSCLOHBOM-SNVBAGLBSA-N 2 2 184.283 0.636 10 0 ACAELP CC(=O)[C@@H]1CCC[N@@H+](CC[NH3+])CC1 616602442 347108955 /nfs/dbraw/zinc/10/89/55/347108955.db2.gz XNMWQCSCLOHBOM-SNVBAGLBSA-N 2 2 184.283 0.636 10 0 ACAELP [NH3+]CC[C@@H]1CCC[N@H+](CC[NH3+])CC1 616600793 347109239 /nfs/dbraw/zinc/10/92/39/347109239.db2.gz HUMUMRSOTBICOE-JTQLQIEISA-N 3 2 185.315 0.396 10 0 ACAELP [NH3+]CC[C@@H]1CCC[N@@H+](CC[NH3+])CC1 616600793 347109244 /nfs/dbraw/zinc/10/92/44/347109244.db2.gz HUMUMRSOTBICOE-JTQLQIEISA-N 3 2 185.315 0.396 10 0 ACAELP [NH3+]CC[N@@H+]1CCCC[C@@H](F)C1 616605674 347110885 /nfs/dbraw/zinc/11/08/85/347110885.db2.gz UNMFRIIUBDBZGW-MRVPVSSYSA-N 2 2 160.236 0.769 10 0 ACAELP [NH3+]CC[N@H+]1CCCC[C@@H](F)C1 616605674 347110888 /nfs/dbraw/zinc/11/08/88/347110888.db2.gz UNMFRIIUBDBZGW-MRVPVSSYSA-N 2 2 160.236 0.769 10 0 ACAELP [NH3+]CCN1CCC[C@H]1c1c[nH+]c[nH]1 616607831 347112930 /nfs/dbraw/zinc/11/29/30/347112930.db2.gz NEPNONLNJLQUIE-VIFPVBQESA-N 2 2 180.255 0.505 10 0 ACAELP [NH3+]CCN1CCC[C@H]1c1c[nH]c[nH+]1 616607831 347112932 /nfs/dbraw/zinc/11/29/32/347112932.db2.gz NEPNONLNJLQUIE-VIFPVBQESA-N 2 2 180.255 0.505 10 0 ACAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1cn[nH]c1 616607478 347113206 /nfs/dbraw/zinc/11/32/06/347113206.db2.gz ISIOXUCEKNBFFD-VIFPVBQESA-N 2 2 180.255 0.505 10 0 ACAELP [NH3+]CC[N@H+]1CCC[C@H]1c1cn[nH]c1 616607478 347113209 /nfs/dbraw/zinc/11/32/09/347113209.db2.gz ISIOXUCEKNBFFD-VIFPVBQESA-N 2 2 180.255 0.505 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@H](c2cc[nH]n2)C1 616611211 347115390 /nfs/dbraw/zinc/11/53/90/347115390.db2.gz BFAYAYFQKRCQDG-QMMMGPOBSA-N 2 2 180.255 0.158 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@H](c2cc[nH]n2)C1 616611211 347115394 /nfs/dbraw/zinc/11/53/94/347115394.db2.gz BFAYAYFQKRCQDG-QMMMGPOBSA-N 2 2 180.255 0.158 10 0 ACAELP C[N@@H+]1CC[C@H](c2[nH]cc[nH+]2)C1 616610734 347115413 /nfs/dbraw/zinc/11/54/13/347115413.db2.gz VTUMSIHKXUHUTB-ZETCQYMHSA-N 2 2 151.213 0.829 10 0 ACAELP C[N@H+]1CC[C@H](c2[nH]cc[nH+]2)C1 616610734 347115415 /nfs/dbraw/zinc/11/54/15/347115415.db2.gz VTUMSIHKXUHUTB-ZETCQYMHSA-N 2 2 151.213 0.829 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@H](c2ccncn2)C1 616611160 347115449 /nfs/dbraw/zinc/11/54/49/347115449.db2.gz ATEFMOHGFIBDOL-VIFPVBQESA-N 2 2 192.266 0.225 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@H](c2ccncn2)C1 616611160 347115454 /nfs/dbraw/zinc/11/54/54/347115454.db2.gz ATEFMOHGFIBDOL-VIFPVBQESA-N 2 2 192.266 0.225 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@@H](c2ccncn2)C1 616611144 347115636 /nfs/dbraw/zinc/11/56/36/347115636.db2.gz ATEFMOHGFIBDOL-SECBINFHSA-N 2 2 192.266 0.225 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@@H](c2ccncn2)C1 616611144 347115638 /nfs/dbraw/zinc/11/56/38/347115638.db2.gz ATEFMOHGFIBDOL-SECBINFHSA-N 2 2 192.266 0.225 10 0 ACAELP [NH3+]CCN1CC[C@H](n2cc[nH+]c2)C1 616611081 347115727 /nfs/dbraw/zinc/11/57/27/347115727.db2.gz AMBBWTSWLHHGDQ-VIFPVBQESA-N 2 2 180.255 0.089 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@H](c2ccno2)C1 616611251 347115734 /nfs/dbraw/zinc/11/57/34/347115734.db2.gz BNPUFEXQQBKZTG-QMMMGPOBSA-N 2 2 181.239 0.423 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@H](c2ccno2)C1 616611251 347115735 /nfs/dbraw/zinc/11/57/35/347115735.db2.gz BNPUFEXQQBKZTG-QMMMGPOBSA-N 2 2 181.239 0.423 10 0 ACAELP [NH3+]CCN1CC[C@H](c2c[nH]c[nH+]2)C1 616612032 347116073 /nfs/dbraw/zinc/11/60/73/347116073.db2.gz KBYRQRVABIPNQG-QMMMGPOBSA-N 2 2 180.255 0.158 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@H](n2cccn2)C1 616611303 347116376 /nfs/dbraw/zinc/11/63/76/347116376.db2.gz BZSUQBNSKRPUOI-VIFPVBQESA-N 2 2 180.255 0.089 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@H](n2cccn2)C1 616611303 347116379 /nfs/dbraw/zinc/11/63/79/347116379.db2.gz BZSUQBNSKRPUOI-VIFPVBQESA-N 2 2 180.255 0.089 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@H](c2ncco2)C1 616611581 347116394 /nfs/dbraw/zinc/11/63/94/347116394.db2.gz GMCAGRKMNMCAKH-QMMMGPOBSA-N 2 2 181.239 0.423 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@H](c2ncco2)C1 616611581 347116396 /nfs/dbraw/zinc/11/63/96/347116396.db2.gz GMCAGRKMNMCAKH-QMMMGPOBSA-N 2 2 181.239 0.423 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@H](c2ccnnc2)C1 616611537 347116454 /nfs/dbraw/zinc/11/64/54/347116454.db2.gz GHLJZHGJOWCPMM-JTQLQIEISA-N 2 2 192.266 0.225 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@H](c2ccnnc2)C1 616611537 347116458 /nfs/dbraw/zinc/11/64/58/347116458.db2.gz GHLJZHGJOWCPMM-JTQLQIEISA-N 2 2 192.266 0.225 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@@H](c2ccnnc2)C1 616611522 347116563 /nfs/dbraw/zinc/11/65/63/347116563.db2.gz GHLJZHGJOWCPMM-SNVBAGLBSA-N 2 2 192.266 0.225 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@@H](c2ccnnc2)C1 616611522 347116564 /nfs/dbraw/zinc/11/65/64/347116564.db2.gz GHLJZHGJOWCPMM-SNVBAGLBSA-N 2 2 192.266 0.225 10 0 ACAELP OCC[N@H+]1CC[C@H](n2cc[nH+]c2)C1 616612960 347117080 /nfs/dbraw/zinc/11/70/80/347117080.db2.gz DLUTYMVDLSMQBO-VIFPVBQESA-N 2 2 181.239 0.122 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@H](c2cncnc2)C1 616612760 347117040 /nfs/dbraw/zinc/11/70/40/347117040.db2.gz RTLOZFAPJNJLMJ-VIFPVBQESA-N 2 2 192.266 0.225 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@H](c2cncnc2)C1 616612760 347117042 /nfs/dbraw/zinc/11/70/42/347117042.db2.gz RTLOZFAPJNJLMJ-VIFPVBQESA-N 2 2 192.266 0.225 10 0 ACAELP OCC[N@@H+]1CC[C@H](n2cc[nH+]c2)C1 616612960 347117079 /nfs/dbraw/zinc/11/70/79/347117079.db2.gz DLUTYMVDLSMQBO-VIFPVBQESA-N 2 2 181.239 0.122 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@@H](c2cccnn2)C1 616612556 347117099 /nfs/dbraw/zinc/11/70/99/347117099.db2.gz VSMVXVLHZUOURN-SECBINFHSA-N 2 2 192.266 0.225 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@@H](c2cccnn2)C1 616612556 347117103 /nfs/dbraw/zinc/11/71/03/347117103.db2.gz VSMVXVLHZUOURN-SECBINFHSA-N 2 2 192.266 0.225 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@@H](c2cncnc2)C1 616612325 347117126 /nfs/dbraw/zinc/11/71/26/347117126.db2.gz RTLOZFAPJNJLMJ-SECBINFHSA-N 2 2 192.266 0.225 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@@H](c2cncnc2)C1 616612325 347117131 /nfs/dbraw/zinc/11/71/31/347117131.db2.gz RTLOZFAPJNJLMJ-SECBINFHSA-N 2 2 192.266 0.225 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@H](c2cn[nH]c2)C1 616613243 347118077 /nfs/dbraw/zinc/11/80/77/347118077.db2.gz ZSFFEEDJNYRISL-QMMMGPOBSA-N 2 2 180.255 0.158 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@H](c2cn[nH]c2)C1 616613243 347118080 /nfs/dbraw/zinc/11/80/80/347118080.db2.gz ZSFFEEDJNYRISL-QMMMGPOBSA-N 2 2 180.255 0.158 10 0 ACAELP C[N@@H+]1CC[C@@H](c2[nH]cc[nH+]2)C1 616613544 347118162 /nfs/dbraw/zinc/11/81/62/347118162.db2.gz VTUMSIHKXUHUTB-SSDOTTSWSA-N 2 2 151.213 0.829 10 0 ACAELP C[N@H+]1CC[C@@H](c2[nH]cc[nH+]2)C1 616613544 347118166 /nfs/dbraw/zinc/11/81/66/347118166.db2.gz VTUMSIHKXUHUTB-SSDOTTSWSA-N 2 2 151.213 0.829 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@H](c2cccnn2)C1 616613012 347118314 /nfs/dbraw/zinc/11/83/14/347118314.db2.gz VSMVXVLHZUOURN-VIFPVBQESA-N 2 2 192.266 0.225 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@H](c2cccnn2)C1 616613012 347118319 /nfs/dbraw/zinc/11/83/19/347118319.db2.gz VSMVXVLHZUOURN-VIFPVBQESA-N 2 2 192.266 0.225 10 0 ACAELP OCC[N@@H+]1CC[C@H](c2[nH]cc[nH+]2)C1 616612987 347118400 /nfs/dbraw/zinc/11/84/00/347118400.db2.gz FYHWFXZPOYWHAY-QMMMGPOBSA-N 2 2 181.239 0.191 10 0 ACAELP OCC[N@H+]1CC[C@H](c2[nH]cc[nH+]2)C1 616612987 347118403 /nfs/dbraw/zinc/11/84/03/347118403.db2.gz FYHWFXZPOYWHAY-QMMMGPOBSA-N 2 2 181.239 0.191 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@H](c2cnco2)C1 616613177 347118700 /nfs/dbraw/zinc/11/87/00/347118700.db2.gz ZCKBCYSBKQAJRD-QMMMGPOBSA-N 2 2 181.239 0.423 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@H](c2cnco2)C1 616613177 347118703 /nfs/dbraw/zinc/11/87/03/347118703.db2.gz ZCKBCYSBKQAJRD-QMMMGPOBSA-N 2 2 181.239 0.423 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@@H](c2cc[nH]n2)C1 616614066 347119436 /nfs/dbraw/zinc/11/94/36/347119436.db2.gz BFAYAYFQKRCQDG-MRVPVSSYSA-N 2 2 180.255 0.158 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@@H](c2cc[nH]n2)C1 616614066 347119438 /nfs/dbraw/zinc/11/94/38/347119438.db2.gz BFAYAYFQKRCQDG-MRVPVSSYSA-N 2 2 180.255 0.158 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@@H](n2cccn2)C1 616614085 347119517 /nfs/dbraw/zinc/11/95/17/347119517.db2.gz BZSUQBNSKRPUOI-SECBINFHSA-N 2 2 180.255 0.089 10 0 ACAELP [NH3+]CC[N@@H+]1CC[C@@H](c2ccno2)C1 616614075 347119543 /nfs/dbraw/zinc/11/95/43/347119543.db2.gz BNPUFEXQQBKZTG-MRVPVSSYSA-N 2 2 181.239 0.423 10 0 ACAELP [NH3+]CC[N@H+]1CC[C@@H](c2ccno2)C1 616614075 347119544 /nfs/dbraw/zinc/11/95/44/347119544.db2.gz BNPUFEXQQBKZTG-MRVPVSSYSA-N 2 2 181.239 0.423 10 0 ACAELP OCC[N@@H+]1CC[C@@H](c2[nH]cc[nH+]2)C1 616614154 347119588 /nfs/dbraw/zinc/11/95/88/347119588.db2.gz FYHWFXZPOYWHAY-MRVPVSSYSA-N 2 2 181.239 0.191 10 0 ACAELP OCC[N@H+]1CC[C@@H](c2[nH]cc[nH+]2)C1 616614154 347119590 /nfs/dbraw/zinc/11/95/90/347119590.db2.gz 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ISBRPMGDUVNPJH-VIFPVBQESA-N 2 2 195.266 0.813 10 0 ACAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cnno2)C1 616619958 347126483 /nfs/dbraw/zinc/12/64/83/347126483.db2.gz CWISBJKHVCLOPQ-QMMMGPOBSA-N 2 2 196.254 0.208 10 0 ACAELP [NH3+]CC[N@H+]1CCC[C@H](c2cnno2)C1 616619958 347126487 /nfs/dbraw/zinc/12/64/87/347126487.db2.gz CWISBJKHVCLOPQ-QMMMGPOBSA-N 2 2 196.254 0.208 10 0 ACAELP [NH3+]CCN1CCC[C@@H](n2cc[nH+]c2)C1 616621643 347126934 /nfs/dbraw/zinc/12/69/34/347126934.db2.gz UNFUTASITUHCFC-SNVBAGLBSA-N 2 2 194.282 0.479 10 0 ACAELP CC(=O)[C@@H]1CCC[N@H+](CC[NH3+])C1 616621671 347127023 /nfs/dbraw/zinc/12/70/23/347127023.db2.gz VHMVSKWTMVWPJP-SECBINFHSA-N 2 2 170.256 0.246 10 0 ACAELP CC(=O)[C@@H]1CCC[N@@H+](CC[NH3+])C1 616621671 347127025 /nfs/dbraw/zinc/12/70/25/347127025.db2.gz VHMVSKWTMVWPJP-SECBINFHSA-N 2 2 170.256 0.246 10 0 ACAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cnco2)C1 616621739 347127037 /nfs/dbraw/zinc/12/70/37/347127037.db2.gz XGTWBLNZABZNHW-SECBINFHSA-N 2 2 195.266 0.813 10 0 ACAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cnco2)C1 616621739 347127041 /nfs/dbraw/zinc/12/70/41/347127041.db2.gz XGTWBLNZABZNHW-SECBINFHSA-N 2 2 195.266 0.813 10 0 ACAELP [NH3+]CCN1CCC[C@H](n2cc[nH+]c2)C1 616621899 347127060 /nfs/dbraw/zinc/12/70/60/347127060.db2.gz UNFUTASITUHCFC-JTQLQIEISA-N 2 2 194.282 0.479 10 0 ACAELP [NH3+]CCN1CCC[C@H](c2c[nH]c[nH+]2)C1 616620733 347127625 /nfs/dbraw/zinc/12/76/25/347127625.db2.gz KXPDUXMSDNQMHL-VIFPVBQESA-N 2 2 194.282 0.548 10 0 ACAELP CC(=O)[C@H]1CCC[N@H+](CC[NH3+])C1 616621929 347127637 /nfs/dbraw/zinc/12/76/37/347127637.db2.gz VHMVSKWTMVWPJP-VIFPVBQESA-N 2 2 170.256 0.246 10 0 ACAELP CC(=O)[C@H]1CCC[N@@H+](CC[NH3+])C1 616621929 347127639 /nfs/dbraw/zinc/12/76/39/347127639.db2.gz VHMVSKWTMVWPJP-VIFPVBQESA-N 2 2 170.256 0.246 10 0 ACAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cnco2)C1 616621982 347128005 /nfs/dbraw/zinc/12/80/05/347128005.db2.gz XGTWBLNZABZNHW-VIFPVBQESA-N 2 2 195.266 0.813 10 0 ACAELP [NH3+]CC[N@H+]1CCC[C@H](c2cnco2)C1 616621982 347128008 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160.236 0.769 10 0 ACAELP C[N@@H+]1CCO[C@H](n2cc[nH+]c2)C1 616643597 347143739 /nfs/dbraw/zinc/14/37/39/347143739.db2.gz USLVBUFEXCKKCN-QMMMGPOBSA-N 2 2 167.212 0.344 10 0 ACAELP C[N@H+]1CCO[C@H](n2cc[nH+]c2)C1 616643597 347143742 /nfs/dbraw/zinc/14/37/42/347143742.db2.gz USLVBUFEXCKKCN-QMMMGPOBSA-N 2 2 167.212 0.344 10 0 ACAELP CC[C@@H]1COCCC[N@@H+]1CC[NH3+] 616646524 347146953 /nfs/dbraw/zinc/14/69/53/347146953.db2.gz XRIFPLKSMYWPLK-SECBINFHSA-N 2 2 172.272 0.446 10 0 ACAELP CC[C@@H]1COCCC[N@H+]1CC[NH3+] 616646524 347146954 /nfs/dbraw/zinc/14/69/54/347146954.db2.gz XRIFPLKSMYWPLK-SECBINFHSA-N 2 2 172.272 0.446 10 0 ACAELP CC[C@H]1COCCC[N@@H+]1CC[NH3+] 616647312 347147854 /nfs/dbraw/zinc/14/78/54/347147854.db2.gz XRIFPLKSMYWPLK-VIFPVBQESA-N 2 2 172.272 0.446 10 0 ACAELP CC[C@H]1COCCC[N@H+]1CC[NH3+] 616647312 347147858 /nfs/dbraw/zinc/14/78/58/347147858.db2.gz XRIFPLKSMYWPLK-VIFPVBQESA-N 2 2 172.272 0.446 10 0 ACAELP CC(C)[N@@H+]1CCCOC[C@@H]1C[NH3+] 616647299 347148256 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0.990 10 0 ACAELP CC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 639510218 347521523 /nfs/dbraw/zinc/52/15/23/347521523.db2.gz YXKKXGMMRZNKRB-KOLCDFICSA-N 2 2 198.310 0.990 10 0 ACAELP CC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 639510218 347521526 /nfs/dbraw/zinc/52/15/26/347521526.db2.gz YXKKXGMMRZNKRB-KOLCDFICSA-N 2 2 198.310 0.990 10 0 ACAELP CC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 639510220 347521594 /nfs/dbraw/zinc/52/15/94/347521594.db2.gz YXKKXGMMRZNKRB-ONGXEEELSA-N 2 2 198.310 0.990 10 0 ACAELP CC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 639510220 347521598 /nfs/dbraw/zinc/52/15/98/347521598.db2.gz YXKKXGMMRZNKRB-ONGXEEELSA-N 2 2 198.310 0.990 10 0 ACAELP CC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 639510220 347521600 /nfs/dbraw/zinc/52/16/00/347521600.db2.gz YXKKXGMMRZNKRB-ONGXEEELSA-N 2 2 198.310 0.990 10 0 ACAELP CC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 639510220 347521604 /nfs/dbraw/zinc/52/16/04/347521604.db2.gz YXKKXGMMRZNKRB-ONGXEEELSA-N 2 2 198.310 0.990 10 0 ACAELP CC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 639510217 347521678 /nfs/dbraw/zinc/52/16/78/347521678.db2.gz YXKKXGMMRZNKRB-GXSJLCMTSA-N 2 2 198.310 0.990 10 0 ACAELP CC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 639510217 347521682 /nfs/dbraw/zinc/52/16/82/347521682.db2.gz YXKKXGMMRZNKRB-GXSJLCMTSA-N 2 2 198.310 0.990 10 0 ACAELP CC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 639510217 347521685 /nfs/dbraw/zinc/52/16/85/347521685.db2.gz YXKKXGMMRZNKRB-GXSJLCMTSA-N 2 2 198.310 0.990 10 0 ACAELP CC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 639510217 347521688 /nfs/dbraw/zinc/52/16/88/347521688.db2.gz YXKKXGMMRZNKRB-GXSJLCMTSA-N 2 2 198.310 0.990 10 0 ACAELP CC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 639611556 347528401 /nfs/dbraw/zinc/52/84/01/347528401.db2.gz BIJIOKXIWDNUPB-LLVKDONJSA-N 2 2 198.310 0.992 10 0 ACAELP CC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 639611556 347528403 /nfs/dbraw/zinc/52/84/03/347528403.db2.gz BIJIOKXIWDNUPB-LLVKDONJSA-N 2 2 198.310 0.992 10 0 ACAELP CC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 639611557 347528883 /nfs/dbraw/zinc/52/88/83/347528883.db2.gz BIJIOKXIWDNUPB-NSHDSACASA-N 2 2 198.310 0.992 10 0 ACAELP CC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 639611557 347528884 /nfs/dbraw/zinc/52/88/84/347528884.db2.gz BIJIOKXIWDNUPB-NSHDSACASA-N 2 2 198.310 0.992 10 0 ACAELP C[NH+](C)[C@H]1CCN(Cc2c[nH]c[nH+]2)C1 639807831 347536242 /nfs/dbraw/zinc/53/62/42/347536242.db2.gz VSVVQMWAMCAVJT-JTQLQIEISA-N 2 2 194.282 0.546 10 0 ACAELP C[NH+](C)[C@@H]1CCN(Cc2c[nH+]c[nH]2)C1 639807832 347536325 /nfs/dbraw/zinc/53/63/25/347536325.db2.gz VSVVQMWAMCAVJT-SNVBAGLBSA-N 2 2 194.282 0.546 10 0 ACAELP C[NH+](C)[C@@H]1CCN(Cc2c[nH]c[nH+]2)C1 639807832 347536328 /nfs/dbraw/zinc/53/63/28/347536328.db2.gz VSVVQMWAMCAVJT-SNVBAGLBSA-N 2 2 194.282 0.546 10 0 ACAELP C[C@@H]1[NH2+]CC[C@H]1c1c[nH]c[nH+]1 16617 351268071 /nfs/dbraw/zinc/26/80/71/351268071.db2.gz FLOJCNYYPGNYBP-NKWVEPMBSA-N 2 2 151.213 0.875 10 0 in-vivo ACAELP c1[nH]c(C[C@H]2CC[NH2+]C2)c[nH+]1 13530293 351370235 /nfs/dbraw/zinc/37/02/35/351370235.db2.gz YGGBVTGACIFVRB-SSDOTTSWSA-N 2 2 151.213 0.562 10 0 ACAELP c1[nH]cc(C[C@H]2CC[NH2+]C2)[nH+]1 13530293 351370237 /nfs/dbraw/zinc/37/02/37/351370237.db2.gz YGGBVTGACIFVRB-SSDOTTSWSA-N 2 2 151.213 0.562 10 0 ACAELP c1[nH]c(C[C@@H]2CC[NH2+]C2)c[nH+]1 13530290 351370286 /nfs/dbraw/zinc/37/02/86/351370286.db2.gz YGGBVTGACIFVRB-ZETCQYMHSA-N 2 2 151.213 0.562 10 0 ACAELP c1[nH]cc(C[C@@H]2CC[NH2+]C2)[nH+]1 13530290 351370289 /nfs/dbraw/zinc/37/02/89/351370289.db2.gz YGGBVTGACIFVRB-ZETCQYMHSA-N 2 2 151.213 0.562 10 0 ACAELP OCC[NH2+]CCC[NH2+]Cc1ccco1 13733125 351371630 /nfs/dbraw/zinc/37/16/30/351371630.db2.gz VKNRLEMGBYFQSD-UHFFFAOYSA-N 2 2 198.266 0.341 10 0 ACAELP C[C@@](C[NH3+])(C1CC1)[NH+]1CCOCC1 21953862 351408327 /nfs/dbraw/zinc/40/83/27/351408327.db2.gz ZJXXGXZRYITTGR-SNVBAGLBSA-N 2 2 184.283 0.446 10 0 ACAELP c1[nH]c(CN2CCC[NH2+]CC2)c[nH+]1 22442725 351413357 /nfs/dbraw/zinc/41/33/57/351413357.db2.gz XNLYRKLODCIACJ-UHFFFAOYSA-N 2 2 180.255 0.205 10 0 ACAELP c1[nH]cc(CN2CCC[NH2+]CC2)[nH+]1 22442725 351413361 /nfs/dbraw/zinc/41/33/61/351413361.db2.gz XNLYRKLODCIACJ-UHFFFAOYSA-N 2 2 180.255 0.205 10 0 ACAELP C[C@@H]1C[N@H+](CCC[NH3+])CCO1 22220172 351413407 /nfs/dbraw/zinc/41/34/07/351413407.db2.gz TUKRVFZKXDIDNP-MRVPVSSYSA-N 2 2 158.245 0.056 10 0 ACAELP C[C@@H]1C[N@@H+](CCC[NH3+])CCO1 22220172 351413411 /nfs/dbraw/zinc/41/34/11/351413411.db2.gz TUKRVFZKXDIDNP-MRVPVSSYSA-N 2 2 158.245 0.056 10 0 ACAELP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2[NH3+])CCO1 23068688 351415034 /nfs/dbraw/zinc/41/50/34/351415034.db2.gz CHSHDRMKPVJZBG-KXUCPTDWSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2[NH3+])CCO1 23068688 351415035 /nfs/dbraw/zinc/41/50/35/351415035.db2.gz CHSHDRMKPVJZBG-KXUCPTDWSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1COCC[N@H+]1CCC[NH3+] 35774140 351454270 /nfs/dbraw/zinc/45/42/70/351454270.db2.gz PADXGWNODRTXHD-MRVPVSSYSA-N 2 2 158.245 0.056 10 0 ACAELP C[C@@H]1C[N@@H+](C(C)(C)C[NH3+])[C@H](C)CO1 35783491 351454675 /nfs/dbraw/zinc/45/46/75/351454675.db2.gz OUYUJERQAFBCEM-RKDXNWHRSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]1C[N@H+](C(C)(C)C[NH3+])[C@H](C)CO1 35783491 351454677 /nfs/dbraw/zinc/45/46/77/351454677.db2.gz OUYUJERQAFBCEM-RKDXNWHRSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]1COCC[N@@H+]1C1(C[NH3+])CCCC1 35774964 351454689 /nfs/dbraw/zinc/45/46/89/351454689.db2.gz XEKVNUHTEYGCQE-SNVBAGLBSA-N 2 2 198.310 0.979 10 0 ACAELP C[C@@H]1COCC[N@H+]1C1(C[NH3+])CCCC1 35774964 351454694 /nfs/dbraw/zinc/45/46/94/351454694.db2.gz XEKVNUHTEYGCQE-SNVBAGLBSA-N 2 2 198.310 0.979 10 0 ACAELP C[C@@H]1COCC[N@@H+]1[C@@H]1CCC[C@@H]1[NH3+] 35775634 351454786 /nfs/dbraw/zinc/45/47/86/351454786.db2.gz JEUGHSUSIFEBGV-KXUCPTDWSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1COCC[N@H+]1[C@@H]1CCC[C@@H]1[NH3+] 35775634 351454791 /nfs/dbraw/zinc/45/47/91/351454791.db2.gz JEUGHSUSIFEBGV-KXUCPTDWSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1COCC[N@@H+]1[C@@](C)(C[NH3+])C1CC1 35774754 351454814 /nfs/dbraw/zinc/45/48/14/351454814.db2.gz FKUGISBUDIWTGR-KOLCDFICSA-N 2 2 198.310 0.835 10 0 ACAELP C[C@@H]1COCC[N@H+]1[C@@](C)(C[NH3+])C1CC1 35774754 351454816 /nfs/dbraw/zinc/45/48/16/351454816.db2.gz FKUGISBUDIWTGR-KOLCDFICSA-N 2 2 198.310 0.835 10 0 ACAELP C[C@@H]1C[N@@H+](C2CC[NH2+]CC2)[C@H](C)CO1 35786791 351454955 /nfs/dbraw/zinc/45/49/55/351454955.db2.gz JWTAGHWFRDYZCA-NXEZZACHSA-N 2 2 198.310 0.848 10 0 ACAELP C[C@@H]1C[N@H+](C2CC[NH2+]CC2)[C@H](C)CO1 35786791 351454960 /nfs/dbraw/zinc/45/49/60/351454960.db2.gz JWTAGHWFRDYZCA-NXEZZACHSA-N 2 2 198.310 0.848 10 0 ACAELP C[C@@H]1COCC[N@@H+]1C(C)(C)C[NH3+] 35774877 351454992 /nfs/dbraw/zinc/45/49/92/351454992.db2.gz UYDNJOGMVAAYKM-MRVPVSSYSA-N 2 2 172.272 0.444 10 0 ACAELP C[C@@H]1COCC[N@H+]1C(C)(C)C[NH3+] 35774877 351454994 /nfs/dbraw/zinc/45/49/94/351454994.db2.gz UYDNJOGMVAAYKM-MRVPVSSYSA-N 2 2 172.272 0.444 10 0 ACAELP C[C@@H]1COCC[N@@H+]1[C@@H](C[NH3+])C1CC1 36884026 351459585 /nfs/dbraw/zinc/45/95/85/351459585.db2.gz ONFGZLXLWIORHB-SCZZXKLOSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@@H]1COCC[N@H+]1[C@@H](C[NH3+])C1CC1 36884026 351459586 /nfs/dbraw/zinc/45/95/86/351459586.db2.gz ONFGZLXLWIORHB-SCZZXKLOSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@@H]1C[N@@H+]([C@@H](C[NH3+])C2CC2)CCO1 36883888 351459675 /nfs/dbraw/zinc/45/96/75/351459675.db2.gz XTRZNZHLFKTCSP-SCZZXKLOSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@@H]1C[N@H+]([C@@H](C[NH3+])C2CC2)CCO1 36883888 351459680 /nfs/dbraw/zinc/45/96/80/351459680.db2.gz XTRZNZHLFKTCSP-SCZZXKLOSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@@H]1C[N@@H+](CC2([NH3+])CCCC2)CCO1 37479570 351468721 /nfs/dbraw/zinc/46/87/21/351468721.db2.gz BSUAAKZBUSAFES-SNVBAGLBSA-N 2 2 198.310 0.979 10 0 ACAELP C[C@@H]1COCC[N@@H+]1CC1([NH3+])CCCC1 37479624 351468852 /nfs/dbraw/zinc/46/88/52/351468852.db2.gz IHZWNGWUGIQKHC-SNVBAGLBSA-N 2 2 198.310 0.979 10 0 ACAELP C[C@@H]1COCC[N@H+]1CC1([NH3+])CCCC1 37479624 351468855 /nfs/dbraw/zinc/46/88/55/351468855.db2.gz IHZWNGWUGIQKHC-SNVBAGLBSA-N 2 2 198.310 0.979 10 0 ACAELP C[C@@H]1CCC[N@@H+]1CC(N)=[NH2+] 37916226 351475841 /nfs/dbraw/zinc/47/58/41/351475841.db2.gz AZEXVEQGWPKGKU-ZCFIWIBFSA-N 2 2 141.218 0.407 10 0 ACAELP C[C@@H]1CCC[N@H+]1CC(N)=[NH2+] 37916226 351475843 /nfs/dbraw/zinc/47/58/43/351475843.db2.gz AZEXVEQGWPKGKU-ZCFIWIBFSA-N 2 2 141.218 0.407 10 0 ACAELP O[C@@H](c1c[nH]c[nH+]1)C1CC[NH2+]CC1 38325042 351480897 /nfs/dbraw/zinc/48/08/97/351480897.db2.gz LLVOMGKEVWXBGD-SECBINFHSA-N 2 2 181.239 0.443 10 0 ACAELP O[C@@H](c1c[nH+]c[nH]1)C1CC[NH2+]CC1 38325042 351480898 /nfs/dbraw/zinc/48/08/98/351480898.db2.gz LLVOMGKEVWXBGD-SECBINFHSA-N 2 2 181.239 0.443 10 0 ACAELP O[C@H](c1c[nH]c[nH+]1)C1CC[NH2+]CC1 38325043 351481232 /nfs/dbraw/zinc/48/12/32/351481232.db2.gz LLVOMGKEVWXBGD-VIFPVBQESA-N 2 2 181.239 0.443 10 0 ACAELP O[C@H](c1c[nH+]c[nH]1)C1CC[NH2+]CC1 38325043 351481236 /nfs/dbraw/zinc/48/12/36/351481236.db2.gz LLVOMGKEVWXBGD-VIFPVBQESA-N 2 2 181.239 0.443 10 0 ACAELP C[C@@H]1CCC[N@H+](CC(N)=[NH2+])C1 38971100 351484037 /nfs/dbraw/zinc/48/40/37/351484037.db2.gz DHUBIHQCESWDRA-SSDOTTSWSA-N 2 2 155.245 0.654 10 0 ACAELP C[C@@H]1CCC[N@@H+](CC(N)=[NH2+])C1 38971100 351484039 /nfs/dbraw/zinc/48/40/39/351484039.db2.gz DHUBIHQCESWDRA-SSDOTTSWSA-N 2 2 155.245 0.654 10 0 ACAELP C[C@@H]1CCCC[N@@H+]1CC(N)=[NH2+] 38986350 351485133 /nfs/dbraw/zinc/48/51/33/351485133.db2.gz KBLKRISKLLETMM-SSDOTTSWSA-N 2 2 155.245 0.797 10 0 ACAELP C[C@@H]1CCCC[N@H+]1CC(N)=[NH2+] 38986350 351485134 /nfs/dbraw/zinc/48/51/34/351485134.db2.gz KBLKRISKLLETMM-SSDOTTSWSA-N 2 2 155.245 0.797 10 0 ACAELP C[C@H]1C[C@H]([NH+](C)C)C[NH2+]1 39077646 351488386 /nfs/dbraw/zinc/48/83/86/351488386.db2.gz KIISWNNKQPROGB-BQBZGAKWSA-N 2 2 128.219 0.298 10 0 ACAELP C[NH2+]CC(C)(C)[NH+](C)C 39077785 351489169 /nfs/dbraw/zinc/48/91/69/351489169.db2.gz WWBYIFXSSNNBBW-UHFFFAOYSA-N 2 2 130.235 0.546 10 0 ACAELP c1[nH+]c(CC2CC2)n2c1C[NH2+]CC2 39114035 351492404 /nfs/dbraw/zinc/49/24/04/351492404.db2.gz JXRYVYGZLZYAMV-UHFFFAOYSA-N 2 2 177.251 0.939 10 0 ACAELP C[C@@H]1CC[N@H+](CC(N)=[NH2+])C1 40719291 351510806 /nfs/dbraw/zinc/51/08/06/351510806.db2.gz CFNZNGWGQFXMPL-ZCFIWIBFSA-N 2 2 141.218 0.264 10 0 ACAELP C[C@@H]1CC[N@@H+](CC(N)=[NH2+])C1 40719291 351510809 /nfs/dbraw/zinc/51/08/09/351510809.db2.gz CFNZNGWGQFXMPL-ZCFIWIBFSA-N 2 2 141.218 0.264 10 0 ACAELP c1cc(C[NH2+]C2CC[NH2+]CC2)n[nH]1 41015685 351513625 /nfs/dbraw/zinc/51/36/25/351513625.db2.gz ZWHUHOOTWAZPFR-UHFFFAOYSA-N 2 2 180.255 0.251 10 0 ACAELP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])[C@H](C)CO1 40925943 351513643 /nfs/dbraw/zinc/51/36/43/351513643.db2.gz FTRYCUYCYMCCQR-RKDXNWHRSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])[C@H](C)CO1 40925943 351513645 /nfs/dbraw/zinc/51/36/45/351513645.db2.gz FTRYCUYCYMCCQR-RKDXNWHRSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+](C)C1CCOCC1 41053865 351515985 /nfs/dbraw/zinc/51/59/85/351515985.db2.gz RMEMWGFHODQKEG-BDAKNGLRSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]([C@@H](C)[NH3+])[N@H+]1CCOC(C)(C)C1 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184.283 0.461 10 0 ACAELP C/C=C/[C@H]([NH3+])[C@H]1C[N@H+](C)C[C@@H](C)O1 575449737 352208963 /nfs/dbraw/zinc/20/89/63/352208963.db2.gz NZWNDBUGLJXBLQ-LWBFUSQJSA-N 2 2 184.283 0.609 10 0 ACAELP C/C=C/[C@H]([NH3+])[C@H]1C[N@H+](C)C[C@H](C)O1 575449736 352209015 /nfs/dbraw/zinc/20/90/15/352209015.db2.gz NZWNDBUGLJXBLQ-DOJWVHCASA-N 2 2 184.283 0.609 10 0 ACAELP C/C=C/[C@H]([NH3+])[C@@H]1C[N@H+](C)C[C@H](C)O1 575449733 352209091 /nfs/dbraw/zinc/20/90/91/352209091.db2.gz NZWNDBUGLJXBLQ-CBEQDWNCSA-N 2 2 184.283 0.609 10 0 ACAELP C/C=C/[C@H]([NH3+])[C@@H]1C[N@H+](C)C[C@@H](C)O1 575449738 352209225 /nfs/dbraw/zinc/20/92/25/352209225.db2.gz NZWNDBUGLJXBLQ-RQYQQKASSA-N 2 2 184.283 0.609 10 0 ACAELP Cn1c[nH+]cc1C1(F)CC[NH2+]CC1 575451228 352213342 /nfs/dbraw/zinc/21/33/42/352213342.db2.gz SQLDDOYQHGJKCW-UHFFFAOYSA-N 2 2 183.230 0.968 10 0 ACAELP [NH3+][C@H]1CC[N@@H+](C2CC(F)(F)C2)C1 575451643 352214792 /nfs/dbraw/zinc/21/47/92/352214792.db2.gz UTSRARCJSZQWLV-LURJTMIESA-N 2 2 176.210 0.817 10 0 ACAELP [NH3+][C@H]1CC[N@H+](C2CC(F)(F)C2)C1 575451643 352214794 /nfs/dbraw/zinc/21/47/94/352214794.db2.gz UTSRARCJSZQWLV-LURJTMIESA-N 2 2 176.210 0.817 10 0 ACAELP [NH3+][C@@H]1CC[N@@H+](C2CC(F)(F)C2)C1 575451644 352214829 /nfs/dbraw/zinc/21/48/29/352214829.db2.gz UTSRARCJSZQWLV-ZCFIWIBFSA-N 2 2 176.210 0.817 10 0 ACAELP [NH3+][C@@H]1CC[N@H+](C2CC(F)(F)C2)C1 575451644 352214831 /nfs/dbraw/zinc/21/48/31/352214831.db2.gz UTSRARCJSZQWLV-ZCFIWIBFSA-N 2 2 176.210 0.817 10 0 ACAELP C[NH2+]C1(C(=[NH2+])NO)CCCC1 575451686 352215552 /nfs/dbraw/zinc/21/55/52/352215552.db2.gz HALZTGTYCONGTQ-UHFFFAOYSA-N 2 2 157.217 0.475 10 0 ACAELP C[C@@H](CF)[NH2+][C@@H]1CCC[NH2+]C1 575451895 352216035 /nfs/dbraw/zinc/21/60/35/352216035.db2.gz UDAIXZQGTMYWEV-JGVFFNPUSA-N 2 2 160.236 0.686 10 0 ACAELP C[C@@H](CF)[NH2+][C@H]1CCC[NH2+]C1 575451897 352216181 /nfs/dbraw/zinc/21/61/81/352216181.db2.gz UDAIXZQGTMYWEV-YUMQZZPRSA-N 2 2 160.236 0.686 10 0 ACAELP C[C@H](CF)[NH2+][C@H]1CCC[NH2+]C1 575451896 352216299 /nfs/dbraw/zinc/21/62/99/352216299.db2.gz UDAIXZQGTMYWEV-SFYZADRCSA-N 2 2 160.236 0.686 10 0 ACAELP C[C@H](CF)[NH2+][C@@H]1CCC[NH2+]C1 575451894 352216335 /nfs/dbraw/zinc/21/63/35/352216335.db2.gz UDAIXZQGTMYWEV-HTQZYQBOSA-N 2 2 160.236 0.686 10 0 ACAELP CC1C[NH+](C2(C[NH3+])CSC2)C1 575454667 352225482 /nfs/dbraw/zinc/22/54/82/352225482.db2.gz PNCMJHLKKNMLLU-UHFFFAOYSA-N 2 2 172.297 0.382 10 0 ACAELP Cc1[nH+]c([C@@H]2COC[C@H]2[NH3+])cn1C 575456260 352229492 /nfs/dbraw/zinc/22/94/92/352229492.db2.gz NDEZMFVMLRLBQC-HTQZYQBOSA-N 2 2 181.239 0.170 10 0 ACAELP Cc1[nH+]c([C@@H]2COC[C@@H]2[NH3+])cn1C 575456272 352229689 /nfs/dbraw/zinc/22/96/89/352229689.db2.gz NDEZMFVMLRLBQC-SFYZADRCSA-N 2 2 181.239 0.170 10 0 ACAELP Cc1[nH+]c([C@H]2COC[C@H]2[NH3+])cn1C 575456271 352229860 /nfs/dbraw/zinc/22/98/60/352229860.db2.gz NDEZMFVMLRLBQC-JGVFFNPUSA-N 2 2 181.239 0.170 10 0 ACAELP Cc1[nH+]c([C@H]2COC[C@@H]2[NH3+])cn1C 575456273 352229990 /nfs/dbraw/zinc/22/99/90/352229990.db2.gz NDEZMFVMLRLBQC-YUMQZZPRSA-N 2 2 181.239 0.170 10 0 ACAELP Cn1cc[nH+]c1CC1([NH3+])CSC1 575456696 352231074 /nfs/dbraw/zinc/23/10/74/352231074.db2.gz AWDKWYXKVFCDLI-UHFFFAOYSA-N 2 2 183.280 0.407 10 0 ACAELP C[NH2+]C(C)(C)C1=[NH+]CCCN1 575458078 352235674 /nfs/dbraw/zinc/23/56/74/352235674.db2.gz CCWSFALJMSOUHL-UHFFFAOYSA-N 2 2 155.245 0.376 10 0 ACAELP c1[nH+]cn(C2CSC2)c1C1C[NH2+]C1 575458466 352237242 /nfs/dbraw/zinc/23/72/42/352237242.db2.gz QNFGFFKGYUWHQL-UHFFFAOYSA-N 2 2 195.291 0.858 10 0 ACAELP CC1(C)C[C@@H]([N@@H+]2CC[C@H]2C[NH3+])CO1 575459465 352240575 /nfs/dbraw/zinc/24/05/75/352240575.db2.gz JSNARGYSJGTGAC-DTWKUNHWSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)C[C@@H]([N@H+]2CC[C@H]2C[NH3+])CO1 575459465 352240577 /nfs/dbraw/zinc/24/05/77/352240577.db2.gz JSNARGYSJGTGAC-DTWKUNHWSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)C[C@H]([N@@H+]2CC[C@H]2C[NH3+])CO1 575459466 352240610 /nfs/dbraw/zinc/24/06/10/352240610.db2.gz JSNARGYSJGTGAC-IUCAKERBSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)C[C@H]([N@H+]2CC[C@H]2C[NH3+])CO1 575459466 352240614 /nfs/dbraw/zinc/24/06/14/352240614.db2.gz JSNARGYSJGTGAC-IUCAKERBSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)C[C@@H]([N@@H+]2CC[C@@H]2C[NH3+])CO1 575459467 352240726 /nfs/dbraw/zinc/24/07/26/352240726.db2.gz JSNARGYSJGTGAC-RKDXNWHRSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)C[C@@H]([N@H+]2CC[C@@H]2C[NH3+])CO1 575459467 352240730 /nfs/dbraw/zinc/24/07/30/352240730.db2.gz JSNARGYSJGTGAC-RKDXNWHRSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)C[C@H]([N@@H+]2CC[C@@H]2C[NH3+])CO1 575459453 352241016 /nfs/dbraw/zinc/24/10/16/352241016.db2.gz JSNARGYSJGTGAC-BDAKNGLRSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)C[C@H]([N@H+]2CC[C@@H]2C[NH3+])CO1 575459453 352241018 /nfs/dbraw/zinc/24/10/18/352241018.db2.gz JSNARGYSJGTGAC-BDAKNGLRSA-N 2 2 184.283 0.587 10 0 ACAELP CC1C[NH+]([C@H](C)[C@H]2C[NH2+]CCO2)C1 575459635 352241413 /nfs/dbraw/zinc/24/14/13/352241413.db2.gz VGDBAQRBOPLBJH-NXEZZACHSA-N 2 2 184.283 0.315 10 0 ACAELP CC1C[NH+]([C@H](C)[C@@H]2C[NH2+]CCO2)C1 575459638 352241471 /nfs/dbraw/zinc/24/14/71/352241471.db2.gz VGDBAQRBOPLBJH-ZJUUUORDSA-N 2 2 184.283 0.315 10 0 ACAELP CC1C[NH+]([C@@H](C)[C@H]2C[NH2+]CCO2)C1 575459637 352241635 /nfs/dbraw/zinc/24/16/35/352241635.db2.gz VGDBAQRBOPLBJH-VHSXEESVSA-N 2 2 184.283 0.315 10 0 ACAELP CC1C[NH+]([C@@H](C)[C@@H]2C[NH2+]CCO2)C1 575459636 352241721 /nfs/dbraw/zinc/24/17/21/352241721.db2.gz VGDBAQRBOPLBJH-UWVGGRQHSA-N 2 2 184.283 0.315 10 0 ACAELP CSC[C@@H]([NH3+])c1c[nH+]cn1C 575460524 352243762 /nfs/dbraw/zinc/24/37/62/352243762.db2.gz CXCCNECLPXRDTF-ZCFIWIBFSA-N 2 2 171.269 0.783 10 0 ACAELP CSC[C@H]([NH3+])c1c[nH+]cn1C 575460523 352243995 /nfs/dbraw/zinc/24/39/95/352243995.db2.gz CXCCNECLPXRDTF-LURJTMIESA-N 2 2 171.269 0.783 10 0 ACAELP CC1(C)CC[N@@H+]1CC[NH3+] 575461018 352245083 /nfs/dbraw/zinc/24/50/83/352245083.db2.gz OXXNCMNYFCTBTM-UHFFFAOYSA-N 2 2 128.219 0.429 10 0 ACAELP CC1(C)CC[N@H+]1CC[NH3+] 575461018 352245087 /nfs/dbraw/zinc/24/50/87/352245087.db2.gz OXXNCMNYFCTBTM-UHFFFAOYSA-N 2 2 128.219 0.429 10 0 ACAELP Cc1[nH+]cc([C@H](F)C2C[NH2+]C2)n1C 575461190 352246448 /nfs/dbraw/zinc/24/64/48/352246448.db2.gz MRFRVTRCNVBRDW-SECBINFHSA-N 2 2 183.230 0.959 10 0 ACAELP Cc1[nH+]cc([C@@H](F)C2C[NH2+]C2)n1C 575461191 352246865 /nfs/dbraw/zinc/24/68/65/352246865.db2.gz MRFRVTRCNVBRDW-VIFPVBQESA-N 2 2 183.230 0.959 10 0 ACAELP Cn1c[nH+]cc1[C@H](F)C[NH3+] 575462672 352252922 /nfs/dbraw/zinc/25/29/22/352252922.db2.gz NWGMJQBLIHYPCA-RXMQYKEDSA-N 2 2 143.165 0.389 10 0 ACAELP Cn1c[nH+]cc1[C@@H](F)C[NH3+] 575462673 352253263 /nfs/dbraw/zinc/25/32/63/352253263.db2.gz NWGMJQBLIHYPCA-YFKPBYRVSA-N 2 2 143.165 0.389 10 0 ACAELP [NH3+][C@@H]1CCO[C@H]1C[N@@H+]1CC[C@@H](F)C1 575463617 352256029 /nfs/dbraw/zinc/25/60/29/352256029.db2.gz KJQBHJMGNMTMNL-HLTSFMKQSA-N 2 2 188.246 0.146 10 0 ACAELP [NH3+][C@@H]1CCO[C@H]1C[N@H+]1CC[C@@H](F)C1 575463617 352256030 /nfs/dbraw/zinc/25/60/30/352256030.db2.gz KJQBHJMGNMTMNL-HLTSFMKQSA-N 2 2 188.246 0.146 10 0 ACAELP [NH3+][C@@H]1CCO[C@H]1C[N@@H+]1CC[C@H](F)C1 575463619 352256041 /nfs/dbraw/zinc/25/60/41/352256041.db2.gz KJQBHJMGNMTMNL-YIZRAAEISA-N 2 2 188.246 0.146 10 0 ACAELP [NH3+][C@@H]1CCO[C@H]1C[N@H+]1CC[C@H](F)C1 575463619 352256043 /nfs/dbraw/zinc/25/60/43/352256043.db2.gz KJQBHJMGNMTMNL-YIZRAAEISA-N 2 2 188.246 0.146 10 0 ACAELP COC[C@@H]([NH3+])[C@@H]1CCC[N@@H+]1C 575463681 352256050 /nfs/dbraw/zinc/25/60/50/352256050.db2.gz NWUDSEAMXFDRBB-SFYZADRCSA-N 2 2 158.245 0.054 10 0 ACAELP COC[C@@H]([NH3+])[C@@H]1CCC[N@H+]1C 575463681 352256051 /nfs/dbraw/zinc/25/60/51/352256051.db2.gz NWUDSEAMXFDRBB-SFYZADRCSA-N 2 2 158.245 0.054 10 0 ACAELP [NH3+][C@@H]1CCO[C@@H]1C[N@@H+]1CC[C@@H](F)C1 575463618 352256139 /nfs/dbraw/zinc/25/61/39/352256139.db2.gz KJQBHJMGNMTMNL-IWSPIJDZSA-N 2 2 188.246 0.146 10 0 ACAELP [NH3+][C@@H]1CCO[C@@H]1C[N@H+]1CC[C@@H](F)C1 575463618 352256141 /nfs/dbraw/zinc/25/61/41/352256141.db2.gz KJQBHJMGNMTMNL-IWSPIJDZSA-N 2 2 188.246 0.146 10 0 ACAELP COC[C@H]([NH3+])[C@H]1CCC[N@@H+]1C 575463680 352256230 /nfs/dbraw/zinc/25/62/30/352256230.db2.gz NWUDSEAMXFDRBB-JGVFFNPUSA-N 2 2 158.245 0.054 10 0 ACAELP COC[C@H]([NH3+])[C@H]1CCC[N@H+]1C 575463680 352256234 /nfs/dbraw/zinc/25/62/34/352256234.db2.gz NWUDSEAMXFDRBB-JGVFFNPUSA-N 2 2 158.245 0.054 10 0 ACAELP COC[C@@H]([NH3+])[C@H]1CCC[N@@H+]1C 575463679 352256253 /nfs/dbraw/zinc/25/62/53/352256253.db2.gz NWUDSEAMXFDRBB-HTQZYQBOSA-N 2 2 158.245 0.054 10 0 ACAELP COC[C@@H]([NH3+])[C@H]1CCC[N@H+]1C 575463679 352256256 /nfs/dbraw/zinc/25/62/56/352256256.db2.gz NWUDSEAMXFDRBB-HTQZYQBOSA-N 2 2 158.245 0.054 10 0 ACAELP [NH3+][C@@H]1CCO[C@@H]1C[N@@H+]1CC[C@H](F)C1 575463610 352256274 /nfs/dbraw/zinc/25/62/74/352256274.db2.gz KJQBHJMGNMTMNL-DJLDLDEBSA-N 2 2 188.246 0.146 10 0 ACAELP [NH3+][C@@H]1CCO[C@@H]1C[N@H+]1CC[C@H](F)C1 575463610 352256277 /nfs/dbraw/zinc/25/62/77/352256277.db2.gz KJQBHJMGNMTMNL-DJLDLDEBSA-N 2 2 188.246 0.146 10 0 ACAELP COC[C@H]([NH3+])[C@@H]1CCC[N@@H+]1C 575463682 352256297 /nfs/dbraw/zinc/25/62/97/352256297.db2.gz NWUDSEAMXFDRBB-YUMQZZPRSA-N 2 2 158.245 0.054 10 0 ACAELP COC[C@H]([NH3+])[C@@H]1CCC[N@H+]1C 575463682 352256298 /nfs/dbraw/zinc/25/62/98/352256298.db2.gz NWUDSEAMXFDRBB-YUMQZZPRSA-N 2 2 158.245 0.054 10 0 ACAELP Nc1[nH+]cccc1[C@H](F)C1C[NH2+]C1 575464058 352256800 /nfs/dbraw/zinc/25/68/00/352256800.db2.gz ZUEOWKVHTMJDDS-MRVPVSSYSA-N 2 2 181.214 0.894 10 0 ACAELP Nc1[nH+]cccc1[C@@H](F)C1C[NH2+]C1 575464064 352257705 /nfs/dbraw/zinc/25/77/05/352257705.db2.gz ZUEOWKVHTMJDDS-QMMMGPOBSA-N 2 2 181.214 0.894 10 0 ACAELP Cn1c[nH+]cc1C1=CCC[NH2+]C1 575464238 352258413 /nfs/dbraw/zinc/25/84/13/352258413.db2.gz UQUOSTIHTIQBFS-UHFFFAOYSA-N 2 2 163.224 0.797 10 0 ACAELP C(=C1C[NH2+]C1)C1=CSC2=[NH+]CCN12 575464724 352260387 /nfs/dbraw/zinc/26/03/87/352260387.db2.gz WHHKIGBDGCUNKQ-UHFFFAOYSA-N 2 2 193.275 0.776 10 0 ACAELP C1=C(CC2C[NH2+]C2)N2CC[NH+]=C2S1 575467321 352270418 /nfs/dbraw/zinc/27/04/18/352270418.db2.gz BTMFWXAFQGEUGJ-UHFFFAOYSA-N 2 2 195.291 0.856 10 0 ACAELP C[C@@H]1CSC[C@]1([NH3+])c1c[nH+]cn1C 575468617 352275491 /nfs/dbraw/zinc/27/54/91/352275491.db2.gz OVALFPHHBHAGGO-VXNVDRBHSA-N 2 2 197.307 0.957 10 0 ACAELP C[C@@H]1CSC[C@@]1([NH3+])c1c[nH+]cn1C 575468614 352275509 /nfs/dbraw/zinc/27/55/09/352275509.db2.gz OVALFPHHBHAGGO-APPZFPTMSA-N 2 2 197.307 0.957 10 0 ACAELP Cn1c[nH+]cc1[C@@]1(O)CC[C@@H]([NH3+])C1 575468607 352275538 /nfs/dbraw/zinc/27/55/38/352275538.db2.gz MHUOHVHIFGBSKY-VXNVDRBHSA-N 2 2 181.239 0.119 10 0 ACAELP C[C@H]1CSC[C@@]1([NH3+])c1c[nH+]cn1C 575468615 352275563 /nfs/dbraw/zinc/27/55/63/352275563.db2.gz OVALFPHHBHAGGO-CBAPKCEASA-N 2 2 197.307 0.957 10 0 ACAELP Cn1c[nH+]cc1[C@]1(O)CC[C@@H]([NH3+])C1 575468604 352275677 /nfs/dbraw/zinc/27/56/77/352275677.db2.gz MHUOHVHIFGBSKY-APPZFPTMSA-N 2 2 181.239 0.119 10 0 ACAELP Cn1c[nH+]cc1[C@@]1(O)CC[C@H]([NH3+])C1 575468606 352275839 /nfs/dbraw/zinc/27/58/39/352275839.db2.gz MHUOHVHIFGBSKY-IONNQARKSA-N 2 2 181.239 0.119 10 0 ACAELP Cn1c[nH+]cc1[C@]1(O)CC[C@H]([NH3+])C1 575468605 352275887 /nfs/dbraw/zinc/27/58/87/352275887.db2.gz MHUOHVHIFGBSKY-CBAPKCEASA-N 2 2 181.239 0.119 10 0 ACAELP C[C@H]1CSC[C@]1([NH3+])c1c[nH+]cn1C 575468616 352275906 /nfs/dbraw/zinc/27/59/06/352275906.db2.gz OVALFPHHBHAGGO-IONNQARKSA-N 2 2 197.307 0.957 10 0 ACAELP Cn1c[nH+]cc1[C@@H]([NH3+])CC1OCCO1 575469840 352280856 /nfs/dbraw/zinc/28/08/56/352280856.db2.gz RHZRBYDWYSWKIU-ZETCQYMHSA-N 2 2 197.238 0.183 10 0 ACAELP Cn1c[nH+]cc1[C@H]([NH3+])CC1OCCO1 575469839 352281104 /nfs/dbraw/zinc/28/11/04/352281104.db2.gz RHZRBYDWYSWKIU-SSDOTTSWSA-N 2 2 197.238 0.183 10 0 ACAELP CC(F)(F)C[N@H+]1C[C@@H]2C[C@H](C1)C2[NH3+] 575470173 352282385 /nfs/dbraw/zinc/28/23/85/352282385.db2.gz REMGWXMWXZKXOF-DHBOJHSNSA-N 2 2 190.237 0.921 10 0 ACAELP CC(F)(F)C[N@@H+]1C[C@@H]2C[C@H](C1)C2[NH3+] 575470173 352282382 /nfs/dbraw/zinc/28/23/82/352282382.db2.gz REMGWXMWXZKXOF-DHBOJHSNSA-N 2 2 190.237 0.921 10 0 ACAELP [NH2+]=C(C[NH2+][C@@H]1C=CCC1)NO 575472317 352290130 /nfs/dbraw/zinc/29/01/30/352290130.db2.gz PUEHWFIYGRMARH-ZCFIWIBFSA-N 2 2 155.201 0.251 10 0 ACAELP [NH2+]=C(C[NH2+][C@H]1C=CCC1)NO 575472316 352290376 /nfs/dbraw/zinc/29/03/76/352290376.db2.gz PUEHWFIYGRMARH-LURJTMIESA-N 2 2 155.201 0.251 10 0 ACAELP C1C[C@@H]2C[N@H+](C3COC3)CC[C@@H]2[NH2+]1 575475738 352293036 /nfs/dbraw/zinc/29/30/36/352293036.db2.gz VHQSBRBTYXFUKL-SCZZXKLOSA-N 2 2 182.267 0.069 10 0 ACAELP C1C[C@@H]2C[N@@H+](C3COC3)CC[C@@H]2[NH2+]1 575475738 352293040 /nfs/dbraw/zinc/29/30/40/352293040.db2.gz VHQSBRBTYXFUKL-SCZZXKLOSA-N 2 2 182.267 0.069 10 0 ACAELP C1C[C@]2(CC[N@@H+](C3COC3)C2)C[NH2+]1 575475700 352293089 /nfs/dbraw/zinc/29/30/89/352293089.db2.gz NZDOLTABTOBPBO-JTQLQIEISA-N 2 2 182.267 0.071 10 0 ACAELP C1C[C@]2(CC[N@H+](C3COC3)C2)C[NH2+]1 575475700 352293092 /nfs/dbraw/zinc/29/30/92/352293092.db2.gz NZDOLTABTOBPBO-JTQLQIEISA-N 2 2 182.267 0.071 10 0 ACAELP C[N@H+](C1COC1)[C@H]1CCC[NH2+]CC1 575475685 352293157 /nfs/dbraw/zinc/29/31/57/352293157.db2.gz IHSDYYRRMFDRBA-VIFPVBQESA-N 2 2 184.283 0.459 10 0 ACAELP C[N@@H+](C1COC1)[C@H]1CCC[NH2+]CC1 575475685 352293162 /nfs/dbraw/zinc/29/31/62/352293162.db2.gz IHSDYYRRMFDRBA-VIFPVBQESA-N 2 2 184.283 0.459 10 0 ACAELP C1C[C@@]2(CC[N@@H+](C3COC3)C2)C[NH2+]1 575475701 352293247 /nfs/dbraw/zinc/29/32/47/352293247.db2.gz NZDOLTABTOBPBO-SNVBAGLBSA-N 2 2 182.267 0.071 10 0 ACAELP C1C[C@@]2(CC[N@H+](C3COC3)C2)C[NH2+]1 575475701 352293250 /nfs/dbraw/zinc/29/32/50/352293250.db2.gz NZDOLTABTOBPBO-SNVBAGLBSA-N 2 2 182.267 0.071 10 0 ACAELP C1C[C@H]2C[N@H+](C3COC3)CC[C@@H]2[NH2+]1 575475740 352293262 /nfs/dbraw/zinc/29/32/62/352293262.db2.gz VHQSBRBTYXFUKL-WPRPVWTQSA-N 2 2 182.267 0.069 10 0 ACAELP C1C[C@H]2C[N@@H+](C3COC3)CC[C@@H]2[NH2+]1 575475740 352293266 /nfs/dbraw/zinc/29/32/66/352293266.db2.gz VHQSBRBTYXFUKL-WPRPVWTQSA-N 2 2 182.267 0.069 10 0 ACAELP C[N@H+](C1COC1)[C@@H]1CCC[NH2+]CC1 575475684 352293285 /nfs/dbraw/zinc/29/32/85/352293285.db2.gz IHSDYYRRMFDRBA-SECBINFHSA-N 2 2 184.283 0.459 10 0 ACAELP C[N@@H+](C1COC1)[C@@H]1CCC[NH2+]CC1 575475684 352293288 /nfs/dbraw/zinc/29/32/88/352293288.db2.gz IHSDYYRRMFDRBA-SECBINFHSA-N 2 2 184.283 0.459 10 0 ACAELP C1C[C@H]2C[N@H+](C3COC3)CC[C@H]2[NH2+]1 575475739 352293295 /nfs/dbraw/zinc/29/32/95/352293295.db2.gz VHQSBRBTYXFUKL-WCBMZHEXSA-N 2 2 182.267 0.069 10 0 ACAELP C1C[C@H]2C[N@@H+](C3COC3)CC[C@H]2[NH2+]1 575475739 352293297 /nfs/dbraw/zinc/29/32/97/352293297.db2.gz VHQSBRBTYXFUKL-WCBMZHEXSA-N 2 2 182.267 0.069 10 0 ACAELP CC1(C)C[N@@H+](C2COC2)CC[C@H]1[NH3+] 575475698 352293337 /nfs/dbraw/zinc/29/33/37/352293337.db2.gz NWJSRIRGKJDUFU-SECBINFHSA-N 2 2 184.283 0.444 10 0 ACAELP CC1(C)C[N@H+](C2COC2)CC[C@H]1[NH3+] 575475698 352293339 /nfs/dbraw/zinc/29/33/39/352293339.db2.gz NWJSRIRGKJDUFU-SECBINFHSA-N 2 2 184.283 0.444 10 0 ACAELP CC1(C)C[N@@H+](C2COC2)CC[C@@H]1[NH3+] 575475699 352293357 /nfs/dbraw/zinc/29/33/57/352293357.db2.gz NWJSRIRGKJDUFU-VIFPVBQESA-N 2 2 184.283 0.444 10 0 ACAELP CC1(C)C[N@H+](C2COC2)CC[C@@H]1[NH3+] 575475699 352293360 /nfs/dbraw/zinc/29/33/60/352293360.db2.gz NWJSRIRGKJDUFU-VIFPVBQESA-N 2 2 184.283 0.444 10 0 ACAELP C1C[C@@H]2C[N@H+](C3COC3)CC[C@H]2[NH2+]1 575475737 352293398 /nfs/dbraw/zinc/29/33/98/352293398.db2.gz VHQSBRBTYXFUKL-PSASIEDQSA-N 2 2 182.267 0.069 10 0 ACAELP C1C[C@@H]2C[N@@H+](C3COC3)CC[C@H]2[NH2+]1 575475737 352293402 /nfs/dbraw/zinc/29/34/02/352293402.db2.gz VHQSBRBTYXFUKL-PSASIEDQSA-N 2 2 182.267 0.069 10 0 ACAELP CC[C@@H]1C[N@@H+](C2COC2)CC[C@H]1[NH3+] 575475756 352293685 /nfs/dbraw/zinc/29/36/85/352293685.db2.gz XZNOLIVWFQBJGJ-PSASIEDQSA-N 2 2 184.283 0.444 10 0 ACAELP CC[C@@H]1C[N@H+](C2COC2)CC[C@H]1[NH3+] 575475756 352293687 /nfs/dbraw/zinc/29/36/87/352293687.db2.gz XZNOLIVWFQBJGJ-PSASIEDQSA-N 2 2 184.283 0.444 10 0 ACAELP CC[C@H]1C[N@@H+](C2COC2)CC[C@H]1[NH3+] 575475758 352293914 /nfs/dbraw/zinc/29/39/14/352293914.db2.gz XZNOLIVWFQBJGJ-WCBMZHEXSA-N 2 2 184.283 0.444 10 0 ACAELP CC[C@H]1C[N@H+](C2COC2)CC[C@H]1[NH3+] 575475758 352293917 /nfs/dbraw/zinc/29/39/17/352293917.db2.gz XZNOLIVWFQBJGJ-WCBMZHEXSA-N 2 2 184.283 0.444 10 0 ACAELP CC[C@H]1C[N@@H+](C2COC2)CC[C@@H]1[NH3+] 575475759 352293943 /nfs/dbraw/zinc/29/39/43/352293943.db2.gz XZNOLIVWFQBJGJ-WPRPVWTQSA-N 2 2 184.283 0.444 10 0 ACAELP CC[C@H]1C[N@H+](C2COC2)CC[C@@H]1[NH3+] 575475759 352293946 /nfs/dbraw/zinc/29/39/46/352293946.db2.gz XZNOLIVWFQBJGJ-WPRPVWTQSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@]1(C[NH3+])CC[N@@H+](C2COC2)C1 575475769 352294034 /nfs/dbraw/zinc/29/40/34/352294034.db2.gz YQPTWBOAVUYJHX-SECBINFHSA-N 2 2 170.256 0.056 10 0 ACAELP C[C@]1(C[NH3+])CC[N@H+](C2COC2)C1 575475769 352294038 /nfs/dbraw/zinc/29/40/38/352294038.db2.gz YQPTWBOAVUYJHX-SECBINFHSA-N 2 2 170.256 0.056 10 0 ACAELP C[C@@]1(C[NH3+])CC[N@@H+](C2COC2)C1 575475770 352294052 /nfs/dbraw/zinc/29/40/52/352294052.db2.gz YQPTWBOAVUYJHX-VIFPVBQESA-N 2 2 170.256 0.056 10 0 ACAELP C[C@@]1(C[NH3+])CC[N@H+](C2COC2)C1 575475770 352294055 /nfs/dbraw/zinc/29/40/55/352294055.db2.gz YQPTWBOAVUYJHX-VIFPVBQESA-N 2 2 170.256 0.056 10 0 ACAELP CC[C@@H]1C[N@@H+](C2COC2)CC[C@@H]1[NH3+] 575475757 352294065 /nfs/dbraw/zinc/29/40/65/352294065.db2.gz XZNOLIVWFQBJGJ-SCZZXKLOSA-N 2 2 184.283 0.444 10 0 ACAELP CC[C@@H]1C[N@H+](C2COC2)CC[C@@H]1[NH3+] 575475757 352294068 /nfs/dbraw/zinc/29/40/68/352294068.db2.gz XZNOLIVWFQBJGJ-SCZZXKLOSA-N 2 2 184.283 0.444 10 0 ACAELP CC1C[NH+]([C@H]2C[NH2+]C[C@H](C)C2)C1 575478299 352294581 /nfs/dbraw/zinc/29/45/81/352294581.db2.gz ASCAOPIHELVFLU-PSASIEDQSA-N 2 2 168.284 0.936 10 0 ACAELP CC1C[NH+]([C@H]2C[NH2+]C[C@@H](C)C2)C1 575478301 352294621 /nfs/dbraw/zinc/29/46/21/352294621.db2.gz ASCAOPIHELVFLU-WCBMZHEXSA-N 2 2 168.284 0.936 10 0 ACAELP CC1C[NH+]([C@@H]2C[NH2+]C[C@H](C)C2)C1 575478300 352294763 /nfs/dbraw/zinc/29/47/63/352294763.db2.gz ASCAOPIHELVFLU-SCZZXKLOSA-N 2 2 168.284 0.936 10 0 ACAELP CC1C[NH+]([C@@H]2C[NH2+]C[C@@H](C)C2)C1 575478302 352294798 /nfs/dbraw/zinc/29/47/98/352294798.db2.gz ASCAOPIHELVFLU-WPRPVWTQSA-N 2 2 168.284 0.936 10 0 ACAELP [NH3+]CC[NH2+]C1CC(F)(F)C1 575479246 352299409 /nfs/dbraw/zinc/29/94/09/352299409.db2.gz CMIUWVLADOCGTF-UHFFFAOYSA-N 2 2 150.172 0.332 10 0 ACAELP F[C@@H]1CC[N@H+](C[C@]23C[NH2+]C[C@H]2C3)C1 575479376 352299924 /nfs/dbraw/zinc/29/99/24/352299924.db2.gz NENNFQLULIJCSZ-BBBLOLIVSA-N 2 2 184.258 0.640 10 0 ACAELP F[C@@H]1CC[N@@H+](C[C@]23C[NH2+]C[C@H]2C3)C1 575479376 352299928 /nfs/dbraw/zinc/29/99/28/352299928.db2.gz NENNFQLULIJCSZ-BBBLOLIVSA-N 2 2 184.258 0.640 10 0 ACAELP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1C1CSC1 575479322 352299938 /nfs/dbraw/zinc/29/99/38/352299938.db2.gz CSWNMQMVNQETEH-JGVFFNPUSA-N 2 2 186.324 0.913 10 0 ACAELP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1C1CSC1 575479322 352299940 /nfs/dbraw/zinc/29/99/40/352299940.db2.gz CSWNMQMVNQETEH-JGVFFNPUSA-N 2 2 186.324 0.913 10 0 ACAELP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1C1CSC1 575479315 352299981 /nfs/dbraw/zinc/29/99/81/352299981.db2.gz CSWNMQMVNQETEH-HTQZYQBOSA-N 2 2 186.324 0.913 10 0 ACAELP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1C1CSC1 575479315 352299985 /nfs/dbraw/zinc/29/99/85/352299985.db2.gz CSWNMQMVNQETEH-HTQZYQBOSA-N 2 2 186.324 0.913 10 0 ACAELP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1C1CSC1 575479327 352299990 /nfs/dbraw/zinc/29/99/90/352299990.db2.gz CSWNMQMVNQETEH-YUMQZZPRSA-N 2 2 186.324 0.913 10 0 ACAELP C[C@H]1CC[C@H]([NH3+])C[N@H+]1C1CSC1 575479327 352299993 /nfs/dbraw/zinc/29/99/93/352299993.db2.gz CSWNMQMVNQETEH-YUMQZZPRSA-N 2 2 186.324 0.913 10 0 ACAELP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1C1CSC1 575479324 352300135 /nfs/dbraw/zinc/30/01/35/352300135.db2.gz CSWNMQMVNQETEH-SFYZADRCSA-N 2 2 186.324 0.913 10 0 ACAELP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1C1CSC1 575479324 352300137 /nfs/dbraw/zinc/30/01/37/352300137.db2.gz CSWNMQMVNQETEH-SFYZADRCSA-N 2 2 186.324 0.913 10 0 ACAELP F[C@@H]1CC[N@H+](C[C@@]23C[NH2+]C[C@@H]2C3)C1 575479378 352300148 /nfs/dbraw/zinc/30/01/48/352300148.db2.gz NENNFQLULIJCSZ-IVZWLZJFSA-N 2 2 184.258 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/nfs/dbraw/zinc/33/21/64/352332164.db2.gz QQKLXPCWTXOMNS-BBBLOLIVSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]2COC[C@H]21 575485740 352332180 /nfs/dbraw/zinc/33/21/80/352332180.db2.gz QQKLXPCWTXOMNS-KXUCPTDWSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]2COC[C@H]21 575485740 352332182 /nfs/dbraw/zinc/33/21/82/352332182.db2.gz QQKLXPCWTXOMNS-KXUCPTDWSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]2COC[C@@H]21 575485729 352332217 /nfs/dbraw/zinc/33/22/17/352332217.db2.gz QQKLXPCWTXOMNS-AEJSXWLSSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]2COC[C@H]21 575485739 352332361 /nfs/dbraw/zinc/33/23/61/352332361.db2.gz QQKLXPCWTXOMNS-IVZWLZJFSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]2COC[C@H]21 575485739 352332363 /nfs/dbraw/zinc/33/23/63/352332363.db2.gz QQKLXPCWTXOMNS-IVZWLZJFSA-N 2 2 184.283 0.444 10 0 ACAELP [NH3+]CC[N@@H+]1CCC[C@H]2COC[C@H]21 575485877 352332755 /nfs/dbraw/zinc/33/27/55/352332755.db2.gz RUMULVXVAMWOCT-DTWKUNHWSA-N 2 2 170.256 0.056 10 0 ACAELP [NH3+]CC[N@H+]1CCC[C@H]2COC[C@H]21 575485877 352332756 /nfs/dbraw/zinc/33/27/56/352332756.db2.gz RUMULVXVAMWOCT-DTWKUNHWSA-N 2 2 170.256 0.056 10 0 ACAELP C[C@H]([NH3+])C[N@H+]1CCC[C@H]2COC[C@H]21 575485742 352332788 /nfs/dbraw/zinc/33/27/88/352332788.db2.gz QQKLXPCWTXOMNS-LPEHRKFASA-N 2 2 184.283 0.444 10 0 ACAELP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]2COC[C@H]21 575485743 352332820 /nfs/dbraw/zinc/33/28/20/352332820.db2.gz QQKLXPCWTXOMNS-OPRDCNLKSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]2COC[C@H]21 575485743 352332822 /nfs/dbraw/zinc/33/28/22/352332822.db2.gz QQKLXPCWTXOMNS-OPRDCNLKSA-N 2 2 184.283 0.444 10 0 ACAELP [NH3+]CC[N@@H+]1CCC[C@@H]2COC[C@H]21 575485879 352332835 /nfs/dbraw/zinc/33/28/35/352332835.db2.gz RUMULVXVAMWOCT-RKDXNWHRSA-N 2 2 170.256 0.056 10 0 ACAELP [NH3+]CC[N@H+]1CCC[C@@H]2COC[C@H]21 575485879 352332837 /nfs/dbraw/zinc/33/28/37/352332837.db2.gz RUMULVXVAMWOCT-RKDXNWHRSA-N 2 2 170.256 0.056 10 0 ACAELP [NH3+]CC[N@@H+]1CCC[C@H]2COC[C@@H]21 575485878 352332867 /nfs/dbraw/zinc/33/28/67/352332867.db2.gz RUMULVXVAMWOCT-IUCAKERBSA-N 2 2 170.256 0.056 10 0 ACAELP [NH3+]CC[N@H+]1CCC[C@H]2COC[C@@H]21 575485878 352332870 /nfs/dbraw/zinc/33/28/70/352332870.db2.gz RUMULVXVAMWOCT-IUCAKERBSA-N 2 2 170.256 0.056 10 0 ACAELP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]2COC[C@@H]21 575485744 352332982 /nfs/dbraw/zinc/33/29/82/352332982.db2.gz QQKLXPCWTXOMNS-UTLUCORTSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]2COC[C@@H]21 575485744 352332986 /nfs/dbraw/zinc/33/29/86/352332986.db2.gz QQKLXPCWTXOMNS-UTLUCORTSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@@H]1COC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 575485902 352333439 /nfs/dbraw/zinc/33/34/39/352333439.db2.gz SNWWGFCTIRUUGT-OPRDCNLKSA-N 2 2 184.283 0.363 10 0 ACAELP C[C@@H]1COC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 575485901 352333449 /nfs/dbraw/zinc/33/34/49/352333449.db2.gz SNWWGFCTIRUUGT-KXUCPTDWSA-N 2 2 184.283 0.363 10 0 ACAELP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 575485900 352333517 /nfs/dbraw/zinc/33/35/17/352333517.db2.gz SNWWGFCTIRUUGT-BBBLOLIVSA-N 2 2 184.283 0.363 10 0 ACAELP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 575485903 352333704 /nfs/dbraw/zinc/33/37/04/352333704.db2.gz SNWWGFCTIRUUGT-UTLUCORTSA-N 2 2 184.283 0.363 10 0 ACAELP C[C@H](C[NH3+])[N@@H+]1CCC[C@H]2COC[C@@H]21 575486006 352334330 /nfs/dbraw/zinc/33/43/30/352334330.db2.gz TVSYKQHKYHCEDU-UTLUCORTSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H](C[NH3+])[N@H+]1CCC[C@H]2COC[C@@H]21 575486006 352334332 /nfs/dbraw/zinc/33/43/32/352334332.db2.gz TVSYKQHKYHCEDU-UTLUCORTSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H](C[NH3+])[N@@H+]1CCC[C@H]2COC[C@H]21 575486003 352334348 /nfs/dbraw/zinc/33/43/48/352334348.db2.gz TVSYKQHKYHCEDU-KXUCPTDWSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H](C[NH3+])[N@H+]1CCC[C@H]2COC[C@H]21 575486003 352334350 /nfs/dbraw/zinc/33/43/50/352334350.db2.gz TVSYKQHKYHCEDU-KXUCPTDWSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H](C[NH3+])[N@@H+]1CCC[C@@H]2COC[C@@H]21 575486002 352334442 /nfs/dbraw/zinc/33/44/42/352334442.db2.gz TVSYKQHKYHCEDU-BBBLOLIVSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H](C[NH3+])[N@H+]1CCC[C@@H]2COC[C@@H]21 575486002 352334444 /nfs/dbraw/zinc/33/44/44/352334444.db2.gz TVSYKQHKYHCEDU-BBBLOLIVSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H](C[NH3+])[N@@H+]1CC[C@H]2COC[C@@H]2C1 575486307 352335715 /nfs/dbraw/zinc/33/57/15/352335715.db2.gz VHVCOMCPGPIBLS-UTLUCORTSA-N 2 2 184.283 0.302 10 0 ACAELP C[C@H](C[NH3+])[N@H+]1CC[C@H]2COC[C@@H]2C1 575486307 352335716 /nfs/dbraw/zinc/33/57/16/352335716.db2.gz VHVCOMCPGPIBLS-UTLUCORTSA-N 2 2 184.283 0.302 10 0 ACAELP C[C@@H]1COC[C@H]1[N@@H+]1CC[C@H]1C[NH3+] 575486357 352335731 /nfs/dbraw/zinc/33/57/31/352335731.db2.gz GKQMICNNBHKPAR-HRDYMLBCSA-N 2 2 170.256 0.054 10 0 ACAELP C[C@@H]1COC[C@H]1[N@H+]1CC[C@H]1C[NH3+] 575486357 352335735 /nfs/dbraw/zinc/33/57/35/352335735.db2.gz GKQMICNNBHKPAR-HRDYMLBCSA-N 2 2 170.256 0.054 10 0 ACAELP C[N@@H+]1CCC[C@@H]1c1nc(C[NH3+])c[nH]1 575486253 352335750 /nfs/dbraw/zinc/33/57/50/352335750.db2.gz BCDNXVWMVMVAII-MRVPVSSYSA-N 2 2 180.255 0.635 10 0 ACAELP C[N@H+]1CCC[C@@H]1c1nc(C[NH3+])c[nH]1 575486253 352335754 /nfs/dbraw/zinc/33/57/54/352335754.db2.gz BCDNXVWMVMVAII-MRVPVSSYSA-N 2 2 180.255 0.635 10 0 ACAELP C[N@@H+]1CCC[C@@H]1c1ncc(C[NH3+])[nH]1 575486253 352335759 /nfs/dbraw/zinc/33/57/59/352335759.db2.gz BCDNXVWMVMVAII-MRVPVSSYSA-N 2 2 180.255 0.635 10 0 ACAELP C[N@H+]1CCC[C@@H]1c1ncc(C[NH3+])[nH]1 575486253 352335763 /nfs/dbraw/zinc/33/57/63/352335763.db2.gz BCDNXVWMVMVAII-MRVPVSSYSA-N 2 2 180.255 0.635 10 0 ACAELP C[C@H](C[NH3+])[N@@H+]1CC[C@H]2COC[C@H]2C1 575486301 352336323 /nfs/dbraw/zinc/33/63/23/352336323.db2.gz VHVCOMCPGPIBLS-KXUCPTDWSA-N 2 2 184.283 0.302 10 0 ACAELP C[C@H](C[NH3+])[N@@H+]1CC[C@@H]2COC[C@H]2C1 575486303 352336064 /nfs/dbraw/zinc/33/60/64/352336064.db2.gz VHVCOMCPGPIBLS-OPRDCNLKSA-N 2 2 184.283 0.302 10 0 ACAELP C[C@H](C[NH3+])[N@H+]1CC[C@@H]2COC[C@H]2C1 575486303 352336065 /nfs/dbraw/zinc/33/60/65/352336065.db2.gz VHVCOMCPGPIBLS-OPRDCNLKSA-N 2 2 184.283 0.302 10 0 ACAELP C[C@@H]1COC[C@@H]1[N@@H+]1CC[C@H]1C[NH3+] 575486363 352336134 /nfs/dbraw/zinc/33/61/34/352336134.db2.gz GKQMICNNBHKPAR-VGMNWLOBSA-N 2 2 170.256 0.054 10 0 ACAELP C[C@@H]1COC[C@@H]1[N@H+]1CC[C@H]1C[NH3+] 575486363 352336137 /nfs/dbraw/zinc/33/61/37/352336137.db2.gz GKQMICNNBHKPAR-VGMNWLOBSA-N 2 2 170.256 0.054 10 0 ACAELP C[N@@H+]1CCC[C@H]1c1nc(C[NH3+])c[nH]1 575486254 352336204 /nfs/dbraw/zinc/33/62/04/352336204.db2.gz BCDNXVWMVMVAII-QMMMGPOBSA-N 2 2 180.255 0.635 10 0 ACAELP C[N@H+]1CCC[C@H]1c1nc(C[NH3+])c[nH]1 575486254 352336209 /nfs/dbraw/zinc/33/62/09/352336209.db2.gz BCDNXVWMVMVAII-QMMMGPOBSA-N 2 2 180.255 0.635 10 0 ACAELP C[N@@H+]1CCC[C@H]1c1ncc(C[NH3+])[nH]1 575486254 352336211 /nfs/dbraw/zinc/33/62/11/352336211.db2.gz BCDNXVWMVMVAII-QMMMGPOBSA-N 2 2 180.255 0.635 10 0 ACAELP C[N@H+]1CCC[C@H]1c1ncc(C[NH3+])[nH]1 575486254 352336215 /nfs/dbraw/zinc/33/62/15/352336215.db2.gz BCDNXVWMVMVAII-QMMMGPOBSA-N 2 2 180.255 0.635 10 0 ACAELP C[C@@H]1COC[C@@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575486354 352336232 /nfs/dbraw/zinc/33/62/32/352336232.db2.gz GKQMICNNBHKPAR-HLTSFMKQSA-N 2 2 170.256 0.054 10 0 ACAELP C[C@@H]1COC[C@@H]1[N@H+]1CC[C@@H]1C[NH3+] 575486354 352336234 /nfs/dbraw/zinc/33/62/34/352336234.db2.gz GKQMICNNBHKPAR-HLTSFMKQSA-N 2 2 170.256 0.054 10 0 ACAELP C[C@@H]1COC[C@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575486360 352336246 /nfs/dbraw/zinc/33/62/46/352336246.db2.gz GKQMICNNBHKPAR-IWSPIJDZSA-N 2 2 170.256 0.054 10 0 ACAELP C[C@@H]1COC[C@H]1[N@H+]1CC[C@@H]1C[NH3+] 575486360 352336250 /nfs/dbraw/zinc/33/62/50/352336250.db2.gz GKQMICNNBHKPAR-IWSPIJDZSA-N 2 2 170.256 0.054 10 0 ACAELP C[C@H](C[NH3+])[N@H+]1CC[C@H]2COC[C@H]2C1 575486301 352336326 /nfs/dbraw/zinc/33/63/26/352336326.db2.gz VHVCOMCPGPIBLS-KXUCPTDWSA-N 2 2 184.283 0.302 10 0 ACAELP C[C@H](C[NH3+])[N@@H+]1CC[C@@H]2COC[C@@H]2C1 575486300 352336358 /nfs/dbraw/zinc/33/63/58/352336358.db2.gz VHVCOMCPGPIBLS-BBBLOLIVSA-N 2 2 184.283 0.302 10 0 ACAELP C[C@H](C[NH3+])[N@H+]1CC[C@@H]2COC[C@@H]2C1 575486300 352336361 /nfs/dbraw/zinc/33/63/61/352336361.db2.gz VHVCOMCPGPIBLS-BBBLOLIVSA-N 2 2 184.283 0.302 10 0 ACAELP C[NH2+]CC(C)(C)n1cc[nH+]c1 575487757 352344409 /nfs/dbraw/zinc/34/44/09/352344409.db2.gz VTSDFUMLXKLFFL-UHFFFAOYSA-N 2 2 153.229 0.838 10 0 ACAELP C1C[NH+](CC23CC(C[NH2+]2)C3)C1 575489659 352354602 /nfs/dbraw/zinc/35/46/02/352354602.db2.gz HNFOEEBRWALYGB-UHFFFAOYSA-N 2 2 152.241 0.444 10 0 ACAELP C1=CC[NH+](CC23CC(C[NH2+]2)C3)C1 575490365 352357619 /nfs/dbraw/zinc/35/76/19/352357619.db2.gz KVDVTDVBCOMYGV-UHFFFAOYSA-N 2 2 164.252 0.610 10 0 ACAELP C1C[NH+](CC23CC(C[NH2+]2)C3)CCS1 575490649 352358313 /nfs/dbraw/zinc/35/83/13/352358313.db2.gz QTWSTFGDNYRJFJ-UHFFFAOYSA-N 2 2 198.335 0.787 10 0 ACAELP C[NH2+]CC[N@H+]1CC[C@H]2C[C@H]2C1 575500918 352409545 /nfs/dbraw/zinc/40/95/45/352409545.db2.gz WEFMWQIWXHVOFB-IUCAKERBSA-N 2 2 154.257 0.548 10 0 ACAELP C[C@@H]1C[N@@H+](C[C@@H]2CC2(F)F)C[C@@H]1[NH3+] 575493013 352370226 /nfs/dbraw/zinc/37/02/26/352370226.db2.gz LAIAXBXXGYYIPZ-CSMHCCOUSA-N 2 2 190.237 0.921 10 0 ACAELP C[C@@H]1C[N@H+](C[C@H]2CC2(F)F)C[C@@H]1[NH3+] 575493015 352370182 /nfs/dbraw/zinc/37/01/82/352370182.db2.gz LAIAXBXXGYYIPZ-PRJMDXOYSA-N 2 2 190.237 0.921 10 0 ACAELP C[C@@H]1C[N@@H+](C[C@H]2CC2(F)F)C[C@@H]1[NH3+] 575493015 352370183 /nfs/dbraw/zinc/37/01/83/352370183.db2.gz LAIAXBXXGYYIPZ-PRJMDXOYSA-N 2 2 190.237 0.921 10 0 ACAELP C[C@@H]1C[N@H+](C[C@@H]2CC2(F)F)C[C@@H]1[NH3+] 575493013 352370224 /nfs/dbraw/zinc/37/02/24/352370224.db2.gz LAIAXBXXGYYIPZ-CSMHCCOUSA-N 2 2 190.237 0.921 10 0 ACAELP C[C@@H]1C[N@H+](C[C@@H]2CC2(F)F)C[C@H]1[NH3+] 575493014 352370256 /nfs/dbraw/zinc/37/02/56/352370256.db2.gz LAIAXBXXGYYIPZ-GJMOJQLCSA-N 2 2 190.237 0.921 10 0 ACAELP C[C@@H]1C[N@@H+](C[C@@H]2CC2(F)F)C[C@H]1[NH3+] 575493014 352370260 /nfs/dbraw/zinc/37/02/60/352370260.db2.gz LAIAXBXXGYYIPZ-GJMOJQLCSA-N 2 2 190.237 0.921 10 0 ACAELP C[C@@H]1C[N@H+](C[C@H]2CC2(F)F)C[C@H]1[NH3+] 575493012 352370379 /nfs/dbraw/zinc/37/03/79/352370379.db2.gz LAIAXBXXGYYIPZ-BWZBUEFSSA-N 2 2 190.237 0.921 10 0 ACAELP C[C@@H]1C[N@@H+](C[C@H]2CC2(F)F)C[C@H]1[NH3+] 575493012 352370380 /nfs/dbraw/zinc/37/03/80/352370380.db2.gz LAIAXBXXGYYIPZ-BWZBUEFSSA-N 2 2 190.237 0.921 10 0 ACAELP CC1C[NH+]([C@]2(C[NH3+])CCOC2)C1 575493383 352372056 /nfs/dbraw/zinc/37/20/56/352372056.db2.gz AVDJLMKYVFNDPB-VIFPVBQESA-N 2 2 170.256 0.056 10 0 ACAELP CC1C[NH+]([C@@]2(C[NH3+])CCO[C@@H]2C)C1 575493414 352372085 /nfs/dbraw/zinc/37/20/85/352372085.db2.gz BZERMBBRWBAGBD-NXEZZACHSA-N 2 2 184.283 0.444 10 0 ACAELP CC1C[NH+]([C@]2(C[NH3+])CCO[C@H]2C)C1 575493418 352372135 /nfs/dbraw/zinc/37/21/35/352372135.db2.gz BZERMBBRWBAGBD-UWVGGRQHSA-N 2 2 184.283 0.444 10 0 ACAELP CC1C[NH+]([C@@]2(C[NH3+])CCOC2)C1 575493381 352372270 /nfs/dbraw/zinc/37/22/70/352372270.db2.gz AVDJLMKYVFNDPB-SECBINFHSA-N 2 2 170.256 0.056 10 0 ACAELP 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/nfs/dbraw/zinc/41/77/95/352417795.db2.gz WFSRMIQPWDXLSR-VHSXEESVSA-N 2 2 166.268 0.999 10 0 ACAELP C[N@H+]1CC[C@@H]([NH2+][C@H]2C=CCC2)C1 575502494 352417797 /nfs/dbraw/zinc/41/77/97/352417797.db2.gz WFSRMIQPWDXLSR-VHSXEESVSA-N 2 2 166.268 0.999 10 0 ACAELP [NH3+][C@H]1CC[N@@H+]([C@@H]2C=CCC2)C1 575503198 352420712 /nfs/dbraw/zinc/42/07/12/352420712.db2.gz GLPFULXIQVUXGP-DTWKUNHWSA-N 2 2 152.241 0.738 10 0 ACAELP [NH3+][C@H]1CC[N@H+]([C@@H]2C=CCC2)C1 575503198 352420714 /nfs/dbraw/zinc/42/07/14/352420714.db2.gz GLPFULXIQVUXGP-DTWKUNHWSA-N 2 2 152.241 0.738 10 0 ACAELP [NH3+][C@@H]1CC[N@@H+]([C@H]2C=CCC2)C1 575503197 352420861 /nfs/dbraw/zinc/42/08/61/352420861.db2.gz GLPFULXIQVUXGP-BDAKNGLRSA-N 2 2 152.241 0.738 10 0 ACAELP [NH3+][C@@H]1CC[N@H+]([C@H]2C=CCC2)C1 575503197 352420864 /nfs/dbraw/zinc/42/08/64/352420864.db2.gz GLPFULXIQVUXGP-BDAKNGLRSA-N 2 2 152.241 0.738 10 0 ACAELP [NH3+][C@H]1CC[N@@H+]([C@H]2C=CCC2)C1 575503199 352420939 /nfs/dbraw/zinc/42/09/39/352420939.db2.gz GLPFULXIQVUXGP-IUCAKERBSA-N 2 2 152.241 0.738 10 0 ACAELP [NH3+][C@H]1CC[N@H+]([C@H]2C=CCC2)C1 575503199 352420940 /nfs/dbraw/zinc/42/09/40/352420940.db2.gz GLPFULXIQVUXGP-IUCAKERBSA-N 2 2 152.241 0.738 10 0 ACAELP [NH3+][C@@H]1CC[N@@H+]([C@@H]2C=CCC2)C1 575503200 352420981 /nfs/dbraw/zinc/42/09/81/352420981.db2.gz GLPFULXIQVUXGP-RKDXNWHRSA-N 2 2 152.241 0.738 10 0 ACAELP [NH3+][C@@H]1CC[N@H+]([C@@H]2C=CCC2)C1 575503200 352420982 /nfs/dbraw/zinc/42/09/82/352420982.db2.gz GLPFULXIQVUXGP-RKDXNWHRSA-N 2 2 152.241 0.738 10 0 ACAELP C[NH2+][C@@H]1CC[N@@H+]([C@H]2C=CCC2)C1 575503434 352422144 /nfs/dbraw/zinc/42/21/44/352422144.db2.gz PIHJWFRFLCMVFO-ZJUUUORDSA-N 2 2 166.268 0.999 10 0 ACAELP C[NH2+][C@@H]1CC[N@H+]([C@H]2C=CCC2)C1 575503434 352422149 /nfs/dbraw/zinc/42/21/49/352422149.db2.gz PIHJWFRFLCMVFO-ZJUUUORDSA-N 2 2 166.268 0.999 10 0 ACAELP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2C=CCC2)C1 575503431 352422471 /nfs/dbraw/zinc/42/24/71/352422471.db2.gz PIHJWFRFLCMVFO-NXEZZACHSA-N 2 2 166.268 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575506124 352433913 /nfs/dbraw/zinc/43/39/13/352433913.db2.gz FMYPUJPWSYUUHY-MRVPVSSYSA-N 2 2 140.230 0.300 10 0 ACAELP CC1C[NH+](C[C@@H]2CC[NH2+]2)C1 575506125 352434011 /nfs/dbraw/zinc/43/40/11/352434011.db2.gz FMYPUJPWSYUUHY-QMMMGPOBSA-N 2 2 140.230 0.300 10 0 ACAELP C[NH2+][C@@H]1CO[C@H](c2c[nH+]cn2C)C1 575506243 352434303 /nfs/dbraw/zinc/43/43/03/352434303.db2.gz DIZMUAMOHXHYBW-CBAPKCEASA-N 2 2 181.239 0.470 10 0 ACAELP C[NH2+][C@H]1CO[C@@H](c2c[nH+]cn2C)C1 575506245 352434589 /nfs/dbraw/zinc/43/45/89/352434589.db2.gz DIZMUAMOHXHYBW-VXNVDRBHSA-N 2 2 181.239 0.470 10 0 ACAELP C[NH2+][C@@H]1CO[C@@H](c2c[nH+]cn2C)C1 575506244 352434688 /nfs/dbraw/zinc/43/46/88/352434688.db2.gz DIZMUAMOHXHYBW-IONNQARKSA-N 2 2 181.239 0.470 10 0 ACAELP C[NH2+][C@H]1CO[C@H](c2c[nH+]cn2C)C1 575506241 352434699 /nfs/dbraw/zinc/43/46/99/352434699.db2.gz DIZMUAMOHXHYBW-APPZFPTMSA-N 2 2 181.239 0.470 10 0 ACAELP CCn1c[nH+]cc1[C@@H]1C[C@@H]([NH3+])CO1 575506973 352438123 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/nfs/dbraw/zinc/43/93/34/352439334.db2.gz DEDMMUZSRNWZKW-LPEHRKFASA-N 2 2 184.283 0.587 10 0 ACAELP CC[C@@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])C2)CO1 575507057 352439339 /nfs/dbraw/zinc/43/93/39/352439339.db2.gz DEDMMUZSRNWZKW-LPEHRKFASA-N 2 2 184.283 0.587 10 0 ACAELP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)CO1 575507056 352439509 /nfs/dbraw/zinc/43/95/09/352439509.db2.gz DEDMMUZSRNWZKW-KXUCPTDWSA-N 2 2 184.283 0.587 10 0 ACAELP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])C2)CO1 575507056 352439511 /nfs/dbraw/zinc/43/95/11/352439511.db2.gz DEDMMUZSRNWZKW-KXUCPTDWSA-N 2 2 184.283 0.587 10 0 ACAELP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)CO1 575507054 352439552 /nfs/dbraw/zinc/43/95/52/352439552.db2.gz DEDMMUZSRNWZKW-IVZWLZJFSA-N 2 2 184.283 0.587 10 0 ACAELP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H]([NH3+])C2)CO1 575507054 352439554 /nfs/dbraw/zinc/43/95/54/352439554.db2.gz DEDMMUZSRNWZKW-IVZWLZJFSA-N 2 2 184.283 0.587 10 0 ACAELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH3+])CO1 575507552 352441543 /nfs/dbraw/zinc/44/15/43/352441543.db2.gz IHVSBHKYMBPLQV-POYBYMJQSA-N 2 2 167.212 0.209 10 0 ACAELP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH3+])CO1 575507545 352441674 /nfs/dbraw/zinc/44/16/74/352441674.db2.gz IHVSBHKYMBPLQV-HTRCEHHLSA-N 2 2 167.212 0.209 10 0 ACAELP CC1C[NH+](CC23CC(C[NH2+]2)C3)C1 575507528 352441769 /nfs/dbraw/zinc/44/17/69/352441769.db2.gz XGZRRXBDLCNWBR-UHFFFAOYSA-N 2 2 166.268 0.690 10 0 ACAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH3+])CO1 575507810 352443919 /nfs/dbraw/zinc/44/39/19/352443919.db2.gz IHVSBHKYMBPLQV-XPUUQOCRSA-N 2 2 167.212 0.209 10 0 ACAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH3+])CO1 575507808 352444022 /nfs/dbraw/zinc/44/40/22/352444022.db2.gz IHVSBHKYMBPLQV-SVRRBLITSA-N 2 2 167.212 0.209 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[NH+]1CC2(COC2)C1 575508353 352446782 /nfs/dbraw/zinc/44/67/82/352446782.db2.gz MRSTVEUTQORDEI-JGVFFNPUSA-N 2 2 170.256 0.054 10 0 ACAELP C[C@@H]([NH3+])[C@@H](C)[NH+]1CC2(COC2)C1 575508350 352446815 /nfs/dbraw/zinc/44/68/15/352446815.db2.gz MRSTVEUTQORDEI-HTQZYQBOSA-N 2 2 170.256 0.054 10 0 ACAELP C[C@H]([NH3+])[C@H](C)[NH+]1CC2(COC2)C1 575508359 352447057 /nfs/dbraw/zinc/44/70/57/352447057.db2.gz MRSTVEUTQORDEI-YUMQZZPRSA-N 2 2 170.256 0.054 10 0 ACAELP C[C@@H]([C@@H](C)[NH3+])[NH+]1CC2(COC2)C1 575508356 352447275 /nfs/dbraw/zinc/44/72/75/352447275.db2.gz MRSTVEUTQORDEI-SFYZADRCSA-N 2 2 170.256 0.054 10 0 ACAELP CC1C[NH+](C[C@@H]2[NH2+]CC[C@@H]2C)C1 575508669 352449003 /nfs/dbraw/zinc/44/90/03/352449003.db2.gz KBZDZMAHPFPLPJ-UWVGGRQHSA-N 2 2 168.284 0.936 10 0 ACAELP CC1C[NH+](C[C@H]2[NH2+]CC[C@H]2C)C1 575508666 352449012 /nfs/dbraw/zinc/44/90/12/352449012.db2.gz KBZDZMAHPFPLPJ-NXEZZACHSA-N 2 2 168.284 0.936 10 0 ACAELP CC1C[NH+](C[C@@H]2[NH2+]CC[C@H]2C)C1 575508673 352449119 /nfs/dbraw/zinc/44/91/19/352449119.db2.gz KBZDZMAHPFPLPJ-ZJUUUORDSA-N 2 2 168.284 0.936 10 0 ACAELP CC1C[NH+](C[C@H]2[NH2+]CC[C@@H]2C)C1 575508671 352449136 /nfs/dbraw/zinc/44/91/36/352449136.db2.gz KBZDZMAHPFPLPJ-VHSXEESVSA-N 2 2 168.284 0.936 10 0 ACAELP [NH3+][C@H]1CCC[C@H]1[NH+]1CC2(COC2)C1 575509146 352451749 /nfs/dbraw/zinc/45/17/49/352451749.db2.gz VURHKYWPTQYLOK-DTWKUNHWSA-N 2 2 182.267 0.198 10 0 ACAELP [NH3+][C@@H]1CCC[C@H]1[NH+]1CC2(COC2)C1 575509154 352452069 /nfs/dbraw/zinc/45/20/69/352452069.db2.gz VURHKYWPTQYLOK-RKDXNWHRSA-N 2 2 182.267 0.198 10 0 ACAELP C[C@H]1C[C@@H](NC2C[NH+](C)C2)CC[NH2+]1 575510987 352463074 /nfs/dbraw/zinc/46/30/74/352463074.db2.gz ABYBYDPOHOVYCK-IUCAKERBSA-N 2 2 183.299 0.031 10 0 ACAELP C[C@H]1C[C@H](NC2C[NH+](C)C2)CC[NH2+]1 575510982 352463141 /nfs/dbraw/zinc/46/31/41/352463141.db2.gz ABYBYDPOHOVYCK-DTWKUNHWSA-N 2 2 183.299 0.031 10 0 ACAELP C[C@@H]1C[C@@H](NC2C[NH+](C)C2)CC[NH2+]1 575510980 352463150 /nfs/dbraw/zinc/46/31/50/352463150.db2.gz ABYBYDPOHOVYCK-BDAKNGLRSA-N 2 2 183.299 0.031 10 0 ACAELP C[C@@H]1C[C@H](NC2C[NH+](C)C2)CC[NH2+]1 575510990 352463160 /nfs/dbraw/zinc/46/31/60/352463160.db2.gz ABYBYDPOHOVYCK-RKDXNWHRSA-N 2 2 183.299 0.031 10 0 ACAELP C[C@@H]1C[C@H]([NH2+]C2COC2)CC[NH2+]1 575511010 352463186 /nfs/dbraw/zinc/46/31/86/352463186.db2.gz ALVCMDJVSDGEJO-HTQZYQBOSA-N 2 2 170.256 0.115 10 0 ACAELP C[C@@H]1C[C@@H]([NH2+]C2COC2)CC[NH2+]1 575511015 352463603 /nfs/dbraw/zinc/46/36/03/352463603.db2.gz ALVCMDJVSDGEJO-SFYZADRCSA-N 2 2 170.256 0.115 10 0 ACAELP C[C@H]1C[C@H]([NH2+]C2COC2)CC[NH2+]1 575511014 352463784 /nfs/dbraw/zinc/46/37/84/352463784.db2.gz ALVCMDJVSDGEJO-JGVFFNPUSA-N 2 2 170.256 0.115 10 0 ACAELP C[C@H]1C[C@@H]([NH2+]C2COC2)CC[NH2+]1 575511017 352463977 /nfs/dbraw/zinc/46/39/77/352463977.db2.gz ALVCMDJVSDGEJO-YUMQZZPRSA-N 2 2 170.256 0.115 10 0 ACAELP CC[C@H]([NH3+])Cc1[nH]cc(C)[nH+]1 575514067 352482345 /nfs/dbraw/zinc/48/23/45/352482345.db2.gz PUCCVXZYUGIRLD-ZETCQYMHSA-N 2 2 153.229 0.998 10 0 ACAELP Cc1[nH+]cc([C@H]2CC[NH2+]2)n1C 575511457 352465938 /nfs/dbraw/zinc/46/59/38/352465938.db2.gz SUKFOWNYYPEKNW-SSDOTTSWSA-N 2 2 151.213 0.763 10 0 ACAELP C[C@H]1C[C@H]([NH+]2CC(C)(O)C2)CC[NH2+]1 575511409 352465974 /nfs/dbraw/zinc/46/59/74/352465974.db2.gz DUTXNFKQGADHPX-DTWKUNHWSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1C[C@H]([NH+]2CC(C)(O)C2)CC[NH2+]1 575511411 352466038 /nfs/dbraw/zinc/46/60/38/352466038.db2.gz DUTXNFKQGADHPX-RKDXNWHRSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]1C[C@@H]([NH+]2CC(C)(O)C2)CC[NH2+]1 575511408 352466157 /nfs/dbraw/zinc/46/61/57/352466157.db2.gz DUTXNFKQGADHPX-BDAKNGLRSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@H]1C[C@@H]([NH+]2CC(C)(O)C2)CC[NH2+]1 575511410 352466222 /nfs/dbraw/zinc/46/62/22/352466222.db2.gz DUTXNFKQGADHPX-IUCAKERBSA-N 2 2 184.283 0.194 10 0 ACAELP Cc1[nH+]cc([C@@H]2CC[NH2+]2)n1C 575511458 352466291 /nfs/dbraw/zinc/46/62/91/352466291.db2.gz SUKFOWNYYPEKNW-ZETCQYMHSA-N 2 2 151.213 0.763 10 0 ACAELP C[C@@H]1CC[N@@H+]1C[C@@]1([NH3+])CCOC1 575511680 352467690 /nfs/dbraw/zinc/46/76/90/352467690.db2.gz VKRSFCVJBRPFJP-BDAKNGLRSA-N 2 2 170.256 0.198 10 0 ACAELP C[C@@H]1CC[N@H+]1C[C@@]1([NH3+])CCOC1 575511680 352467692 /nfs/dbraw/zinc/46/76/92/352467692.db2.gz VKRSFCVJBRPFJP-BDAKNGLRSA-N 2 2 170.256 0.198 10 0 ACAELP C[C@H]1CC[N@@H+]1C[C@]1([NH3+])CCOC1 575511681 352467904 /nfs/dbraw/zinc/46/79/04/352467904.db2.gz VKRSFCVJBRPFJP-DTWKUNHWSA-N 2 2 170.256 0.198 10 0 ACAELP C[C@H]1CC[N@H+]1C[C@]1([NH3+])CCOC1 575511681 352467906 /nfs/dbraw/zinc/46/79/06/352467906.db2.gz VKRSFCVJBRPFJP-DTWKUNHWSA-N 2 2 170.256 0.198 10 0 ACAELP C[C@H](C[NH3+])[NH+]1CCC(F)CC1 575511664 352467915 /nfs/dbraw/zinc/46/79/15/352467915.db2.gz UVOXXUFLXJXUHL-SSDOTTSWSA-N 2 2 160.236 0.768 10 0 ACAELP C[C@@H]1CC[N@@H+]1C[C@]1([NH3+])CCOC1 575511683 352467942 /nfs/dbraw/zinc/46/79/42/352467942.db2.gz VKRSFCVJBRPFJP-RKDXNWHRSA-N 2 2 170.256 0.198 10 0 ACAELP C[C@@H]1CC[N@H+]1C[C@]1([NH3+])CCOC1 575511683 352467944 /nfs/dbraw/zinc/46/79/44/352467944.db2.gz VKRSFCVJBRPFJP-RKDXNWHRSA-N 2 2 170.256 0.198 10 0 ACAELP C[C@@H](C[NH3+])[NH+]1CCC(F)CC1 575511665 352468073 /nfs/dbraw/zinc/46/80/73/352468073.db2.gz UVOXXUFLXJXUHL-ZETCQYMHSA-N 2 2 160.236 0.768 10 0 ACAELP C[C@H]1CC[N@@H+]1C[C@@]1([NH3+])CCOC1 575511682 352468096 /nfs/dbraw/zinc/46/80/96/352468096.db2.gz VKRSFCVJBRPFJP-IUCAKERBSA-N 2 2 170.256 0.198 10 0 ACAELP C[C@H]1CC[N@H+]1C[C@@]1([NH3+])CCOC1 575511682 352468100 /nfs/dbraw/zinc/46/81/00/352468100.db2.gz VKRSFCVJBRPFJP-IUCAKERBSA-N 2 2 170.256 0.198 10 0 ACAELP [NH3+][C@]1(C[NH+]2CC3(CC3)C2)CCOC1 575511831 352468576 /nfs/dbraw/zinc/46/85/76/352468576.db2.gz WOZHFTKPOJFVLJ-JTQLQIEISA-N 2 2 182.267 0.200 10 0 ACAELP CC1(C)C[C@@H]([NH2+]C2COC2)CC[NH2+]1 575511809 352468587 /nfs/dbraw/zinc/46/85/87/352468587.db2.gz JHJYIEILFCMUBR-QMMMGPOBSA-N 2 2 184.283 0.505 10 0 ACAELP CC1(C)C[C@H]([NH2+]C2COC2)CC[NH2+]1 575511808 352468600 /nfs/dbraw/zinc/46/86/00/352468600.db2.gz JHJYIEILFCMUBR-MRVPVSSYSA-N 2 2 184.283 0.505 10 0 ACAELP [NH3+][C@@]1(C[NH+]2CC3(CC3)C2)CCOC1 575511832 352468781 /nfs/dbraw/zinc/46/87/81/352468781.db2.gz WOZHFTKPOJFVLJ-SNVBAGLBSA-N 2 2 182.267 0.200 10 0 ACAELP Cn1c[nH+]cc1[C@H](F)CC[NH3+] 575511909 352469421 /nfs/dbraw/zinc/46/94/21/352469421.db2.gz AMTCHDBGJXJDEV-ZCFIWIBFSA-N 2 2 157.192 0.780 10 0 ACAELP Cn1c[nH+]cc1[C@@H](F)CC[NH3+] 575511904 352469455 /nfs/dbraw/zinc/46/94/55/352469455.db2.gz AMTCHDBGJXJDEV-LURJTMIESA-N 2 2 157.192 0.780 10 0 ACAELP Cn1c[nH+]cc1[C@]1(F)CCC[NH2+]C1 575512097 352470240 /nfs/dbraw/zinc/47/02/40/352470240.db2.gz FPRXNFNJTVRAGS-VIFPVBQESA-N 2 2 183.230 0.968 10 0 ACAELP CC1C[NH+](C[C@]2([NH3+])CCOC2)C1 575512094 352470296 /nfs/dbraw/zinc/47/02/96/352470296.db2.gz ZLZXTBCZYMNUNK-SECBINFHSA-N 2 2 170.256 0.056 10 0 ACAELP CC1C[NH+](C[C@@]2([NH3+])CCOC2)C1 575512095 352470376 /nfs/dbraw/zinc/47/03/76/352470376.db2.gz ZLZXTBCZYMNUNK-VIFPVBQESA-N 2 2 170.256 0.056 10 0 ACAELP Cn1c[nH+]cc1[C@@]1(F)CCC[NH2+]C1 575512083 352470413 /nfs/dbraw/zinc/47/04/13/352470413.db2.gz FPRXNFNJTVRAGS-SECBINFHSA-N 2 2 183.230 0.968 10 0 ACAELP C[C@@H]1C[C@]2(CC[NH2+]1)[NH2+]CCS2 575512160 352470765 /nfs/dbraw/zinc/47/07/65/352470765.db2.gz LFXQJFIFOHHFOV-HTQZYQBOSA-N 2 2 172.297 0.791 10 0 ACAELP C[C@H]1C[C@]2(CC[NH2+]1)[NH2+]CCS2 575512161 352470799 /nfs/dbraw/zinc/47/07/99/352470799.db2.gz LFXQJFIFOHHFOV-JGVFFNPUSA-N 2 2 172.297 0.791 10 0 ACAELP C[C@@H]1C[C@@]2(CC[NH2+]1)[NH2+]CCS2 575512162 352470834 /nfs/dbraw/zinc/47/08/34/352470834.db2.gz LFXQJFIFOHHFOV-SFYZADRCSA-N 2 2 172.297 0.791 10 0 ACAELP Cn1c[nH+]cc1[C@@]1([NH3+])CCCOC1 575512180 352470923 /nfs/dbraw/zinc/47/09/23/352470923.db2.gz GUOQKDTXKZWFEL-SECBINFHSA-N 2 2 181.239 0.385 10 0 ACAELP Cn1c[nH+]cc1[C@]1([NH3+])CCCOC1 575512181 352470957 /nfs/dbraw/zinc/47/09/57/352470957.db2.gz GUOQKDTXKZWFEL-VIFPVBQESA-N 2 2 181.239 0.385 10 0 ACAELP C[C@H]1C[C@@]2(CC[NH2+]1)[NH2+]CCS2 575512163 352470965 /nfs/dbraw/zinc/47/09/65/352470965.db2.gz LFXQJFIFOHHFOV-YUMQZZPRSA-N 2 2 172.297 0.791 10 0 ACAELP Cn1c[nH+]cc1C1([NH3+])CCOCC1 575512209 352470998 /nfs/dbraw/zinc/47/09/98/352470998.db2.gz IIRWOXCANIEAKY-UHFFFAOYSA-N 2 2 181.239 0.385 10 0 ACAELP [NH3+]CC1([NH+]2CCC(F)CC2)CC1 575512122 352471025 /nfs/dbraw/zinc/47/10/25/352471025.db2.gz ZUOORPSXEQBPGO-UHFFFAOYSA-N 2 2 172.247 0.912 10 0 ACAELP Cn1c[nH+]cc1C1(F)CC([NH3+])C1 575512168 352471084 /nfs/dbraw/zinc/47/10/84/352471084.db2.gz GDDNRYCFOUIUAI-UHFFFAOYSA-N 2 2 169.203 0.706 10 0 ACAELP Cn1c[nH+]cc1[C@](C)(F)C[NH3+] 575512234 352471732 /nfs/dbraw/zinc/47/17/32/352471732.db2.gz KAHFHWVMNGZOMV-SSDOTTSWSA-N 2 2 157.192 0.564 10 0 ACAELP Cn1c[nH+]cc1[C@@](C)(F)C[NH3+] 575512235 352471751 /nfs/dbraw/zinc/47/17/51/352471751.db2.gz KAHFHWVMNGZOMV-ZETCQYMHSA-N 2 2 157.192 0.564 10 0 ACAELP CC1(C)C[C@H]([NH+]2CC(O)C2)CC[NH2+]1 575512472 352472294 /nfs/dbraw/zinc/47/22/94/352472294.db2.gz OXQKXONDTBKTFI-MRVPVSSYSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]([NH3+])[C@@](C)(F)c1c[nH+]cn1C 575512483 352472381 /nfs/dbraw/zinc/47/23/81/352472381.db2.gz PGEWOLRDEFXVDT-HTRCEHHLSA-N 2 2 171.219 0.952 10 0 ACAELP CC1(C)C[C@@H]([NH+]2CC(O)C2)CC[NH2+]1 575512474 352472481 /nfs/dbraw/zinc/47/24/81/352472481.db2.gz OXQKXONDTBKTFI-QMMMGPOBSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@H]([NH3+])[C@@](C)(F)c1c[nH+]cn1C 575512488 352472946 /nfs/dbraw/zinc/47/29/46/352472946.db2.gz PGEWOLRDEFXVDT-POYBYMJQSA-N 2 2 171.219 0.952 10 0 ACAELP C[C@H]([NH3+])[C@](C)(F)c1c[nH+]cn1C 575512492 352473082 /nfs/dbraw/zinc/47/30/82/352473082.db2.gz PGEWOLRDEFXVDT-XPUUQOCRSA-N 2 2 171.219 0.952 10 0 ACAELP C[C@@H]([NH3+])[C@](C)(F)c1c[nH+]cn1C 575512490 352473147 /nfs/dbraw/zinc/47/31/47/352473147.db2.gz PGEWOLRDEFXVDT-SVRRBLITSA-N 2 2 171.219 0.952 10 0 ACAELP COC1C[NH+]([C@H]2CC[NH2+][C@@H](C)C2)C1 575512664 352473678 /nfs/dbraw/zinc/47/36/78/352473678.db2.gz RXIODXIYEHXKNF-IUCAKERBSA-N 2 2 184.283 0.458 10 0 ACAELP COC1C[NH+]([C@@H]2CC[NH2+][C@H](C)C2)C1 575512666 352473632 /nfs/dbraw/zinc/47/36/32/352473632.db2.gz RXIODXIYEHXKNF-RKDXNWHRSA-N 2 2 184.283 0.458 10 0 ACAELP COC1C[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 575512663 352473789 /nfs/dbraw/zinc/47/37/89/352473789.db2.gz RXIODXIYEHXKNF-DTWKUNHWSA-N 2 2 184.283 0.458 10 0 ACAELP Cn1c[nH+]cc1[C@@H](O)[C@@H]1CC[NH2+]C1 575512832 352474654 /nfs/dbraw/zinc/47/46/54/352474654.db2.gz WDBFNHJGBBQWNQ-APPZFPTMSA-N 2 2 181.239 0.063 10 0 ACAELP Cn1c[nH+]cc1[C@@H](O)[C@H]1CC[NH2+]C1 575512833 352474335 /nfs/dbraw/zinc/47/43/35/352474335.db2.gz WDBFNHJGBBQWNQ-CBAPKCEASA-N 2 2 181.239 0.063 10 0 ACAELP Cn1c[nH+]cc1[C@H](O)[C@@H]1CC[NH2+]C1 575512835 352474428 /nfs/dbraw/zinc/47/44/28/352474428.db2.gz WDBFNHJGBBQWNQ-VXNVDRBHSA-N 2 2 181.239 0.063 10 0 ACAELP Cn1c[nH+]cc1[C@H](O)[C@H]1CC[NH2+]C1 575512834 352474627 /nfs/dbraw/zinc/47/46/27/352474627.db2.gz WDBFNHJGBBQWNQ-IONNQARKSA-N 2 2 181.239 0.063 10 0 ACAELP [NH3+]C1(C[NH+]2CC3(COC3)C2)CCC1 575512868 352475126 /nfs/dbraw/zinc/47/51/26/352475126.db2.gz WLQSHDVLUHSLRF-UHFFFAOYSA-N 2 2 182.267 0.200 10 0 ACAELP Cn1c[nH+]cc1[C@@]1(F)CC[NH2+]C1 575512898 352475137 /nfs/dbraw/zinc/47/51/37/352475137.db2.gz XMGAPJOHAYUBNI-MRVPVSSYSA-N 2 2 169.203 0.578 10 0 ACAELP Cn1c[nH+]cc1[C@]1(F)CC[NH2+]C1 575512901 352475316 /nfs/dbraw/zinc/47/53/16/352475316.db2.gz XMGAPJOHAYUBNI-QMMMGPOBSA-N 2 2 169.203 0.578 10 0 ACAELP CC(C)([NH3+])C[NH+]1CC2(COC2)C1 575512874 352475324 /nfs/dbraw/zinc/47/53/24/352475324.db2.gz WOFWMAMNKZAHOQ-UHFFFAOYSA-N 2 2 170.256 0.056 10 0 ACAELP [NH3+]C[C@H]1CC[N@@H+]1[C@@H]1CCSC1 575513455 352477705 /nfs/dbraw/zinc/47/77/05/352477705.db2.gz CHHNHTONJSVGDP-HTQZYQBOSA-N 2 2 172.297 0.525 10 0 ACAELP [NH3+]C[C@H]1CC[N@H+]1[C@@H]1CCSC1 575513455 352477707 /nfs/dbraw/zinc/47/77/07/352477707.db2.gz CHHNHTONJSVGDP-HTQZYQBOSA-N 2 2 172.297 0.525 10 0 ACAELP C[C@@H]1C[NH+](C2(C[NH3+])COC2)C[C@H]1C 575513494 352477732 /nfs/dbraw/zinc/47/77/32/352477732.db2.gz BYWJSGJFLFHMOX-RKDXNWHRSA-N 2 2 184.283 0.302 10 0 ACAELP C[C@@H]1OCC[C@]1(C)[N@@H+]1CC[C@@H]1C[NH3+] 575513390 352477745 /nfs/dbraw/zinc/47/77/45/352477745.db2.gz AUCFKIQLIBQQMZ-AEJSXWLSSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1OCC[C@]1(C)[N@H+]1CC[C@@H]1C[NH3+] 575513390 352477746 /nfs/dbraw/zinc/47/77/46/352477746.db2.gz AUCFKIQLIBQQMZ-AEJSXWLSSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@H]1C[NH+](C2(C[NH3+])COC2)C[C@@H]1C 575513493 352477817 /nfs/dbraw/zinc/47/78/17/352477817.db2.gz BYWJSGJFLFHMOX-IUCAKERBSA-N 2 2 184.283 0.302 10 0 ACAELP C[C@@H]1C[N@H+](C2(C[NH3+])COC2)C[C@@H]1C 575513492 352477832 /nfs/dbraw/zinc/47/78/32/352477832.db2.gz BYWJSGJFLFHMOX-DTORHVGOSA-N 2 2 184.283 0.302 10 0 ACAELP C[C@@H]1C[N@@H+](C2(C[NH3+])COC2)C[C@@H]1C 575513492 352477834 /nfs/dbraw/zinc/47/78/34/352477834.db2.gz BYWJSGJFLFHMOX-DTORHVGOSA-N 2 2 184.283 0.302 10 0 ACAELP C[C@@H]1OCC[C@@]1(C)[N@@H+]1CC[C@@H]1C[NH3+] 575513392 352477845 /nfs/dbraw/zinc/47/78/45/352477845.db2.gz AUCFKIQLIBQQMZ-IVZWLZJFSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1OCC[C@@]1(C)[N@H+]1CC[C@@H]1C[NH3+] 575513392 352477847 /nfs/dbraw/zinc/47/78/47/352477847.db2.gz AUCFKIQLIBQQMZ-IVZWLZJFSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1OCC[C@]1(C)[N@@H+]1CC[C@H]1C[NH3+] 575513391 352478103 /nfs/dbraw/zinc/47/81/03/352478103.db2.gz AUCFKIQLIBQQMZ-GUBZILKMSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1OCC[C@]1(C)[N@H+]1CC[C@H]1C[NH3+] 575513391 352478105 /nfs/dbraw/zinc/47/81/05/352478105.db2.gz AUCFKIQLIBQQMZ-GUBZILKMSA-N 2 2 184.283 0.587 10 0 ACAELP C[N@H+](CC(C)(C)[NH3+])C1CSC1 575513401 352478122 /nfs/dbraw/zinc/47/81/22/352478122.db2.gz AVLMSCOHUWPMSN-UHFFFAOYSA-N 2 2 174.313 0.771 10 0 ACAELP C[N@@H+](CC(C)(C)[NH3+])C1CSC1 575513401 352478127 /nfs/dbraw/zinc/47/81/27/352478127.db2.gz AVLMSCOHUWPMSN-UHFFFAOYSA-N 2 2 174.313 0.771 10 0 ACAELP C[C@@H]1OCC[C@@]1(C)[N@@H+]1CC[C@H]1C[NH3+] 575513393 352478314 /nfs/dbraw/zinc/47/83/14/352478314.db2.gz AUCFKIQLIBQQMZ-LPEHRKFASA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1OCC[C@@]1(C)[N@H+]1CC[C@H]1C[NH3+] 575513393 352478320 /nfs/dbraw/zinc/47/83/20/352478320.db2.gz AUCFKIQLIBQQMZ-LPEHRKFASA-N 2 2 184.283 0.587 10 0 ACAELP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]2C[NH3+])CS1 575513555 352478712 /nfs/dbraw/zinc/47/87/12/352478712.db2.gz CMLXQHIKSBWPQN-VGMNWLOBSA-N 2 2 186.324 0.913 10 0 ACAELP C[NH2+]C[C@@H]1CC[N@@H+]1[C@H]1C[C@@H]1C 575513597 352478584 /nfs/dbraw/zinc/47/85/84/352478584.db2.gz CYRVBOVTPVDDOR-CIUDSAMLSA-N 2 2 154.257 0.689 10 0 ACAELP C[NH2+]C[C@@H]1CC[N@H+]1[C@H]1C[C@@H]1C 575513597 352478586 /nfs/dbraw/zinc/47/85/86/352478586.db2.gz CYRVBOVTPVDDOR-CIUDSAMLSA-N 2 2 154.257 0.689 10 0 ACAELP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]2C[NH3+])CS1 575513552 352478594 /nfs/dbraw/zinc/47/85/94/352478594.db2.gz CMLXQHIKSBWPQN-HLTSFMKQSA-N 2 2 186.324 0.913 10 0 ACAELP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]2C[NH3+])CS1 575513552 352478595 /nfs/dbraw/zinc/47/85/95/352478595.db2.gz CMLXQHIKSBWPQN-HLTSFMKQSA-N 2 2 186.324 0.913 10 0 ACAELP C[NH2+]C[C@@H]1CC[N@@H+]1[C@@H]1C[C@@H]1C 575513607 352478633 /nfs/dbraw/zinc/47/86/33/352478633.db2.gz CYRVBOVTPVDDOR-XHNCKOQMSA-N 2 2 154.257 0.689 10 0 ACAELP C[NH2+]C[C@@H]1CC[N@H+]1[C@@H]1C[C@@H]1C 575513607 352478635 /nfs/dbraw/zinc/47/86/35/352478635.db2.gz CYRVBOVTPVDDOR-XHNCKOQMSA-N 2 2 154.257 0.689 10 0 ACAELP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]2C[NH3+])CS1 575513553 352478656 /nfs/dbraw/zinc/47/86/56/352478656.db2.gz CMLXQHIKSBWPQN-HRDYMLBCSA-N 2 2 186.324 0.913 10 0 ACAELP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]2C[NH3+])CS1 575513553 352478657 /nfs/dbraw/zinc/47/86/57/352478657.db2.gz CMLXQHIKSBWPQN-HRDYMLBCSA-N 2 2 186.324 0.913 10 0 ACAELP C[C@@H]1C[C@H]([N@H+]2CC[C@H]2C[NH3+])CS1 575513555 352478715 /nfs/dbraw/zinc/47/87/15/352478715.db2.gz CMLXQHIKSBWPQN-VGMNWLOBSA-N 2 2 186.324 0.913 10 0 ACAELP C[NH2+]C[C@@H]1CC[N@@H+]1[C@@H]1C[C@H]1C 575513603 352478843 /nfs/dbraw/zinc/47/88/43/352478843.db2.gz CYRVBOVTPVDDOR-HRDYMLBCSA-N 2 2 154.257 0.689 10 0 ACAELP C[NH2+]C[C@@H]1CC[N@H+]1[C@@H]1C[C@H]1C 575513603 352478846 /nfs/dbraw/zinc/47/88/46/352478846.db2.gz CYRVBOVTPVDDOR-HRDYMLBCSA-N 2 2 154.257 0.689 10 0 ACAELP CC1CC([N@@H+]2CC[C@H]2C[NH3+])C1 575513540 352478875 /nfs/dbraw/zinc/47/88/75/352478875.db2.gz CIGILFLBXYMXNE-MGURRDGZSA-N 2 2 154.257 0.818 10 0 ACAELP CC1CC([N@H+]2CC[C@H]2C[NH3+])C1 575513540 352478879 /nfs/dbraw/zinc/47/88/79/352478879.db2.gz CIGILFLBXYMXNE-MGURRDGZSA-N 2 2 154.257 0.818 10 0 ACAELP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]2C[NH3+])CS1 575513554 352478886 /nfs/dbraw/zinc/47/88/86/352478886.db2.gz CMLXQHIKSBWPQN-IWSPIJDZSA-N 2 2 186.324 0.913 10 0 ACAELP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]2C[NH3+])CS1 575513554 352478888 /nfs/dbraw/zinc/47/88/88/352478888.db2.gz CMLXQHIKSBWPQN-IWSPIJDZSA-N 2 2 186.324 0.913 10 0 ACAELP [NH3+]C[C@@H]1CC[N@@H+]1[C@H]1CCSC1 575513537 352478909 /nfs/dbraw/zinc/47/89/09/352478909.db2.gz CHHNHTONJSVGDP-YUMQZZPRSA-N 2 2 172.297 0.525 10 0 ACAELP [NH3+]C[C@@H]1CC[N@H+]1[C@H]1CCSC1 575513537 352478912 /nfs/dbraw/zinc/47/89/12/352478912.db2.gz CHHNHTONJSVGDP-YUMQZZPRSA-N 2 2 172.297 0.525 10 0 ACAELP [NH3+]C[C@H]1CC[N@@H+]1[C@H]1CCSC1 575513536 352478928 /nfs/dbraw/zinc/47/89/28/352478928.db2.gz CHHNHTONJSVGDP-SFYZADRCSA-N 2 2 172.297 0.525 10 0 ACAELP [NH3+]C[C@H]1CC[N@H+]1[C@H]1CCSC1 575513536 352478930 /nfs/dbraw/zinc/47/89/30/352478930.db2.gz CHHNHTONJSVGDP-SFYZADRCSA-N 2 2 172.297 0.525 10 0 ACAELP [NH3+]C[C@@H]1CC[N@@H+]1[C@@H]1CCSC1 575513535 352479200 /nfs/dbraw/zinc/47/92/00/352479200.db2.gz CHHNHTONJSVGDP-JGVFFNPUSA-N 2 2 172.297 0.525 10 0 ACAELP [NH3+]C[C@@H]1CC[N@H+]1[C@@H]1CCSC1 575513535 352479205 /nfs/dbraw/zinc/47/92/05/352479205.db2.gz CHHNHTONJSVGDP-JGVFFNPUSA-N 2 2 172.297 0.525 10 0 ACAELP CC1CC([N@@H+]2CC[C@@H]2C[NH3+])C1 575513541 352479222 /nfs/dbraw/zinc/47/92/22/352479222.db2.gz CIGILFLBXYMXNE-QJAFJHJLSA-N 2 2 154.257 0.818 10 0 ACAELP CC1CC([N@H+]2CC[C@@H]2C[NH3+])C1 575513541 352479226 /nfs/dbraw/zinc/47/92/26/352479226.db2.gz CIGILFLBXYMXNE-QJAFJHJLSA-N 2 2 154.257 0.818 10 0 ACAELP C[NH2+]C[C@@H]1CC[N@@H+]1[C@H]1C[C@H]1C 575513605 352479262 /nfs/dbraw/zinc/47/92/62/352479262.db2.gz CYRVBOVTPVDDOR-VGMNWLOBSA-N 2 2 154.257 0.689 10 0 ACAELP C[NH2+]C[C@@H]1CC[N@H+]1[C@H]1C[C@H]1C 575513605 352479267 /nfs/dbraw/zinc/47/92/67/352479267.db2.gz CYRVBOVTPVDDOR-VGMNWLOBSA-N 2 2 154.257 0.689 10 0 ACAELP CC1([N@@H+]2CC[C@H]2C[NH3+])CC1 575513678 352479808 /nfs/dbraw/zinc/47/98/08/352479808.db2.gz FHJQWYMKJDWKIK-ZETCQYMHSA-N 2 2 140.230 0.572 10 0 ACAELP CC1([N@H+]2CC[C@H]2C[NH3+])CC1 575513678 352479810 /nfs/dbraw/zinc/47/98/10/352479810.db2.gz FHJQWYMKJDWKIK-ZETCQYMHSA-N 2 2 140.230 0.572 10 0 ACAELP CC1([N@@H+]2CC[C@@H]2C[NH3+])CC1 575513677 352479908 /nfs/dbraw/zinc/47/99/08/352479908.db2.gz FHJQWYMKJDWKIK-SSDOTTSWSA-N 2 2 140.230 0.572 10 0 ACAELP CC1([N@H+]2CC[C@@H]2C[NH3+])CC1 575513677 352479910 /nfs/dbraw/zinc/47/99/10/352479910.db2.gz FHJQWYMKJDWKIK-SSDOTTSWSA-N 2 2 140.230 0.572 10 0 ACAELP C[C@@H]1C[C@H]1[N@@H+]1CC[C@H]1C[NH3+] 575513672 352480027 /nfs/dbraw/zinc/48/00/27/352480027.db2.gz FCFOGYOZRTYSAJ-GJMOJQLCSA-N 2 2 140.230 0.428 10 0 ACAELP C[C@@H]1C[C@@H]1[N@@H+]1CC[C@H]1C[NH3+] 575513671 352479965 /nfs/dbraw/zinc/47/99/65/352479965.db2.gz FCFOGYOZRTYSAJ-CSMHCCOUSA-N 2 2 140.230 0.428 10 0 ACAELP C[C@@H]1C[C@@H]1[N@H+]1CC[C@H]1C[NH3+] 575513671 352479969 /nfs/dbraw/zinc/47/99/69/352479969.db2.gz FCFOGYOZRTYSAJ-CSMHCCOUSA-N 2 2 140.230 0.428 10 0 ACAELP C[C@@H]1C[C@H]1[N@H+]1CC[C@H]1C[NH3+] 575513672 352480031 /nfs/dbraw/zinc/48/00/31/352480031.db2.gz FCFOGYOZRTYSAJ-GJMOJQLCSA-N 2 2 140.230 0.428 10 0 ACAELP C[C@@H]1C[C@@H](C)[N@@H+](C2(C[NH3+])COC2)C1 575513841 352480428 /nfs/dbraw/zinc/48/04/28/352480428.db2.gz MZEFYWIEKGWXKZ-RKDXNWHRSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@@H]1C[C@@H](C)[N@H+](C2(C[NH3+])COC2)C1 575513841 352480430 /nfs/dbraw/zinc/48/04/30/352480430.db2.gz MZEFYWIEKGWXKZ-RKDXNWHRSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H]1C[C@@H](C)[N@@H+](C2(C[NH3+])COC2)C1 575513838 352480437 /nfs/dbraw/zinc/48/04/37/352480437.db2.gz MZEFYWIEKGWXKZ-DTWKUNHWSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H]1C[C@@H](C)[N@H+](C2(C[NH3+])COC2)C1 575513838 352480441 /nfs/dbraw/zinc/48/04/41/352480441.db2.gz MZEFYWIEKGWXKZ-DTWKUNHWSA-N 2 2 184.283 0.444 10 0 ACAELP 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KVHGQEFIUCFZAS-DTWKUNHWSA-N 2 2 184.283 0.444 10 0 ACAELP CC1(C)COC[C@@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575514546 352484481 /nfs/dbraw/zinc/48/44/81/352484481.db2.gz KVHGQEFIUCFZAS-BDAKNGLRSA-N 2 2 184.283 0.444 10 0 ACAELP CC1(C)COC[C@@H]1[N@H+]1CC[C@@H]1C[NH3+] 575514546 352484483 /nfs/dbraw/zinc/48/44/83/352484483.db2.gz KVHGQEFIUCFZAS-BDAKNGLRSA-N 2 2 184.283 0.444 10 0 ACAELP CC1(C)COC[C@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575514555 352484690 /nfs/dbraw/zinc/48/46/90/352484690.db2.gz KVHGQEFIUCFZAS-RKDXNWHRSA-N 2 2 184.283 0.444 10 0 ACAELP CC1(C)COC[C@H]1[N@H+]1CC[C@@H]1C[NH3+] 575514555 352484693 /nfs/dbraw/zinc/48/46/93/352484693.db2.gz KVHGQEFIUCFZAS-RKDXNWHRSA-N 2 2 184.283 0.444 10 0 ACAELP CC(C)(C[NH3+])[N@@H+]1CC[C@H](F)C1 575514754 352485101 /nfs/dbraw/zinc/48/51/01/352485101.db2.gz KMXYRYWKXFKWHY-ZETCQYMHSA-N 2 2 160.236 0.768 10 0 ACAELP CC(C)(C[NH3+])[N@H+]1CC[C@@H](F)C1 575514752 352485208 /nfs/dbraw/zinc/48/52/08/352485208.db2.gz KMXYRYWKXFKWHY-SSDOTTSWSA-N 2 2 160.236 0.768 10 0 ACAELP CC(C)(C[NH3+])[N@H+]1CC[C@H](F)C1 575514754 352485103 /nfs/dbraw/zinc/48/51/03/352485103.db2.gz KMXYRYWKXFKWHY-ZETCQYMHSA-N 2 2 160.236 0.768 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CC[C@@H](F)C1 575514655 352485106 /nfs/dbraw/zinc/48/51/06/352485106.db2.gz JMOANMRKXBLGBN-XLPZGREQSA-N 2 2 160.236 0.766 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1CC[C@@H](F)C1 575514655 352485108 /nfs/dbraw/zinc/48/51/08/352485108.db2.gz JMOANMRKXBLGBN-XLPZGREQSA-N 2 2 160.236 0.766 10 0 ACAELP Cc1cc[nH+]cc1N1CC[C@@H]1C[NH3+] 575514690 352485134 /nfs/dbraw/zinc/48/51/34/352485134.db2.gz LXMBEIYTWHGYRJ-SECBINFHSA-N 2 2 177.251 0.927 10 0 ACAELP CC1(C[N@@H+]2CC[C@@H]2C[NH3+])CC1 575514742 352485173 /nfs/dbraw/zinc/48/51/73/352485173.db2.gz MKNIFMGLMLMGTK-MRVPVSSYSA-N 2 2 154.257 0.820 10 0 ACAELP CC1(C[N@H+]2CC[C@@H]2C[NH3+])CC1 575514742 352485175 /nfs/dbraw/zinc/48/51/75/352485175.db2.gz MKNIFMGLMLMGTK-MRVPVSSYSA-N 2 2 154.257 0.820 10 0 ACAELP CC(C)(C[NH3+])[N@@H+]1CC[C@@H](F)C1 575514752 352485206 /nfs/dbraw/zinc/48/52/06/352485206.db2.gz KMXYRYWKXFKWHY-SSDOTTSWSA-N 2 2 160.236 0.768 10 0 ACAELP CC1(C[N@@H+]2CC[C@H]2C[NH3+])CC1 575514743 352485225 /nfs/dbraw/zinc/48/52/25/352485225.db2.gz MKNIFMGLMLMGTK-QMMMGPOBSA-N 2 2 154.257 0.820 10 0 ACAELP CC1(C[N@H+]2CC[C@H]2C[NH3+])CC1 575514743 352485226 /nfs/dbraw/zinc/48/52/26/352485226.db2.gz MKNIFMGLMLMGTK-QMMMGPOBSA-N 2 2 154.257 0.820 10 0 ACAELP Cc1cc[nH+]cc1N1CC[C@H]1C[NH3+] 575514695 352485241 /nfs/dbraw/zinc/48/52/41/352485241.db2.gz LXMBEIYTWHGYRJ-VIFPVBQESA-N 2 2 177.251 0.927 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CC[C@H](F)C1 575514653 352485284 /nfs/dbraw/zinc/48/52/84/352485284.db2.gz JMOANMRKXBLGBN-RNJXMRFFSA-N 2 2 160.236 0.766 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1CC[C@H](F)C1 575514653 352485286 /nfs/dbraw/zinc/48/52/86/352485286.db2.gz JMOANMRKXBLGBN-RNJXMRFFSA-N 2 2 160.236 0.766 10 0 ACAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CC[C@@H](F)C1 575514636 352485309 /nfs/dbraw/zinc/48/53/09/352485309.db2.gz JMOANMRKXBLGBN-BIIVOSGPSA-N 2 2 160.236 0.766 10 0 ACAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CC[C@H](F)C1 575514642 352485386 /nfs/dbraw/zinc/48/53/86/352485386.db2.gz JMOANMRKXBLGBN-FXQIFTODSA-N 2 2 160.236 0.766 10 0 ACAELP C[NH2+]C[C@H]1CC[N@@H+]1C(C)C 575514924 352485741 /nfs/dbraw/zinc/48/57/41/352485741.db2.gz MZQKKNHGZZPIOR-MRVPVSSYSA-N 2 2 142.246 0.689 10 0 ACAELP C[NH2+]C[C@H]1CC[N@H+]1C(C)C 575514924 352485743 /nfs/dbraw/zinc/48/57/43/352485743.db2.gz MZQKKNHGZZPIOR-MRVPVSSYSA-N 2 2 142.246 0.689 10 0 ACAELP Cc1c[nH+]cc(N2CC[C@H]2C[NH3+])c1 575514969 352485752 /nfs/dbraw/zinc/48/57/52/352485752.db2.gz NLBWCLYICOLHRO-VIFPVBQESA-N 2 2 177.251 0.927 10 0 ACAELP CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](F)C1 575514896 352485780 /nfs/dbraw/zinc/48/57/80/352485780.db2.gz KTIIRVLZRFOIKF-SFYZADRCSA-N 2 2 160.236 0.768 10 0 ACAELP CC[C@H]([NH3+])C[N@H+]1CC[C@@H](F)C1 575514896 352485782 /nfs/dbraw/zinc/48/57/82/352485782.db2.gz KTIIRVLZRFOIKF-SFYZADRCSA-N 2 2 160.236 0.768 10 0 ACAELP CC[C@@H]([NH3+])C[N@@H+]1CC[C@H](F)C1 575514779 352485798 /nfs/dbraw/zinc/48/57/98/352485798.db2.gz KTIIRVLZRFOIKF-JGVFFNPUSA-N 2 2 160.236 0.768 10 0 ACAELP CC[C@@H]([NH3+])C[N@H+]1CC[C@H](F)C1 575514779 352485800 /nfs/dbraw/zinc/48/58/00/352485800.db2.gz KTIIRVLZRFOIKF-JGVFFNPUSA-N 2 2 160.236 0.768 10 0 ACAELP Cc1[nH+]cccc1N1CC[C@H]1C[NH3+] 575514921 352485806 /nfs/dbraw/zinc/48/58/06/352485806.db2.gz MWALETQBKKYPCK-VIFPVBQESA-N 2 2 177.251 0.927 10 0 ACAELP Cc1ccc(N2CC[C@@H]2C[NH3+])c[nH+]1 575514973 352486056 /nfs/dbraw/zinc/48/60/56/352486056.db2.gz NLXJUFFISBLYSA-SECBINFHSA-N 2 2 177.251 0.927 10 0 ACAELP CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](F)C1 575514778 352486194 /nfs/dbraw/zinc/48/61/94/352486194.db2.gz KTIIRVLZRFOIKF-HTQZYQBOSA-N 2 2 160.236 0.768 10 0 ACAELP Cc1ccc(N2CC[C@H]2C[NH3+])c[nH+]1 575514974 352486148 /nfs/dbraw/zinc/48/61/48/352486148.db2.gz NLXJUFFISBLYSA-VIFPVBQESA-N 2 2 177.251 0.927 10 0 ACAELP Cc1c[nH+]cc(N2CC[C@@H]2C[NH3+])c1 575514965 352486188 /nfs/dbraw/zinc/48/61/88/352486188.db2.gz NLBWCLYICOLHRO-SECBINFHSA-N 2 2 177.251 0.927 10 0 ACAELP CC[C@@H]([NH3+])C[N@H+]1CC[C@@H](F)C1 575514778 352486198 /nfs/dbraw/zinc/48/61/98/352486198.db2.gz KTIIRVLZRFOIKF-HTQZYQBOSA-N 2 2 160.236 0.768 10 0 ACAELP C[NH2+]C[C@@H]1CC[N@@H+]1C(C)C 575514928 352486251 /nfs/dbraw/zinc/48/62/51/352486251.db2.gz MZQKKNHGZZPIOR-QMMMGPOBSA-N 2 2 142.246 0.689 10 0 ACAELP C[NH2+]C[C@@H]1CC[N@H+]1C(C)C 575514928 352486256 /nfs/dbraw/zinc/48/62/56/352486256.db2.gz MZQKKNHGZZPIOR-QMMMGPOBSA-N 2 2 142.246 0.689 10 0 ACAELP CC[C@H]([NH3+])C[N@@H+]1CC[C@H](F)C1 575514897 352486273 /nfs/dbraw/zinc/48/62/73/352486273.db2.gz KTIIRVLZRFOIKF-YUMQZZPRSA-N 2 2 160.236 0.768 10 0 ACAELP CC[C@H]([NH3+])C[N@H+]1CC[C@H](F)C1 575514897 352486275 /nfs/dbraw/zinc/48/62/75/352486275.db2.gz KTIIRVLZRFOIKF-YUMQZZPRSA-N 2 2 160.236 0.768 10 0 ACAELP Cc1[nH+]cccc1N1CC[C@@H]1C[NH3+] 575514920 352486289 /nfs/dbraw/zinc/48/62/89/352486289.db2.gz MWALETQBKKYPCK-SECBINFHSA-N 2 2 177.251 0.927 10 0 ACAELP CC1(C)SC[C@@H]1[N@@H+]1CC[C@H]1C[NH3+] 575515048 352486622 /nfs/dbraw/zinc/48/66/22/352486622.db2.gz OBEUYZGDHUILBB-YUMQZZPRSA-N 2 2 186.324 0.913 10 0 ACAELP CC1(C)SC[C@@H]1[N@H+]1CC[C@H]1C[NH3+] 575515048 352486625 /nfs/dbraw/zinc/48/66/25/352486625.db2.gz OBEUYZGDHUILBB-YUMQZZPRSA-N 2 2 186.324 0.913 10 0 ACAELP [NH3+]C[C@@H]1CC[N@@H+]1C1CCSCC1 575515075 352486669 /nfs/dbraw/zinc/48/66/69/352486669.db2.gz OGRPTBDXZQTOKR-VIFPVBQESA-N 2 2 186.324 0.915 10 0 ACAELP [NH3+]C[C@@H]1CC[N@H+]1C1CCSCC1 575515075 352486672 /nfs/dbraw/zinc/48/66/72/352486672.db2.gz OGRPTBDXZQTOKR-VIFPVBQESA-N 2 2 186.324 0.915 10 0 ACAELP CC1(C)SC[C@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575515031 352486691 /nfs/dbraw/zinc/48/66/91/352486691.db2.gz OBEUYZGDHUILBB-HTQZYQBOSA-N 2 2 186.324 0.913 10 0 ACAELP CC1(C)SC[C@H]1[N@H+]1CC[C@@H]1C[NH3+] 575515031 352486694 /nfs/dbraw/zinc/48/66/94/352486694.db2.gz OBEUYZGDHUILBB-HTQZYQBOSA-N 2 2 186.324 0.913 10 0 ACAELP [NH3+]C[C@H]1CC[N@@H+]1C1CCSCC1 575515073 352486716 /nfs/dbraw/zinc/48/67/16/352486716.db2.gz OGRPTBDXZQTOKR-SECBINFHSA-N 2 2 186.324 0.915 10 0 ACAELP [NH3+]C[C@H]1CC[N@H+]1C1CCSCC1 575515073 352486720 /nfs/dbraw/zinc/48/67/20/352486720.db2.gz OGRPTBDXZQTOKR-SECBINFHSA-N 2 2 186.324 0.915 10 0 ACAELP CC1(C)SC[C@@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575515044 352486762 /nfs/dbraw/zinc/48/67/62/352486762.db2.gz OBEUYZGDHUILBB-SFYZADRCSA-N 2 2 186.324 0.913 10 0 ACAELP CC1(C)SC[C@@H]1[N@H+]1CC[C@@H]1C[NH3+] 575515044 352486767 /nfs/dbraw/zinc/48/67/67/352486767.db2.gz OBEUYZGDHUILBB-SFYZADRCSA-N 2 2 186.324 0.913 10 0 ACAELP CC1(C)SC[C@H]1[N@@H+]1CC[C@H]1C[NH3+] 575515033 352486978 /nfs/dbraw/zinc/48/69/78/352486978.db2.gz OBEUYZGDHUILBB-JGVFFNPUSA-N 2 2 186.324 0.913 10 0 ACAELP CC1(C)SC[C@H]1[N@H+]1CC[C@H]1C[NH3+] 575515033 352486980 /nfs/dbraw/zinc/48/69/80/352486980.db2.gz OBEUYZGDHUILBB-JGVFFNPUSA-N 2 2 186.324 0.913 10 0 ACAELP CC[C@@H]1C[C@@H]1[N@@H+]1CC[C@H]1C[NH3+] 575515304 352488035 /nfs/dbraw/zinc/48/80/35/352488035.db2.gz PXTQOAIQTFSCDG-VGMNWLOBSA-N 2 2 154.257 0.818 10 0 ACAELP CC[C@@H]1C[C@@H]1[N@H+]1CC[C@H]1C[NH3+] 575515304 352488036 /nfs/dbraw/zinc/48/80/36/352488036.db2.gz PXTQOAIQTFSCDG-VGMNWLOBSA-N 2 2 154.257 0.818 10 0 ACAELP CC[C@@H]1C[C@H]1[N@@H+]1CC[C@H]1C[NH3+] 575515299 352488053 /nfs/dbraw/zinc/48/80/53/352488053.db2.gz PXTQOAIQTFSCDG-HRDYMLBCSA-N 2 2 154.257 0.818 10 0 ACAELP CC[C@@H]1C[C@H]1[N@H+]1CC[C@H]1C[NH3+] 575515299 352488055 /nfs/dbraw/zinc/48/80/55/352488055.db2.gz PXTQOAIQTFSCDG-HRDYMLBCSA-N 2 2 154.257 0.818 10 0 ACAELP CC[C@@H]1C[C@@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575515296 352488077 /nfs/dbraw/zinc/48/80/77/352488077.db2.gz PXTQOAIQTFSCDG-HLTSFMKQSA-N 2 2 154.257 0.818 10 0 ACAELP CC[C@@H]1C[C@@H]1[N@H+]1CC[C@@H]1C[NH3+] 575515296 352488080 /nfs/dbraw/zinc/48/80/80/352488080.db2.gz PXTQOAIQTFSCDG-HLTSFMKQSA-N 2 2 154.257 0.818 10 0 ACAELP [NH3+]C[C@@H]1CC[N@@H+]1[C@H]1CCCSC1 575515353 352488082 /nfs/dbraw/zinc/48/80/82/352488082.db2.gz QJUAMERGGCQUIM-IUCAKERBSA-N 2 2 186.324 0.915 10 0 ACAELP [NH3+]C[C@@H]1CC[N@H+]1[C@H]1CCCSC1 575515353 352488083 /nfs/dbraw/zinc/48/80/83/352488083.db2.gz QJUAMERGGCQUIM-IUCAKERBSA-N 2 2 186.324 0.915 10 0 ACAELP [NH3+]C[C@H]1CC[N@H+]1[C@H]1CCCSC1 575515349 352488206 /nfs/dbraw/zinc/48/82/06/352488206.db2.gz QJUAMERGGCQUIM-BDAKNGLRSA-N 2 2 186.324 0.915 10 0 ACAELP [NH3+]C[C@H]1CC[N@@H+]1[C@@H]1CCCSC1 575515355 352488364 /nfs/dbraw/zinc/48/83/64/352488364.db2.gz QJUAMERGGCQUIM-RKDXNWHRSA-N 2 2 186.324 0.915 10 0 ACAELP [NH3+]C[C@H]1CC[N@H+]1[C@@H]1CCCSC1 575515355 352488368 /nfs/dbraw/zinc/48/83/68/352488368.db2.gz QJUAMERGGCQUIM-RKDXNWHRSA-N 2 2 186.324 0.915 10 0 ACAELP [NH3+]C[C@@H]1CC[N@@H+]1[C@@H]1CCCSC1 575515351 352488416 /nfs/dbraw/zinc/48/84/16/352488416.db2.gz QJUAMERGGCQUIM-DTWKUNHWSA-N 2 2 186.324 0.915 10 0 ACAELP [NH3+]C[C@@H]1CC[N@H+]1[C@@H]1CCCSC1 575515351 352488419 /nfs/dbraw/zinc/48/84/19/352488419.db2.gz QJUAMERGGCQUIM-DTWKUNHWSA-N 2 2 186.324 0.915 10 0 ACAELP CC[C@@H]1C[C@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575515302 352488524 /nfs/dbraw/zinc/48/85/24/352488524.db2.gz PXTQOAIQTFSCDG-IWSPIJDZSA-N 2 2 154.257 0.818 10 0 ACAELP CC[C@@H]1C[C@H]1[N@H+]1CC[C@@H]1C[NH3+] 575515302 352488527 /nfs/dbraw/zinc/48/85/27/352488527.db2.gz PXTQOAIQTFSCDG-IWSPIJDZSA-N 2 2 154.257 0.818 10 0 ACAELP CC1(C)OCC[C@@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575515483 352488941 /nfs/dbraw/zinc/48/89/41/352488941.db2.gz RLOQIBDDCQHKRU-BDAKNGLRSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)OCC[C@@H]1[N@H+]1CC[C@@H]1C[NH3+] 575515483 352488946 /nfs/dbraw/zinc/48/89/46/352488946.db2.gz RLOQIBDDCQHKRU-BDAKNGLRSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)OCC[C@H]1[N@@H+]1CC[C@H]1C[NH3+] 575515486 352488970 /nfs/dbraw/zinc/48/89/70/352488970.db2.gz RLOQIBDDCQHKRU-DTWKUNHWSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)OCC[C@H]1[N@H+]1CC[C@H]1C[NH3+] 575515486 352488971 /nfs/dbraw/zinc/48/89/71/352488971.db2.gz RLOQIBDDCQHKRU-DTWKUNHWSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)OCC[C@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575515492 352489034 /nfs/dbraw/zinc/48/90/34/352489034.db2.gz RLOQIBDDCQHKRU-RKDXNWHRSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)OCC[C@H]1[N@H+]1CC[C@@H]1C[NH3+] 575515492 352489036 /nfs/dbraw/zinc/48/90/36/352489036.db2.gz RLOQIBDDCQHKRU-RKDXNWHRSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)OCC[C@@H]1[N@@H+]1CC[C@H]1C[NH3+] 575515489 352489284 /nfs/dbraw/zinc/48/92/84/352489284.db2.gz RLOQIBDDCQHKRU-IUCAKERBSA-N 2 2 184.283 0.587 10 0 ACAELP CC1(C)OCC[C@@H]1[N@H+]1CC[C@H]1C[NH3+] 575515489 352489287 /nfs/dbraw/zinc/48/92/87/352489287.db2.gz RLOQIBDDCQHKRU-IUCAKERBSA-N 2 2 184.283 0.587 10 0 ACAELP [NH3+]CC1([N@@H+]2CC[C@@H](F)C2)CCC1 575515633 352489686 /nfs/dbraw/zinc/48/96/86/352489686.db2.gz RQGNWKQPJQRNLD-MRVPVSSYSA-N 2 2 172.247 0.912 10 0 ACAELP [NH3+]CC1([N@H+]2CC[C@@H](F)C2)CCC1 575515633 352489688 /nfs/dbraw/zinc/48/96/88/352489688.db2.gz RQGNWKQPJQRNLD-MRVPVSSYSA-N 2 2 172.247 0.912 10 0 ACAELP [NH3+]CC1([N@@H+]2CC[C@H](F)C2)CCC1 575515634 352489772 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/nfs/dbraw/zinc/53/78/20/352537820.db2.gz OMPLHNBPWYQEQV-PRJMDXOYSA-N 2 2 158.245 0.053 10 0 ACAELP C[C@@H]1C[N@H+](C)C[C@@H]([C@@H](C)[NH3+])O1 575526007 352537823 /nfs/dbraw/zinc/53/78/23/352537823.db2.gz OMPLHNBPWYQEQV-PRJMDXOYSA-N 2 2 158.245 0.053 10 0 ACAELP C[C@H]1C[N@@H+](C)C[C@@H]([C@H](C)[NH3+])O1 575526005 352537971 /nfs/dbraw/zinc/53/79/71/352537971.db2.gz OMPLHNBPWYQEQV-FXQIFTODSA-N 2 2 158.245 0.053 10 0 ACAELP C[C@H]1C[N@H+](C)C[C@@H]([C@H](C)[NH3+])O1 575526005 352537976 /nfs/dbraw/zinc/53/79/76/352537976.db2.gz OMPLHNBPWYQEQV-FXQIFTODSA-N 2 2 158.245 0.053 10 0 ACAELP C[C@H]1C[N@@H+](C)C[C@H]([C@@H](C)[NH3+])O1 575526009 352538132 /nfs/dbraw/zinc/53/81/32/352538132.db2.gz OMPLHNBPWYQEQV-XLPZGREQSA-N 2 2 158.245 0.053 10 0 ACAELP C[C@H]1C[N@H+](C)C[C@H]([C@@H](C)[NH3+])O1 575526009 352538133 /nfs/dbraw/zinc/53/81/33/352538133.db2.gz OMPLHNBPWYQEQV-XLPZGREQSA-N 2 2 158.245 0.053 10 0 ACAELP C[C@H]([NH3+])[C@H]1C[N@H+](C)C[C@@H](C)O1 575526006 352538139 /nfs/dbraw/zinc/53/81/39/352538139.db2.gz OMPLHNBPWYQEQV-GJMOJQLCSA-N 2 2 158.245 0.053 10 0 ACAELP C[C@H]([NH3+])[C@H]1C[N@@H+](C)C[C@@H](C)O1 575526006 352538140 /nfs/dbraw/zinc/53/81/40/352538140.db2.gz OMPLHNBPWYQEQV-GJMOJQLCSA-N 2 2 158.245 0.053 10 0 ACAELP C[NH2+][C@H](C)[C@H]1C[N@H+](C)C[C@H](C)O1 575526313 352539193 /nfs/dbraw/zinc/53/91/93/352539193.db2.gz SRSBENCVJDTHPN-DJLDLDEBSA-N 2 2 172.272 0.313 10 0 ACAELP C[NH2+][C@H](C)[C@H]1C[N@@H+](C)C[C@H](C)O1 575526313 352539194 /nfs/dbraw/zinc/53/91/94/352539194.db2.gz SRSBENCVJDTHPN-DJLDLDEBSA-N 2 2 172.272 0.313 10 0 ACAELP C[NH2+][C@H](C)[C@H]1C[N@H+](C)C[C@@H](C)O1 575526318 352539291 /nfs/dbraw/zinc/53/92/91/352539291.db2.gz SRSBENCVJDTHPN-IWSPIJDZSA-N 2 2 172.272 0.313 10 0 ACAELP C[NH2+][C@H](C)[C@H]1C[N@@H+](C)C[C@@H](C)O1 575526318 352539294 /nfs/dbraw/zinc/53/92/94/352539294.db2.gz SRSBENCVJDTHPN-IWSPIJDZSA-N 2 2 172.272 0.313 10 0 ACAELP C[NH2+][C@H](C)[C@@H]1C[N@H+](C)C[C@@H](C)O1 575526317 352539635 /nfs/dbraw/zinc/53/96/35/352539635.db2.gz SRSBENCVJDTHPN-HLTSFMKQSA-N 2 2 172.272 0.313 10 0 ACAELP C[NH2+][C@H](C)[C@@H]1C[N@@H+](C)C[C@@H](C)O1 575526317 352539638 /nfs/dbraw/zinc/53/96/38/352539638.db2.gz SRSBENCVJDTHPN-HLTSFMKQSA-N 2 2 172.272 0.313 10 0 ACAELP C[NH2+][C@H](C)[C@@H]1C[N@H+](C)C[C@H](C)O1 575526320 352539691 /nfs/dbraw/zinc/53/96/91/352539691.db2.gz SRSBENCVJDTHPN-YIZRAAEISA-N 2 2 172.272 0.313 10 0 ACAELP C[NH2+][C@H](C)[C@@H]1C[N@@H+](C)C[C@H](C)O1 575526320 352539695 /nfs/dbraw/zinc/53/96/95/352539695.db2.gz SRSBENCVJDTHPN-YIZRAAEISA-N 2 2 172.272 0.313 10 0 ACAELP C[NH2+][C@]1(C[NH3+])CN(C)C(C)(C)C1 575527070 352542278 /nfs/dbraw/zinc/54/22/78/352542278.db2.gz CGSBNNCFHGQNIW-SECBINFHSA-N 2 2 171.288 0.017 10 0 ACAELP C[NH2+][C@@]1(C[NH3+])CN(C)C(C)(C)C1 575527071 352542448 /nfs/dbraw/zinc/54/24/48/352542448.db2.gz CGSBNNCFHGQNIW-VIFPVBQESA-N 2 2 171.288 0.017 10 0 ACAELP CC1CN(c2cc[nH+]c(C[NH3+])c2)C1 575527810 352544721 /nfs/dbraw/zinc/54/47/21/352544721.db2.gz DMLHGMDTFIRHFA-UHFFFAOYSA-N 2 2 177.251 0.996 10 0 ACAELP CC[N@H+](C)C(C)(C)C(=[NH2+])NO 575528026 352545836 /nfs/dbraw/zinc/54/58/36/352545836.db2.gz NVDWRMAQCGFCJV-UHFFFAOYSA-N 2 2 159.233 0.673 10 0 ACAELP CC[N@@H+](C)C(C)(C)C(=[NH2+])NO 575528026 352545841 /nfs/dbraw/zinc/54/58/41/352545841.db2.gz NVDWRMAQCGFCJV-UHFFFAOYSA-N 2 2 159.233 0.673 10 0 ACAELP CO[C@]1(C)C[C@@H]1[N@H+]1CC[C@@H]([NH3+])C1 575528349 352547067 /nfs/dbraw/zinc/54/70/67/352547067.db2.gz RNVJJUGBPVZCAG-HRDYMLBCSA-N 2 2 170.256 0.197 10 0 ACAELP CO[C@]1(C)C[C@H]1[N@@H+]1CC[C@H]([NH3+])C1 575528347 352546946 /nfs/dbraw/zinc/54/69/46/352546946.db2.gz RNVJJUGBPVZCAG-DJLDLDEBSA-N 2 2 170.256 0.197 10 0 ACAELP CO[C@]1(C)C[C@H]1[N@H+]1CC[C@H]([NH3+])C1 575528347 352546947 /nfs/dbraw/zinc/54/69/47/352546947.db2.gz RNVJJUGBPVZCAG-DJLDLDEBSA-N 2 2 170.256 0.197 10 0 ACAELP CO[C@@]1(C)C[C@H]1[N@@H+]1CC[C@@H]([NH3+])C1 575528348 352546959 /nfs/dbraw/zinc/54/69/59/352546959.db2.gz RNVJJUGBPVZCAG-HLTSFMKQSA-N 2 2 170.256 0.197 10 0 ACAELP CO[C@@]1(C)C[C@H]1[N@H+]1CC[C@@H]([NH3+])C1 575528348 352546960 /nfs/dbraw/zinc/54/69/60/352546960.db2.gz RNVJJUGBPVZCAG-HLTSFMKQSA-N 2 2 170.256 0.197 10 0 ACAELP CO[C@]1(C)C[C@@H]1[N@@H+]1CC[C@@H]([NH3+])C1 575528349 352547066 /nfs/dbraw/zinc/54/70/66/352547066.db2.gz RNVJJUGBPVZCAG-HRDYMLBCSA-N 2 2 170.256 0.197 10 0 ACAELP CO[C@]1(C)C[C@H]1[N@@H+]1CC[C@@H]([NH3+])C1 575528350 352547113 /nfs/dbraw/zinc/54/71/13/352547113.db2.gz RNVJJUGBPVZCAG-IWSPIJDZSA-N 2 2 170.256 0.197 10 0 ACAELP CO[C@]1(C)C[C@H]1[N@H+]1CC[C@@H]([NH3+])C1 575528350 352547114 /nfs/dbraw/zinc/54/71/14/352547114.db2.gz RNVJJUGBPVZCAG-IWSPIJDZSA-N 2 2 170.256 0.197 10 0 ACAELP CO[C@]1(C)C[C@@H]1[N@@H+]1CC[C@H]([NH3+])C1 575528353 352547131 /nfs/dbraw/zinc/54/71/31/352547131.db2.gz RNVJJUGBPVZCAG-XHNCKOQMSA-N 2 2 170.256 0.197 10 0 ACAELP CO[C@]1(C)C[C@@H]1[N@H+]1CC[C@H]([NH3+])C1 575528353 352547134 /nfs/dbraw/zinc/54/71/34/352547134.db2.gz RNVJJUGBPVZCAG-XHNCKOQMSA-N 2 2 170.256 0.197 10 0 ACAELP CO[C@@]1(C)C[C@H]1[N@@H+]1CC[C@H]([NH3+])C1 575528356 352547167 /nfs/dbraw/zinc/54/71/67/352547167.db2.gz RNVJJUGBPVZCAG-YIZRAAEISA-N 2 2 170.256 0.197 10 0 ACAELP CO[C@@]1(C)C[C@H]1[N@H+]1CC[C@H]([NH3+])C1 575528356 352547170 /nfs/dbraw/zinc/54/71/70/352547170.db2.gz RNVJJUGBPVZCAG-YIZRAAEISA-N 2 2 170.256 0.197 10 0 ACAELP Cc1[nH+]cc([C@H](O)C2([NH3+])CC2)n1C 575528787 352549332 /nfs/dbraw/zinc/54/93/32/352549332.db2.gz VPIGWMJAKHMKDO-QMMMGPOBSA-N 2 2 181.239 0.253 10 0 ACAELP Cc1[nH+]cc([C@@H](O)C2([NH3+])CC2)n1C 575528786 352549597 /nfs/dbraw/zinc/54/95/97/352549597.db2.gz VPIGWMJAKHMKDO-MRVPVSSYSA-N 2 2 181.239 0.253 10 0 ACAELP CC1CN(c2cc[nH+]cc2C[NH3+])C1 575529304 352551343 /nfs/dbraw/zinc/55/13/43/352551343.db2.gz WEBRAGMBMGFQHW-UHFFFAOYSA-N 2 2 177.251 0.996 10 0 ACAELP CCn1cc[nH+]c1[C@H]1COC[C@@H]1[NH3+] 575531226 352560152 /nfs/dbraw/zinc/56/01/52/352560152.db2.gz OMFZGAFAMPGIJN-YUMQZZPRSA-N 2 2 181.239 0.344 10 0 ACAELP CCn1cc[nH+]c1[C@@H]1COC[C@@H]1[NH3+] 575531223 352560189 /nfs/dbraw/zinc/56/01/89/352560189.db2.gz OMFZGAFAMPGIJN-SFYZADRCSA-N 2 2 181.239 0.344 10 0 ACAELP CCn1cc[nH+]c1[C@@H]1COC[C@H]1[NH3+] 575531214 352560342 /nfs/dbraw/zinc/56/03/42/352560342.db2.gz OMFZGAFAMPGIJN-HTQZYQBOSA-N 2 2 181.239 0.344 10 0 ACAELP CCn1cc[nH+]c1[C@H]1COC[C@H]1[NH3+] 575531222 352560425 /nfs/dbraw/zinc/56/04/25/352560425.db2.gz OMFZGAFAMPGIJN-JGVFFNPUSA-N 2 2 181.239 0.344 10 0 ACAELP CCn1c[nH+]c([C@H]2COC[C@H]2[NH3+])c1 575531540 352561962 /nfs/dbraw/zinc/56/19/62/352561962.db2.gz PSDWHQLISDUMAI-JGVFFNPUSA-N 2 2 181.239 0.344 10 0 ACAELP CCn1c[nH+]c([C@@H]2COC[C@H]2[NH3+])c1 575531538 352562039 /nfs/dbraw/zinc/56/20/39/352562039.db2.gz PSDWHQLISDUMAI-HTQZYQBOSA-N 2 2 181.239 0.344 10 0 ACAELP CCn1c[nH+]c([C@@H]2COC[C@@H]2[NH3+])c1 575531542 352562063 /nfs/dbraw/zinc/56/20/63/352562063.db2.gz PSDWHQLISDUMAI-SFYZADRCSA-N 2 2 181.239 0.344 10 0 ACAELP CCn1c[nH+]c([C@H]2COC[C@@H]2[NH3+])c1 575531545 352562125 /nfs/dbraw/zinc/56/21/25/352562125.db2.gz PSDWHQLISDUMAI-YUMQZZPRSA-N 2 2 181.239 0.344 10 0 ACAELP C[NH2+][C@@H]1COC[C@H]1c1cn(C)c[nH+]1 575532082 352564069 /nfs/dbraw/zinc/56/40/69/352564069.db2.gz UJTUREWVGAYWLR-IONNQARKSA-N 2 2 181.239 0.122 10 0 ACAELP C[NH2+][C@@H]1COC[C@@H]1c1cn(C)c[nH+]1 575532084 352564104 /nfs/dbraw/zinc/56/41/04/352564104.db2.gz UJTUREWVGAYWLR-VXNVDRBHSA-N 2 2 181.239 0.122 10 0 ACAELP C[NH2+][C@H]1COC[C@H]1c1cn(C)c[nH+]1 575532080 352564178 /nfs/dbraw/zinc/56/41/78/352564178.db2.gz UJTUREWVGAYWLR-CBAPKCEASA-N 2 2 181.239 0.122 10 0 ACAELP C[NH2+][C@H]1COC[C@@H]1c1cn(C)c[nH+]1 575532079 352564240 /nfs/dbraw/zinc/56/42/40/352564240.db2.gz UJTUREWVGAYWLR-APPZFPTMSA-N 2 2 181.239 0.122 10 0 ACAELP C[NH2+][C@@H]1COC[C@H]1c1[nH+]ccn1C 575532636 352566864 /nfs/dbraw/zinc/56/68/64/352566864.db2.gz WZAYQRNQBMZMHM-HTQZYQBOSA-N 2 2 181.239 0.122 10 0 ACAELP C[NH2+][C@@H]1COC[C@@H]1c1[nH+]ccn1C 575532638 352566796 /nfs/dbraw/zinc/56/67/96/352566796.db2.gz WZAYQRNQBMZMHM-JGVFFNPUSA-N 2 2 181.239 0.122 10 0 ACAELP C[NH2+][C@H]1COC[C@H]1c1[nH+]ccn1C 575532640 352566856 /nfs/dbraw/zinc/56/68/56/352566856.db2.gz WZAYQRNQBMZMHM-SFYZADRCSA-N 2 2 181.239 0.122 10 0 ACAELP C[NH2+][C@H]1COC[C@@H]1c1[nH+]ccn1C 575532642 352566916 /nfs/dbraw/zinc/56/69/16/352566916.db2.gz WZAYQRNQBMZMHM-YUMQZZPRSA-N 2 2 181.239 0.122 10 0 ACAELP Cn1c[nH+]cc1C1=C[C@H]([NH3+])CC1 575533183 352569713 /nfs/dbraw/zinc/56/97/13/352569713.db2.gz GPUYVXVCNDUTHI-MRVPVSSYSA-N 2 2 163.224 0.925 10 0 ACAELP C[NH2+][C@H]1COC[C@@H]1c1c[nH+]cn1C 575533477 352570886 /nfs/dbraw/zinc/57/08/86/352570886.db2.gz HIFCRLIPMVUCRD-YUMQZZPRSA-N 2 2 181.239 0.122 10 0 ACAELP Cn1c[nH+]cc1C1=C[C@@H]([NH3+])CC1 575533428 352571075 /nfs/dbraw/zinc/57/10/75/352571075.db2.gz GPUYVXVCNDUTHI-QMMMGPOBSA-N 2 2 163.224 0.925 10 0 ACAELP C[NH2+][C@@H]1COC[C@@H]1c1c[nH+]cn1C 575533466 352571097 /nfs/dbraw/zinc/57/10/97/352571097.db2.gz HIFCRLIPMVUCRD-JGVFFNPUSA-N 2 2 181.239 0.122 10 0 ACAELP C[NH2+][C@H]1COC[C@H]1c1c[nH+]cn1C 575533473 352571124 /nfs/dbraw/zinc/57/11/24/352571124.db2.gz HIFCRLIPMVUCRD-SFYZADRCSA-N 2 2 181.239 0.122 10 0 ACAELP C[NH2+][C@@H]1COC[C@H]1c1c[nH+]cn1C 575533461 352571130 /nfs/dbraw/zinc/57/11/30/352571130.db2.gz HIFCRLIPMVUCRD-HTQZYQBOSA-N 2 2 181.239 0.122 10 0 ACAELP CC1C[NH+]([C@@H]2C[NH2+]CC[C@]2(C)O)C1 575533564 352571512 /nfs/dbraw/zinc/57/15/12/352571512.db2.gz IHMZWLBOXDLPTN-ZJUUUORDSA-N 2 2 184.283 0.051 10 0 ACAELP CC1C[NH+]([C@H]2C[NH2+]CC[C@]2(C)O)C1 575533562 352571579 /nfs/dbraw/zinc/57/15/79/352571579.db2.gz IHMZWLBOXDLPTN-UWVGGRQHSA-N 2 2 184.283 0.051 10 0 ACAELP CC1C[NH+]([C@H]2C[NH2+]CC[C@@]2(C)O)C1 575533563 352571830 /nfs/dbraw/zinc/57/18/30/352571830.db2.gz IHMZWLBOXDLPTN-VHSXEESVSA-N 2 2 184.283 0.051 10 0 ACAELP CC1C[NH+]([C@@H]2C[NH2+]CC[C@@]2(C)O)C1 575533561 352571850 /nfs/dbraw/zinc/57/18/50/352571850.db2.gz IHMZWLBOXDLPTN-NXEZZACHSA-N 2 2 184.283 0.051 10 0 ACAELP CS[C@H]1C[NH2+]C[C@H]1[NH+]1CC(C)C1 575533952 352572954 /nfs/dbraw/zinc/57/29/54/352572954.db2.gz LKHIVZCEMHBMTJ-BDAKNGLRSA-N 2 2 186.324 0.642 10 0 ACAELP CS[C@H]1C[NH2+]C[C@@H]1[NH+]1CC(C)C1 575533957 352572970 /nfs/dbraw/zinc/57/29/70/352572970.db2.gz LKHIVZCEMHBMTJ-IUCAKERBSA-N 2 2 186.324 0.642 10 0 ACAELP CS[C@@H]1C[NH2+]C[C@H]1[NH+]1CC(C)C1 575533959 352573004 /nfs/dbraw/zinc/57/30/04/352573004.db2.gz LKHIVZCEMHBMTJ-RKDXNWHRSA-N 2 2 186.324 0.642 10 0 ACAELP CS[C@@H]1C[NH2+]C[C@@H]1[NH+]1CC(C)C1 575533953 352573196 /nfs/dbraw/zinc/57/31/96/352573196.db2.gz LKHIVZCEMHBMTJ-DTWKUNHWSA-N 2 2 186.324 0.642 10 0 ACAELP CC[C@H]1[NH2+]CC[C@@H]1[NH+](C)C 575548495 352631349 /nfs/dbraw/zinc/63/13/49/352631349.db2.gz DWQAEVUCVOEPPK-SFYZADRCSA-N 2 2 142.246 0.689 10 0 ACAELP CC1C[NH+](C[C@H]2CSCC[NH2+]2)C1 575534914 352577233 /nfs/dbraw/zinc/57/72/33/352577233.db2.gz UCAWUYZWBKWSEB-VIFPVBQESA-N 2 2 186.324 0.643 10 0 ACAELP CC1C[NH+](C[C@@H]2CSCC[NH2+]2)C1 575534913 352577351 /nfs/dbraw/zinc/57/73/51/352577351.db2.gz UCAWUYZWBKWSEB-SECBINFHSA-N 2 2 186.324 0.643 10 0 ACAELP Cn1c[nH+]cc1[C@@H]([NH3+])C1CSC1 575534921 352577382 /nfs/dbraw/zinc/57/73/82/352577382.db2.gz UGFNHTXPAVGUMK-QMMMGPOBSA-N 2 2 183.280 0.783 10 0 ACAELP Cn1c[nH+]cc1[C@H]([NH3+])C1CSC1 575534920 352577408 /nfs/dbraw/zinc/57/74/08/352577408.db2.gz UGFNHTXPAVGUMK-MRVPVSSYSA-N 2 2 183.280 0.783 10 0 ACAELP CCC1C[NH+](C[C@H]2CC[NH2+]2)C1 575535156 352577832 /nfs/dbraw/zinc/57/78/32/352577832.db2.gz WCQWFMVDRCLVOP-SECBINFHSA-N 2 2 154.257 0.690 10 0 ACAELP CCC1C[NH+](C[C@@H]2CC[NH2+]2)C1 575535157 352577908 /nfs/dbraw/zinc/57/79/08/352577908.db2.gz WCQWFMVDRCLVOP-VIFPVBQESA-N 2 2 154.257 0.690 10 0 ACAELP Cn1c[nH+]cc1C1=CC[NH2+]C1 575535370 352579246 /nfs/dbraw/zinc/57/92/46/352579246.db2.gz XWBQZLLOAGWBSP-UHFFFAOYSA-N 2 2 149.197 0.407 10 0 ACAELP C[NH2+]C[C@H]1C[NH2+]CC1(F)F 575536583 352585279 /nfs/dbraw/zinc/58/52/79/352585279.db2.gz CGJMFJJKIZBRMY-YFKPBYRVSA-N 2 2 150.172 0.061 10 0 ACAELP C[NH2+]C[C@@H]1C[NH2+]CC1(F)F 575536578 352585623 /nfs/dbraw/zinc/58/56/23/352585623.db2.gz CGJMFJJKIZBRMY-RXMQYKEDSA-N 2 2 150.172 0.061 10 0 ACAELP FC1(F)C[NH2+]C[C@@H]1C[NH+]1CCC1 575537090 352588160 /nfs/dbraw/zinc/58/81/60/352588160.db2.gz GCNFDMUPNBYMJN-SSDOTTSWSA-N 2 2 176.210 0.547 10 0 ACAELP FC1(F)C[NH2+]C[C@H]1C[NH+]1CCC1 575537091 352588438 /nfs/dbraw/zinc/58/84/38/352588438.db2.gz GCNFDMUPNBYMJN-ZETCQYMHSA-N 2 2 176.210 0.547 10 0 ACAELP C[NH2+][C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2O)C1 575537421 352590170 /nfs/dbraw/zinc/59/01/70/352590170.db2.gz IHIIUQGZMDMPII-BBBLOLIVSA-N 2 2 184.283 0.194 10 0 ACAELP C[NH2+][C@@H]1CCC[N@H+]([C@@H]2CC[C@@H]2O)C1 575537421 352590173 /nfs/dbraw/zinc/59/01/73/352590173.db2.gz IHIIUQGZMDMPII-BBBLOLIVSA-N 2 2 184.283 0.194 10 0 ACAELP C[NH2+][C@@H]1CCC[N@@H+]([C@H]2CC[C@H]2O)C1 575537489 352590257 /nfs/dbraw/zinc/59/02/57/352590257.db2.gz IHIIUQGZMDMPII-KXUCPTDWSA-N 2 2 184.283 0.194 10 0 ACAELP C[NH2+][C@@H]1CCC[N@H+]([C@H]2CC[C@H]2O)C1 575537489 352590259 /nfs/dbraw/zinc/59/02/59/352590259.db2.gz IHIIUQGZMDMPII-KXUCPTDWSA-N 2 2 184.283 0.194 10 0 ACAELP C[NH2+][C@@H]1CCC[N@@H+]([C@H]2CC[C@@H]2O)C1 575537495 352590304 /nfs/dbraw/zinc/59/03/04/352590304.db2.gz IHIIUQGZMDMPII-UTLUCORTSA-N 2 2 184.283 0.194 10 0 ACAELP C[NH2+][C@@H]1CCC[N@H+]([C@H]2CC[C@@H]2O)C1 575537495 352590307 /nfs/dbraw/zinc/59/03/07/352590307.db2.gz IHIIUQGZMDMPII-UTLUCORTSA-N 2 2 184.283 0.194 10 0 ACAELP C[NH2+][C@@H]1CCC[N@@H+]([C@@H]2CC[C@H]2O)C1 575537492 352590359 /nfs/dbraw/zinc/59/03/59/352590359.db2.gz IHIIUQGZMDMPII-OPRDCNLKSA-N 2 2 184.283 0.194 10 0 ACAELP C[NH2+][C@@H]1CCC[N@H+]([C@@H]2CC[C@H]2O)C1 575537492 352590361 /nfs/dbraw/zinc/59/03/61/352590361.db2.gz IHIIUQGZMDMPII-OPRDCNLKSA-N 2 2 184.283 0.194 10 0 ACAELP CC[NH2+]C[C@H]1C[NH2+]CC1(F)F 575537560 352590946 /nfs/dbraw/zinc/59/09/46/352590946.db2.gz JFASFHVDZOZWIB-LURJTMIESA-N 2 2 164.199 0.451 10 0 ACAELP CC[NH2+]C[C@@H]1C[NH2+]CC1(F)F 575537563 352591180 /nfs/dbraw/zinc/59/11/80/352591180.db2.gz JFASFHVDZOZWIB-ZCFIWIBFSA-N 2 2 164.199 0.451 10 0 ACAELP 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/nfs/dbraw/zinc/59/59/61/352595961.db2.gz PIJOVUJIJPLWTF-AOOOYVTPSA-N 2 2 182.267 0.069 10 0 ACAELP CC(=O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@@H]2C1 575538733 352595962 /nfs/dbraw/zinc/59/59/62/352595962.db2.gz PIJOVUJIJPLWTF-AOOOYVTPSA-N 2 2 182.267 0.069 10 0 ACAELP CC(=O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@@H]2C1 575538733 352595966 /nfs/dbraw/zinc/59/59/66/352595966.db2.gz PIJOVUJIJPLWTF-AOOOYVTPSA-N 2 2 182.267 0.069 10 0 ACAELP CC(=O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@@H]2C1 575538733 352595967 /nfs/dbraw/zinc/59/59/67/352595967.db2.gz PIJOVUJIJPLWTF-AOOOYVTPSA-N 2 2 182.267 0.069 10 0 ACAELP CC(=O)C[NH+]1C[C@@H]2C[NH+](C)C[C@H]2C1 575538736 352595998 /nfs/dbraw/zinc/59/59/98/352595998.db2.gz PIJOVUJIJPLWTF-UWVGGRQHSA-N 2 2 182.267 0.069 10 0 ACAELP CC(=O)C[NH+]1C[C@H]2C[NH+](C)C[C@@H]2C1 575538734 352596354 /nfs/dbraw/zinc/59/63/54/352596354.db2.gz PIJOVUJIJPLWTF-NXEZZACHSA-N 2 2 182.267 0.069 10 0 ACAELP C[C@@]12C[NH2+]C[C@]1(C)C[N@@H+](CCF)C2 575538939 352596685 /nfs/dbraw/zinc/59/66/85/352596685.db2.gz RHXLVUNADURBQJ-AOOOYVTPSA-N 2 2 186.274 0.887 10 0 ACAELP C[C@@]12C[NH2+]C[C@]1(C)C[N@H+](CCF)C2 575538939 352596689 /nfs/dbraw/zinc/59/66/89/352596689.db2.gz RHXLVUNADURBQJ-AOOOYVTPSA-N 2 2 186.274 0.887 10 0 ACAELP C[C@@]12C[NH2+]C[C@@]1(C)C[NH+](CCF)C2 575538943 352596774 /nfs/dbraw/zinc/59/67/74/352596774.db2.gz RHXLVUNADURBQJ-UWVGGRQHSA-N 2 2 186.274 0.887 10 0 ACAELP C[C@]12C[NH2+]C[C@]1(C)C[NH+](CCF)C2 575538942 352596789 /nfs/dbraw/zinc/59/67/89/352596789.db2.gz RHXLVUNADURBQJ-NXEZZACHSA-N 2 2 186.274 0.887 10 0 ACAELP C[C@@H]1COC[C@@H](C)[NH+]1CC1([NH3+])CC1 575539376 352599204 /nfs/dbraw/zinc/59/92/04/352599204.db2.gz VCDMYBIGDAPWAJ-RKDXNWHRSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@H]1COC[C@@H](C)[N@@H+]1CC1([NH3+])CC1 575539374 352599209 /nfs/dbraw/zinc/59/92/09/352599209.db2.gz VCDMYBIGDAPWAJ-DTORHVGOSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@H]1COC[C@@H](C)[N@H+]1CC1([NH3+])CC1 575539374 352599212 /nfs/dbraw/zinc/59/92/12/352599212.db2.gz VCDMYBIGDAPWAJ-DTORHVGOSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@H]1COC[C@@H](C)[N@@H+]1CC(C)(C)[NH3+] 575539408 352599236 /nfs/dbraw/zinc/59/92/36/352599236.db2.gz VVKTXDGXXCFECA-DTORHVGOSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@H]1COC[C@@H](C)[N@H+]1CC(C)(C)[NH3+] 575539408 352599240 /nfs/dbraw/zinc/59/92/40/352599240.db2.gz VVKTXDGXXCFECA-DTORHVGOSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@H]1COC[C@H](C)[NH+]1CC1([NH3+])CC1 575539375 352599287 /nfs/dbraw/zinc/59/92/87/352599287.db2.gz VCDMYBIGDAPWAJ-IUCAKERBSA-N 2 2 184.283 0.587 10 0 ACAELP C[C@H]1COC[C@H](C)[NH+]1CC(C)(C)[NH3+] 575539409 352599369 /nfs/dbraw/zinc/59/93/69/352599369.db2.gz VVKTXDGXXCFECA-IUCAKERBSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]1COC[C@@H](C)[NH+]1CC(C)(C)[NH3+] 575539410 352599411 /nfs/dbraw/zinc/59/94/11/352599411.db2.gz VVKTXDGXXCFECA-RKDXNWHRSA-N 2 2 186.299 0.833 10 0 ACAELP C[N@@H+]([C@@H]1CCC[NH2+]C1)[C@@H]1CC[C@@H]1O 575539553 352599870 /nfs/dbraw/zinc/59/98/70/352599870.db2.gz ZJFNYXMORCOINU-BBBLOLIVSA-N 2 2 184.283 0.194 10 0 ACAELP C[N@H+]([C@@H]1CCC[NH2+]C1)[C@@H]1CC[C@@H]1O 575539553 352599871 /nfs/dbraw/zinc/59/98/71/352599871.db2.gz ZJFNYXMORCOINU-BBBLOLIVSA-N 2 2 184.283 0.194 10 0 ACAELP C[N@@H+]([C@@H]1CCC[NH2+]C1)[C@@H]1CC[C@H]1O 575539555 352599876 /nfs/dbraw/zinc/59/98/76/352599876.db2.gz ZJFNYXMORCOINU-OPRDCNLKSA-N 2 2 184.283 0.194 10 0 ACAELP C[N@H+]([C@@H]1CCC[NH2+]C1)[C@@H]1CC[C@H]1O 575539555 352599879 /nfs/dbraw/zinc/59/98/79/352599879.db2.gz ZJFNYXMORCOINU-OPRDCNLKSA-N 2 2 184.283 0.194 10 0 ACAELP C[N@H+]([C@H]1CC[C@H]1O)[C@@H]1CCC[NH2+]C1 575539554 352599975 /nfs/dbraw/zinc/59/99/75/352599975.db2.gz ZJFNYXMORCOINU-KXUCPTDWSA-N 2 2 184.283 0.194 10 0 ACAELP C[N@@H+]([C@H]1CC[C@H]1O)[C@@H]1CCC[NH2+]C1 575539554 352599977 /nfs/dbraw/zinc/59/99/77/352599977.db2.gz ZJFNYXMORCOINU-KXUCPTDWSA-N 2 2 184.283 0.194 10 0 ACAELP [NH3+]CC1([NH+]2CC3(CC3)C2)CCC1 575539542 352600033 /nfs/dbraw/zinc/60/00/33/352600033.db2.gz XXTNBUBMJWGAKY-UHFFFAOYSA-N 2 2 166.268 0.964 10 0 ACAELP C[N@H+]([C@H]1CC[C@@H]1O)[C@@H]1CCC[NH2+]C1 575539556 352600156 /nfs/dbraw/zinc/60/01/56/352600156.db2.gz ZJFNYXMORCOINU-UTLUCORTSA-N 2 2 184.283 0.194 10 0 ACAELP C[N@@H+]([C@H]1CC[C@@H]1O)[C@@H]1CCC[NH2+]C1 575539556 352600159 /nfs/dbraw/zinc/60/01/59/352600159.db2.gz ZJFNYXMORCOINU-UTLUCORTSA-N 2 2 184.283 0.194 10 0 ACAELP C[C@@H]([NH3+])CC1=CSC2=[NH+]CCN12 575540045 352602163 /nfs/dbraw/zinc/60/21/63/352602163.db2.gz JOGCPROKYPPNRT-ZCFIWIBFSA-N 2 2 183.280 0.984 10 0 ACAELP C[C@H]([NH3+])CC1=CSC2=[NH+]CCN12 575540044 352602263 /nfs/dbraw/zinc/60/22/63/352602263.db2.gz JOGCPROKYPPNRT-LURJTMIESA-N 2 2 183.280 0.984 10 0 ACAELP F[C@@H]1C[NH2+]CC[C@@H]1[N@@H+]1CC[C@@H]2C[C@@H]21 575542125 352610182 /nfs/dbraw/zinc/61/01/82/352610182.db2.gz PCPKKHLSGWUEGS-IMSYWVGJSA-N 2 2 184.258 0.781 10 0 ACAELP F[C@@H]1C[NH2+]CC[C@@H]1[N@H+]1CC[C@@H]2C[C@@H]21 575542125 352610184 /nfs/dbraw/zinc/61/01/84/352610184.db2.gz PCPKKHLSGWUEGS-IMSYWVGJSA-N 2 2 184.258 0.781 10 0 ACAELP F[C@@H]1C[NH2+]CC[C@@H]1[N@@H+]1CC[C@H]2C[C@H]21 575542130 352610367 /nfs/dbraw/zinc/61/03/67/352610367.db2.gz PCPKKHLSGWUEGS-QCLAVDOMSA-N 2 2 184.258 0.781 10 0 ACAELP F[C@@H]1C[NH2+]CC[C@@H]1[N@H+]1CC[C@H]2C[C@H]21 575542130 352610369 /nfs/dbraw/zinc/61/03/69/352610369.db2.gz PCPKKHLSGWUEGS-QCLAVDOMSA-N 2 2 184.258 0.781 10 0 ACAELP C[C@H]([NH3+])[C@H](C)[NH+]1[C@H](C)COC[C@H]1C 575542976 352612883 /nfs/dbraw/zinc/61/28/83/352612883.db2.gz MMTQYHNRVZANIY-IMSYWVGJSA-N 2 2 186.299 0.831 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1[C@@H](C)COC[C@H]1C 575543079 352613476 /nfs/dbraw/zinc/61/34/76/352613476.db2.gz MMTQYHNRVZANIY-QCLAVDOMSA-N 2 2 186.299 0.831 10 0 ACAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1[C@@H](C)COC[C@H]1C 575543079 352613481 /nfs/dbraw/zinc/61/34/81/352613481.db2.gz MMTQYHNRVZANIY-QCLAVDOMSA-N 2 2 186.299 0.831 10 0 ACAELP [NH3+]C1CC([NH+]2CC(C(F)F)C2)C1 575543087 352613625 /nfs/dbraw/zinc/61/36/25/352613625.db2.gz MQKRYFWQUOHFNL-UHFFFAOYSA-N 2 2 176.210 0.673 10 0 ACAELP C[C@H]([NH3+])[C@H](C)[NH+]1[C@@H](C)COC[C@@H]1C 575543080 352613698 /nfs/dbraw/zinc/61/36/98/352613698.db2.gz MMTQYHNRVZANIY-XKNYDFJKSA-N 2 2 186.299 0.831 10 0 ACAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1[C@@H](C)COC[C@H]1C 575543078 352613754 /nfs/dbraw/zinc/61/37/54/352613754.db2.gz MMTQYHNRVZANIY-JXUBOQSCSA-N 2 2 186.299 0.831 10 0 ACAELP C[C@H]([NH3+])[C@H](C)[N@H+]1[C@@H](C)COC[C@H]1C 575543078 352613757 /nfs/dbraw/zinc/61/37/57/352613757.db2.gz MMTQYHNRVZANIY-JXUBOQSCSA-N 2 2 186.299 0.831 10 0 ACAELP O[C@H]1C[NH2+]C[C@@H]1[NH2+]C1CCCCC1 575543392 352614864 /nfs/dbraw/zinc/61/48/64/352614864.db2.gz XSZRXKIAVDDVTG-UWVGGRQHSA-N 2 2 184.283 0.241 10 0 ACAELP O[C@H]1C[NH2+]C[C@H]1[NH2+]C1CCCCC1 575543398 352614921 /nfs/dbraw/zinc/61/49/21/352614921.db2.gz XSZRXKIAVDDVTG-ZJUUUORDSA-N 2 2 184.283 0.241 10 0 ACAELP O[C@@H]1C[NH2+]C[C@@H]1[NH2+]C1CCCCC1 575543396 352614955 /nfs/dbraw/zinc/61/49/55/352614955.db2.gz XSZRXKIAVDDVTG-VHSXEESVSA-N 2 2 184.283 0.241 10 0 ACAELP C[NH2+]N[C@H]1CC[NH2+]CC1(C)C 575544418 352618201 /nfs/dbraw/zinc/61/82/01/352618201.db2.gz FSYWJEQRUQUZFV-ZETCQYMHSA-N 2 2 157.261 0.099 10 0 ACAELP C[NH2+]N[C@@H]1CC[NH2+]CC1(C)C 575544417 352618270 /nfs/dbraw/zinc/61/82/70/352618270.db2.gz FSYWJEQRUQUZFV-SSDOTTSWSA-N 2 2 157.261 0.099 10 0 ACAELP Cc1[nH+]c([C@@H]2CC[C@H]2[NH3+])cn1C 575545270 352621390 /nfs/dbraw/zinc/62/13/90/352621390.db2.gz JTTXVVOJUFXNMN-HTQZYQBOSA-N 2 2 165.240 0.933 10 0 ACAELP Cc1[nH+]c([C@H]2CC[C@@H]2[NH3+])cn1C 575545273 352621507 /nfs/dbraw/zinc/62/15/07/352621507.db2.gz JTTXVVOJUFXNMN-YUMQZZPRSA-N 2 2 165.240 0.933 10 0 ACAELP Cc1[nH+]c([C@H]2CC[C@H]2[NH3+])cn1C 575545271 352621525 /nfs/dbraw/zinc/62/15/25/352621525.db2.gz JTTXVVOJUFXNMN-JGVFFNPUSA-N 2 2 165.240 0.933 10 0 ACAELP Cc1[nH+]c([C@@H]2CC[C@@H]2[NH3+])cn1C 575545272 352621598 /nfs/dbraw/zinc/62/15/98/352621598.db2.gz JTTXVVOJUFXNMN-SFYZADRCSA-N 2 2 165.240 0.933 10 0 ACAELP Cc1[nH+]c(C[C@H](C)[NH3+])cn1C 575546386 352624851 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10 0 ACAELP CC[C@@H]1[NH2+]CC[C@H]1[NH+](C)C 575548493 352631352 /nfs/dbraw/zinc/63/13/52/352631352.db2.gz DWQAEVUCVOEPPK-JGVFFNPUSA-N 2 2 142.246 0.689 10 0 ACAELP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CSC1 575549763 352635339 /nfs/dbraw/zinc/63/53/39/352635339.db2.gz MVLGVXIBJJJPFJ-VXNVDRBHSA-N 2 2 186.324 0.832 10 0 ACAELP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CSC1 575549760 352635342 /nfs/dbraw/zinc/63/53/42/352635342.db2.gz MVLGVXIBJJJPFJ-APPZFPTMSA-N 2 2 186.324 0.832 10 0 ACAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CSC1 575549762 352635391 /nfs/dbraw/zinc/63/53/91/352635391.db2.gz MVLGVXIBJJJPFJ-IONNQARKSA-N 2 2 186.324 0.832 10 0 ACAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CSC1 575549761 352635634 /nfs/dbraw/zinc/63/56/34/352635634.db2.gz MVLGVXIBJJJPFJ-CBAPKCEASA-N 2 2 186.324 0.832 10 0 ACAELP C[C@@H]1CC[C@@H]([NH2+]C2CSC2)C[NH2+]1 575549848 352636092 /nfs/dbraw/zinc/63/60/92/352636092.db2.gz NKIQYIIXKWWGAY-HTQZYQBOSA-N 2 2 186.324 0.832 10 0 ACAELP C[C@@H]1CC[C@H]([NH2+]C2CSC2)C[NH2+]1 575549851 352636134 /nfs/dbraw/zinc/63/61/34/352636134.db2.gz NKIQYIIXKWWGAY-SFYZADRCSA-N 2 2 186.324 0.832 10 0 ACAELP C[C@H]1CC[C@@H]([NH2+]C2CSC2)C[NH2+]1 575549850 352636281 /nfs/dbraw/zinc/63/62/81/352636281.db2.gz NKIQYIIXKWWGAY-JGVFFNPUSA-N 2 2 186.324 0.832 10 0 ACAELP C[NH2+]C1(C(=[NH2+])NO)CCCCC1 575550030 352636762 /nfs/dbraw/zinc/63/67/62/352636762.db2.gz ONYCNYPTLJXIPH-UHFFFAOYSA-N 2 2 171.244 0.865 10 0 ACAELP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C2CSC2)C1 575550154 352637428 /nfs/dbraw/zinc/63/74/28/352637428.db2.gz PUKSLCXTVPAMET-YUMQZZPRSA-N 2 2 186.324 0.689 10 0 ACAELP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CSC2)C1 575550153 352637485 /nfs/dbraw/zinc/63/74/85/352637485.db2.gz PUKSLCXTVPAMET-SFYZADRCSA-N 2 2 186.324 0.689 10 0 ACAELP C[C@H]1C[NH2+]C[C@H]([NH2+]C2CSC2)C1 575550149 352637489 /nfs/dbraw/zinc/63/74/89/352637489.db2.gz PUKSLCXTVPAMET-HTQZYQBOSA-N 2 2 186.324 0.689 10 0 ACAELP C[C@@H]1C[NH2+]C[C@H]([NH2+]C2CSC2)C1 575550150 352637500 /nfs/dbraw/zinc/63/75/00/352637500.db2.gz PUKSLCXTVPAMET-JGVFFNPUSA-N 2 2 186.324 0.689 10 0 ACAELP C[C@H]1[NH2+]CC[C@H]1[NH+]1CC=CC1 575550313 352637913 /nfs/dbraw/zinc/63/79/13/352637913.db2.gz SCZMBSBVIBFVHE-RKDXNWHRSA-N 2 2 152.241 0.609 10 0 ACAELP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCF)C2 575550429 352637960 /nfs/dbraw/zinc/63/79/60/352637960.db2.gz RYBOAXWBQOBKFK-DTWKUNHWSA-N 2 2 172.247 0.497 10 0 ACAELP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCF)C2 575550429 352637964 /nfs/dbraw/zinc/63/79/64/352637964.db2.gz RYBOAXWBQOBKFK-DTWKUNHWSA-N 2 2 172.247 0.497 10 0 ACAELP C[C@@]12C[NH2+]C[C@H]1C[N@H+](CCF)C2 575550430 352638023 /nfs/dbraw/zinc/63/80/23/352638023.db2.gz RYBOAXWBQOBKFK-IUCAKERBSA-N 2 2 172.247 0.497 10 0 ACAELP C[C@@]12C[NH2+]C[C@H]1C[N@@H+](CCF)C2 575550430 352638025 /nfs/dbraw/zinc/63/80/25/352638025.db2.gz RYBOAXWBQOBKFK-IUCAKERBSA-N 2 2 172.247 0.497 10 0 ACAELP C[C@@H]1[NH2+]CC[C@H]1[NH+]1CC=CC1 575550310 352638096 /nfs/dbraw/zinc/63/80/96/352638096.db2.gz SCZMBSBVIBFVHE-DTWKUNHWSA-N 2 2 152.241 0.609 10 0 ACAELP C[C@]12C[NH2+]C[C@@H]1C[N@H+](CCF)C2 575550431 352638177 /nfs/dbraw/zinc/63/81/77/352638177.db2.gz RYBOAXWBQOBKFK-RKDXNWHRSA-N 2 2 172.247 0.497 10 0 ACAELP C[C@]12C[NH2+]C[C@@H]1C[N@@H+](CCF)C2 575550431 352638180 /nfs/dbraw/zinc/63/81/80/352638180.db2.gz RYBOAXWBQOBKFK-RKDXNWHRSA-N 2 2 172.247 0.497 10 0 ACAELP C[C@H]1[NH2+]CC[C@@H]1[NH+]1CC=CC1 575550308 352638261 /nfs/dbraw/zinc/63/82/61/352638261.db2.gz SCZMBSBVIBFVHE-BDAKNGLRSA-N 2 2 152.241 0.609 10 0 ACAELP C[C@@H]1[NH2+]CC[C@@H]1[NH+]1CC=CC1 575550311 352638354 /nfs/dbraw/zinc/63/83/54/352638354.db2.gz SCZMBSBVIBFVHE-IUCAKERBSA-N 2 2 152.241 0.609 10 0 ACAELP C[C@H]1[NH2+]CC[C@H]1[NH+]1CC2(CC2)C1 575550761 352639513 /nfs/dbraw/zinc/63/95/13/352639513.db2.gz WAOGYYWGCJJKSW-RKDXNWHRSA-N 2 2 166.268 0.833 10 0 ACAELP C[C@@H]1[NH2+]CC[C@H]1[NH+]1CC2(CC2)C1 575550755 352639547 /nfs/dbraw/zinc/63/95/47/352639547.db2.gz WAOGYYWGCJJKSW-DTWKUNHWSA-N 2 2 166.268 0.833 10 0 ACAELP C[C@H]1[NH2+]CC[C@@H]1[NH+]1CC2(CC2)C1 575550753 352639593 /nfs/dbraw/zinc/63/95/93/352639593.db2.gz WAOGYYWGCJJKSW-BDAKNGLRSA-N 2 2 166.268 0.833 10 0 ACAELP C[C@@H]1[NH2+]CC[C@@H]1[NH+]1CC2(CC2)C1 575550759 352639648 /nfs/dbraw/zinc/63/96/48/352639648.db2.gz WAOGYYWGCJJKSW-IUCAKERBSA-N 2 2 166.268 0.833 10 0 ACAELP C[C@@H]1C[N@@H+](C2CSC2)CCC[NH2+]1 575550908 352640215 /nfs/dbraw/zinc/64/02/15/352640215.db2.gz UZLJTFSRJBUNTB-MRVPVSSYSA-N 2 2 186.324 0.786 10 0 ACAELP C[C@@H]1C[N@H+](C2CSC2)CCC[NH2+]1 575550908 352640218 /nfs/dbraw/zinc/64/02/18/352640218.db2.gz UZLJTFSRJBUNTB-MRVPVSSYSA-N 2 2 186.324 0.786 10 0 ACAELP C[C@H]1C[N@@H+](C2CSC2)CCC[NH2+]1 575550911 352640382 /nfs/dbraw/zinc/64/03/82/352640382.db2.gz UZLJTFSRJBUNTB-QMMMGPOBSA-N 2 2 186.324 0.786 10 0 ACAELP C[C@H]1C[N@H+](C2CSC2)CCC[NH2+]1 575550911 352640385 /nfs/dbraw/zinc/64/03/85/352640385.db2.gz UZLJTFSRJBUNTB-QMMMGPOBSA-N 2 2 186.324 0.786 10 0 ACAELP CC[C@@H]1[NH2+]CC[C@@H]1[NH+]1CC=CC1 575551267 352640690 /nfs/dbraw/zinc/64/06/90/352640690.db2.gz 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575555230 352655208 /nfs/dbraw/zinc/65/52/08/352655208.db2.gz YRCAPIXHCQHXSX-UHFFFAOYSA-N 2 2 169.253 0.321 10 0 ACAELP Cc1[nH+]c([C@@](C)(O)[C@H](C)[NH3+])cn1C 575555729 352656912 /nfs/dbraw/zinc/65/69/12/352656912.db2.gz BAUPWSVZWUFFJX-RCOVLWMOSA-N 2 2 183.255 0.283 10 0 ACAELP Cc1[nH+]c([C@](C)(O)[C@H](C)[NH3+])cn1C 575555726 352656931 /nfs/dbraw/zinc/65/69/31/352656931.db2.gz BAUPWSVZWUFFJX-IMTBSYHQSA-N 2 2 183.255 0.283 10 0 ACAELP Cc1[nH+]c([C@](C)(O)[C@@H](C)[NH3+])cn1C 575555717 352657032 /nfs/dbraw/zinc/65/70/32/352657032.db2.gz BAUPWSVZWUFFJX-HZGVNTEJSA-N 2 2 183.255 0.283 10 0 ACAELP Cc1[nH+]c([C@@](C)(O)[C@@H](C)[NH3+])cn1C 575555727 352657292 /nfs/dbraw/zinc/65/72/92/352657292.db2.gz BAUPWSVZWUFFJX-MUWHJKNJSA-N 2 2 183.255 0.283 10 0 ACAELP Cc1[nH+]c([C@H](O)C(C)(C)[NH3+])cn1C 575557107 352662602 /nfs/dbraw/zinc/66/26/02/352662602.db2.gz KMTJWAAVNZBBLU-QMMMGPOBSA-N 2 2 183.255 0.499 10 0 ACAELP C[C@H]1C[C@@]1([NH3+])Cc1[nH+]ccn1C 575557252 352662825 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WJYIESQZEIVXMC-BBBLOLIVSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H]1[C@H](C)C[N@H+]1[C@]1(C[NH3+])CCOC1 575585673 352803159 /nfs/dbraw/zinc/80/31/59/352803159.db2.gz WJYIESQZEIVXMC-UTLUCORTSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H]1[C@H](C)C[N@@H+]1[C@]1(C[NH3+])CCOC1 575585673 352803161 /nfs/dbraw/zinc/80/31/61/352803161.db2.gz WJYIESQZEIVXMC-UTLUCORTSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@@H]1C[N@H+]([C@]2(C[NH3+])CCOC2)[C@@H]1C 575585667 352803257 /nfs/dbraw/zinc/80/32/57/352803257.db2.gz WJYIESQZEIVXMC-BBBLOLIVSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H]1[C@H](C)C[N@H+]1[C@@]1(C[NH3+])CCOC1 575585671 352803521 /nfs/dbraw/zinc/80/35/21/352803521.db2.gz WJYIESQZEIVXMC-KXUCPTDWSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H]1[C@H](C)C[N@@H+]1[C@@]1(C[NH3+])CCOC1 575585671 352803525 /nfs/dbraw/zinc/80/35/25/352803525.db2.gz WJYIESQZEIVXMC-KXUCPTDWSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@@H]1C[N@@H+]([C@@]2(C[NH3+])CCOC2)[C@@H]1C 575585672 352803794 /nfs/dbraw/zinc/80/37/94/352803794.db2.gz WJYIESQZEIVXMC-OPRDCNLKSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@@H]1C[N@H+]([C@@]2(C[NH3+])CCOC2)[C@@H]1C 575585672 352803795 /nfs/dbraw/zinc/80/37/95/352803795.db2.gz WJYIESQZEIVXMC-OPRDCNLKSA-N 2 2 184.283 0.444 10 0 ACAELP C1C[NH2+][C@@H](C[NH2+]C2CSC2)C1 575585726 352804166 /nfs/dbraw/zinc/80/41/66/352804166.db2.gz MDNFGUBOMLUUKL-SSDOTTSWSA-N 2 2 172.297 0.443 10 0 ACAELP C1C[NH2+][C@H](C[NH2+]C2CSC2)C1 575585727 352804305 /nfs/dbraw/zinc/80/43/05/352804305.db2.gz MDNFGUBOMLUUKL-ZETCQYMHSA-N 2 2 172.297 0.443 10 0 ACAELP C[C@H]1[C@H](C)C[N@@H+]1C[C@H]1CC[NH2+]1 575585824 352804393 /nfs/dbraw/zinc/80/43/93/352804393.db2.gz XVXUJPGTFLZJSM-HRDYMLBCSA-N 2 2 154.257 0.689 10 0 ACAELP C[C@H]1[C@H](C)C[N@H+]1C[C@H]1CC[NH2+]1 575585824 352804395 /nfs/dbraw/zinc/80/43/95/352804395.db2.gz XVXUJPGTFLZJSM-HRDYMLBCSA-N 2 2 154.257 0.689 10 0 ACAELP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]2)[C@@H]1C 575585823 352804538 /nfs/dbraw/zinc/80/45/38/352804538.db2.gz XVXUJPGTFLZJSM-HLTSFMKQSA-N 2 2 154.257 0.689 10 0 ACAELP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]2)[C@@H]1C 575585823 352804540 /nfs/dbraw/zinc/80/45/40/352804540.db2.gz XVXUJPGTFLZJSM-HLTSFMKQSA-N 2 2 154.257 0.689 10 0 ACAELP C[C@H]1[C@H](C)C[N@@H+]1C[C@@H]1CC[NH2+]1 575585826 352804553 /nfs/dbraw/zinc/80/45/53/352804553.db2.gz XVXUJPGTFLZJSM-VGMNWLOBSA-N 2 2 154.257 0.689 10 0 ACAELP C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1CC[NH2+]1 575585826 352804554 /nfs/dbraw/zinc/80/45/54/352804554.db2.gz XVXUJPGTFLZJSM-VGMNWLOBSA-N 2 2 154.257 0.689 10 0 ACAELP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]2)[C@@H]1C 575585825 352804557 /nfs/dbraw/zinc/80/45/57/352804557.db2.gz XVXUJPGTFLZJSM-IWSPIJDZSA-N 2 2 154.257 0.689 10 0 ACAELP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]2)[C@@H]1C 575585825 352804559 /nfs/dbraw/zinc/80/45/59/352804559.db2.gz XVXUJPGTFLZJSM-IWSPIJDZSA-N 2 2 154.257 0.689 10 0 ACAELP C1C[C@@H]([NH+]2CC(C3CC3)C2)C[NH2+]1 575586440 352807585 /nfs/dbraw/zinc/80/75/85/352807585.db2.gz BTSLYCCGPCZCMI-SNVBAGLBSA-N 2 2 166.268 0.690 10 0 ACAELP C1C[C@H]([NH+]2CC(C3CC3)C2)C[NH2+]1 575586439 352807646 /nfs/dbraw/zinc/80/76/46/352807646.db2.gz BTSLYCCGPCZCMI-JTQLQIEISA-N 2 2 166.268 0.690 10 0 ACAELP C[NH2+]C[C@H](C)[N@@H+]1C[C@@H](C)[C@H]1C 575586875 352809553 /nfs/dbraw/zinc/80/95/53/352809553.db2.gz DHXMTAXYSRRXBH-HRDYMLBCSA-N 2 2 156.273 0.935 10 0 ACAELP C[NH2+]C[C@H](C)[N@H+]1C[C@@H](C)[C@H]1C 575586875 352809557 /nfs/dbraw/zinc/80/95/57/352809557.db2.gz DHXMTAXYSRRXBH-HRDYMLBCSA-N 2 2 156.273 0.935 10 0 ACAELP C[NH2+]C[C@H](C)[N@@H+]1C[C@H](C)[C@H]1C 575586878 352809620 /nfs/dbraw/zinc/80/96/20/352809620.db2.gz DHXMTAXYSRRXBH-XHNCKOQMSA-N 2 2 156.273 0.935 10 0 ACAELP C[NH2+]C[C@H](C)[N@H+]1C[C@H](C)[C@H]1C 575586878 352809621 /nfs/dbraw/zinc/80/96/21/352809621.db2.gz DHXMTAXYSRRXBH-XHNCKOQMSA-N 2 2 156.273 0.935 10 0 ACAELP C[NH2+]C[C@H](C)[N@@H+]1C[C@@H](C)[C@@H]1C 575586877 352809643 /nfs/dbraw/zinc/80/96/43/352809643.db2.gz DHXMTAXYSRRXBH-VGMNWLOBSA-N 2 2 156.273 0.935 10 0 ACAELP C[NH2+]C[C@H](C)[N@H+]1C[C@@H](C)[C@@H]1C 575586877 352809644 /nfs/dbraw/zinc/80/96/44/352809644.db2.gz DHXMTAXYSRRXBH-VGMNWLOBSA-N 2 2 156.273 0.935 10 0 ACAELP C[NH2+]C[C@H](C)[N@@H+]1C[C@H](C)[C@@H]1C 575586874 352809657 /nfs/dbraw/zinc/80/96/57/352809657.db2.gz DHXMTAXYSRRXBH-CIUDSAMLSA-N 2 2 156.273 0.935 10 0 ACAELP C[NH2+]C[C@H](C)[N@H+]1C[C@H](C)[C@@H]1C 575586874 352809660 /nfs/dbraw/zinc/80/96/60/352809660.db2.gz DHXMTAXYSRRXBH-CIUDSAMLSA-N 2 2 156.273 0.935 10 0 ACAELP C[C@@H]([NH3+])C[NH+]1CC(C2CC2)C1 575586998 352809709 /nfs/dbraw/zinc/80/97/09/352809709.db2.gz KCSJDEKSEZTXAD-SSDOTTSWSA-N 2 2 154.257 0.675 10 0 ACAELP C[C@H]([NH3+])C[NH+]1CC(C2CC2)C1 575586999 352809868 /nfs/dbraw/zinc/80/98/68/352809868.db2.gz KCSJDEKSEZTXAD-ZETCQYMHSA-N 2 2 154.257 0.675 10 0 ACAELP C[C@@H](C[NH3+])[NH+]1CC(C2CC2)C1 575587129 352810333 /nfs/dbraw/zinc/81/03/33/352810333.db2.gz LKRWXZVLTATFMU-ZETCQYMHSA-N 2 2 154.257 0.675 10 0 ACAELP C[C@H](C[NH3+])[NH+]1CC(C2CC2)C1 575587125 352810438 /nfs/dbraw/zinc/81/04/38/352810438.db2.gz LKRWXZVLTATFMU-SSDOTTSWSA-N 2 2 154.257 0.675 10 0 ACAELP C/C=C/[C@H]([NH3+])Cn1cc[nH+]c1 575587724 352813424 /nfs/dbraw/zinc/81/34/24/352813424.db2.gz MJHFCDHMZUGBIR-SGJFDWMWSA-N 2 2 151.213 0.787 10 0 ACAELP C/C=C/[C@@H]([NH3+])Cn1cc[nH+]c1 575587725 352813525 /nfs/dbraw/zinc/81/35/25/352813525.db2.gz MJHFCDHMZUGBIR-UFUPEUMYSA-N 2 2 151.213 0.787 10 0 ACAELP C/C=C/C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 575588091 352816055 /nfs/dbraw/zinc/81/60/55/352816055.db2.gz HBTHXXSYHDAPIA-DXMIZCBPSA-N 2 2 154.257 0.984 10 0 ACAELP C/C=C/C[N@H+]1C[C@H]([NH3+])C[C@@H]1C 575588091 352816056 /nfs/dbraw/zinc/81/60/56/352816056.db2.gz HBTHXXSYHDAPIA-DXMIZCBPSA-N 2 2 154.257 0.984 10 0 ACAELP C/C=C/C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 575588093 352816264 /nfs/dbraw/zinc/81/62/64/352816264.db2.gz HBTHXXSYHDAPIA-FBFNWGNUSA-N 2 2 154.257 0.984 10 0 ACAELP C/C=C/C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 575588093 352816268 /nfs/dbraw/zinc/81/62/68/352816268.db2.gz HBTHXXSYHDAPIA-FBFNWGNUSA-N 2 2 154.257 0.984 10 0 ACAELP C/C=C/C[N@@H+]1C[C@H]([NH3+])C[C@H]1C 575588094 352816314 /nfs/dbraw/zinc/81/63/14/352816314.db2.gz HBTHXXSYHDAPIA-HUGTUPKYSA-N 2 2 154.257 0.984 10 0 ACAELP C/C=C/C[N@H+]1C[C@H]([NH3+])C[C@H]1C 575588094 352816316 /nfs/dbraw/zinc/81/63/16/352816316.db2.gz HBTHXXSYHDAPIA-HUGTUPKYSA-N 2 2 154.257 0.984 10 0 ACAELP C/C=C/C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 575588090 352816362 /nfs/dbraw/zinc/81/63/62/352816362.db2.gz HBTHXXSYHDAPIA-BKIAHZASSA-N 2 2 154.257 0.984 10 0 ACAELP C/C=C/C[N@H+]1C[C@@H]([NH3+])C[C@H]1C 575588090 352816365 /nfs/dbraw/zinc/81/63/65/352816365.db2.gz HBTHXXSYHDAPIA-BKIAHZASSA-N 2 2 154.257 0.984 10 0 ACAELP C[C@H]1COC[C@H](C)[NH+]1C(C)(C)C[NH3+] 575588576 352818510 /nfs/dbraw/zinc/81/85/10/352818510.db2.gz CCOBYCMITNXAHA-IUCAKERBSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@H]1COC[C@@H](C)[N@@H+]1C(C)(C)C[NH3+] 575588574 352818523 /nfs/dbraw/zinc/81/85/23/352818523.db2.gz CCOBYCMITNXAHA-DTORHVGOSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@H]1COC[C@@H](C)[N@H+]1C(C)(C)C[NH3+] 575588574 352818524 /nfs/dbraw/zinc/81/85/24/352818524.db2.gz CCOBYCMITNXAHA-DTORHVGOSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]1COC[C@@H](C)[NH+]1C(C)(C)C[NH3+] 575588579 352818645 /nfs/dbraw/zinc/81/86/45/352818645.db2.gz CCOBYCMITNXAHA-RKDXNWHRSA-N 2 2 186.299 0.833 10 0 ACAELP C[C@@H]1CC[N@H+]1[C@@]1(C[NH3+])CCSC1 575589012 352821271 /nfs/dbraw/zinc/82/12/71/352821271.db2.gz FUUCPYIVRFSYCJ-RKDXNWHRSA-N 2 2 186.324 0.915 10 0 ACAELP C[C@@H]1CC[N@@H+]1[C@@]1(C[NH3+])CCSC1 575589012 352821269 /nfs/dbraw/zinc/82/12/69/352821269.db2.gz FUUCPYIVRFSYCJ-RKDXNWHRSA-N 2 2 186.324 0.915 10 0 ACAELP C[C@H]1CC[N@@H+]1[C@@]1(C[NH3+])CCSC1 575589003 352821581 /nfs/dbraw/zinc/82/15/81/352821581.db2.gz FUUCPYIVRFSYCJ-DTWKUNHWSA-N 2 2 186.324 0.915 10 0 ACAELP C[C@H]1CC[N@H+]1[C@@]1(C[NH3+])CCSC1 575589003 352821583 /nfs/dbraw/zinc/82/15/83/352821583.db2.gz FUUCPYIVRFSYCJ-DTWKUNHWSA-N 2 2 186.324 0.915 10 0 ACAELP CC1(C)CC[N@@H+]1C1(C[NH3+])CSC1 575589072 352821617 /nfs/dbraw/zinc/82/16/17/352821617.db2.gz ODQUWPBBRIXMLR-UHFFFAOYSA-N 2 2 186.324 0.915 10 0 ACAELP CC1(C)CC[N@H+]1C1(C[NH3+])CSC1 575589072 352821619 /nfs/dbraw/zinc/82/16/19/352821619.db2.gz ODQUWPBBRIXMLR-UHFFFAOYSA-N 2 2 186.324 0.915 10 0 ACAELP C[C@H]1CC[N@@H+]1[C@]1(C[NH3+])CCSC1 575589008 352821625 /nfs/dbraw/zinc/82/16/25/352821625.db2.gz FUUCPYIVRFSYCJ-IUCAKERBSA-N 2 2 186.324 0.915 10 0 ACAELP C[C@H]1CC[N@H+]1[C@]1(C[NH3+])CCSC1 575589008 352821626 /nfs/dbraw/zinc/82/16/26/352821626.db2.gz FUUCPYIVRFSYCJ-IUCAKERBSA-N 2 2 186.324 0.915 10 0 ACAELP C[C@@H]1CC[N@@H+]1[C@]1(C[NH3+])CCSC1 575589001 352821671 /nfs/dbraw/zinc/82/16/71/352821671.db2.gz FUUCPYIVRFSYCJ-BDAKNGLRSA-N 2 2 186.324 0.915 10 0 ACAELP C[C@@H]1CC[N@H+]1[C@]1(C[NH3+])CCSC1 575589001 352821673 /nfs/dbraw/zinc/82/16/73/352821673.db2.gz FUUCPYIVRFSYCJ-BDAKNGLRSA-N 2 2 186.324 0.915 10 0 ACAELP C[C@@H]1CC[N@@H+]1[C@@H]1CC[NH2+]C[C@H]1F 575589228 352822226 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/nfs/dbraw/zinc/70/32/90/409703290.db2.gz HNXBSXDRXUYUKI-UHFFFAOYSA-N 2 2 194.282 0.566 10 0 ACAELP Cc1cc(C[N@@H+](C)CCC[NH3+])ncn1 662244495 409703297 /nfs/dbraw/zinc/70/32/97/409703297.db2.gz HNXBSXDRXUYUKI-UHFFFAOYSA-N 2 2 194.282 0.566 10 0 ACAELP C[C@H]1CC[C@@H](C)[N@@H+]1C[C@@H]1C[NH2+]CCO1 662259167 409704709 /nfs/dbraw/zinc/70/47/09/409704709.db2.gz REHDLSZDCSPBBV-AXFHLTTASA-N 2 2 198.310 0.848 10 0 ACAELP C[C@H]1CC[C@@H](C)[N@H+]1C[C@@H]1C[NH2+]CCO1 662259167 409704718 /nfs/dbraw/zinc/70/47/18/409704718.db2.gz REHDLSZDCSPBBV-AXFHLTTASA-N 2 2 198.310 0.848 10 0 ACAELP C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H]1C[NH2+]CCO1 662259169 409705790 /nfs/dbraw/zinc/70/57/90/409705790.db2.gz REHDLSZDCSPBBV-MXWKQRLJSA-N 2 2 198.310 0.848 10 0 ACAELP CC(C)[N@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 662253053 409706454 /nfs/dbraw/zinc/70/64/54/409706454.db2.gz TYVNUXHNABYRIC-NSHDSACASA-N 2 2 198.310 0.848 10 0 ACAELP C[C@H]1CC[C@@H](C)[N@@H+]1C[C@H]1C[NH2+]CCO1 662259170 409706200 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TYVNUXHNABYRIC-LLVKDONJSA-N 2 2 198.310 0.848 10 0 ACAELP CC(C)[N@@H+](C[C@H]1C[NH2+]CCO1)C1CC1 662253052 409708210 /nfs/dbraw/zinc/70/82/10/409708210.db2.gz TYVNUXHNABYRIC-LLVKDONJSA-N 2 2 198.310 0.848 10 0 ACAELP CC[N@H+](C[C@@H]1C[NH2+]CCO1)C1CCC1 662255945 409708508 /nfs/dbraw/zinc/70/85/08/409708508.db2.gz GVXSVEMJIQHDSA-NSHDSACASA-N 2 2 198.310 0.849 10 0 ACAELP CC[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CCC1 662255945 409708510 /nfs/dbraw/zinc/70/85/10/409708510.db2.gz GVXSVEMJIQHDSA-NSHDSACASA-N 2 2 198.310 0.849 10 0 ACAELP C[C@]12COC[C@@]1(C)C[N@H+](CC[NH3+])C2 662301158 409710067 /nfs/dbraw/zinc/71/00/67/409710067.db2.gz BHVBAWRJPIJIJU-AOOOYVTPSA-N 2 2 184.283 0.304 10 0 ACAELP C[C@]12COC[C@@]1(C)C[N@@H+](CC[NH3+])C2 662301158 409710075 /nfs/dbraw/zinc/71/00/75/409710075.db2.gz BHVBAWRJPIJIJU-AOOOYVTPSA-N 2 2 184.283 0.304 10 0 ACAELP CO[C@@H](C[N@H+](C)CC[NH3+])C1CCC1 662280313 409711339 /nfs/dbraw/zinc/71/13/39/409711339.db2.gz CJOGRBYHROMQIS-JTQLQIEISA-N 2 2 186.299 0.692 10 0 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/nfs/dbraw/zinc/71/50/86/409715086.db2.gz CQXYRDCIYOEGPT-DCAQKATOSA-N 2 2 196.294 0.317 10 0 ACAELP CC(C)OCC[N@@H+]1CC2CC1(C[NH3+])C2 662307384 409715766 /nfs/dbraw/zinc/71/57/66/409715766.db2.gz HFNJKKSJFKFPBZ-UHFFFAOYSA-N 2 2 198.310 0.835 10 0 ACAELP CC(C)OCC[N@H+]1CC2CC1(C[NH3+])C2 662307384 409715777 /nfs/dbraw/zinc/71/57/77/409715777.db2.gz HFNJKKSJFKFPBZ-UHFFFAOYSA-N 2 2 198.310 0.835 10 0 ACAELP [NH3+]CC12CC(C[N@@H+]1C[C@H]1CC[NH2+]C1)C2 662304996 409716172 /nfs/dbraw/zinc/71/61/72/409716172.db2.gz WDGBJBGLIJYZAO-WHXUTIOJSA-N 3 2 195.310 0.019 10 0 ACAELP [NH3+]CC12CC(C[N@H+]1C[C@H]1CC[NH2+]C1)C2 662304996 409716180 /nfs/dbraw/zinc/71/61/80/409716180.db2.gz WDGBJBGLIJYZAO-WHXUTIOJSA-N 3 2 195.310 0.019 10 0 ACAELP C1CO[C@H](C[N@@H+]2CC[C@@H]3C[C@@H]3C2)C[NH2+]1 662314278 409716210 /nfs/dbraw/zinc/71/62/10/409716210.db2.gz CQXYRDCIYOEGPT-MXWKQRLJSA-N 2 2 196.294 0.317 10 0 ACAELP C1CO[C@H](C[N@H+]2CC[C@@H]3C[C@@H]3C2)C[NH2+]1 662314278 409716219 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192.266 0.184 10 0 ACAELP CCOCC[N@@H+]1CC2CC1(C[NH3+])C2 662307789 409718082 /nfs/dbraw/zinc/71/80/82/409718082.db2.gz QVBBIPXMSNHDHF-UHFFFAOYSA-N 2 2 184.283 0.446 10 0 ACAELP CCOCC[N@H+]1CC2CC1(C[NH3+])C2 662307789 409718089 /nfs/dbraw/zinc/71/80/89/409718089.db2.gz QVBBIPXMSNHDHF-UHFFFAOYSA-N 2 2 184.283 0.446 10 0 ACAELP CC12CC(C[N@@H+]1C[C@@H]1C[NH2+]CCO1)C2 662338381 409721050 /nfs/dbraw/zinc/72/10/50/409721050.db2.gz RDVHABOBHVVTAP-YVNMAJEFSA-N 2 2 196.294 0.459 10 0 ACAELP CC12CC(C[N@H+]1C[C@@H]1C[NH2+]CCO1)C2 662338381 409721056 /nfs/dbraw/zinc/72/10/56/409721056.db2.gz RDVHABOBHVVTAP-YVNMAJEFSA-N 2 2 196.294 0.459 10 0 ACAELP CC12CC(C[N@@H+]1C[C@H]1C[NH2+]CCO1)C2 662338380 409721066 /nfs/dbraw/zinc/72/10/66/409721066.db2.gz RDVHABOBHVVTAP-HSOILSAZSA-N 2 2 196.294 0.459 10 0 ACAELP CC12CC(C[N@H+]1C[C@H]1C[NH2+]CCO1)C2 662338380 409721072 /nfs/dbraw/zinc/72/10/72/409721072.db2.gz RDVHABOBHVVTAP-HSOILSAZSA-N 2 2 196.294 0.459 10 0 ACAELP Cc1cnn(CC[N@@H+](C)[C@H](C)C[NH3+])c1 308463902 409722199 /nfs/dbraw/zinc/72/21/99/409722199.db2.gz HEKIBQRFQPHEGX-SNVBAGLBSA-N 2 2 196.298 0.471 10 0 ACAELP Cc1cnn(CC[N@H+](C)[C@H](C)C[NH3+])c1 308463902 409722204 /nfs/dbraw/zinc/72/22/04/409722204.db2.gz HEKIBQRFQPHEGX-SNVBAGLBSA-N 2 2 196.298 0.471 10 0 ACAELP CC[C@H](O)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C 308440810 409722241 /nfs/dbraw/zinc/72/22/41/409722241.db2.gz YVPWOQRLZXMKLC-GUBZILKMSA-N 2 2 186.299 0.297 10 0 ACAELP CC[C@H](O)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C 308440810 409722246 /nfs/dbraw/zinc/72/22/46/409722246.db2.gz YVPWOQRLZXMKLC-GUBZILKMSA-N 2 2 186.299 0.297 10 0 ACAELP CC[C@H](O)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 308440812 409722321 /nfs/dbraw/zinc/72/23/21/409722321.db2.gz YVPWOQRLZXMKLC-LPEHRKFASA-N 2 2 186.299 0.297 10 0 ACAELP CC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 308440812 409722325 /nfs/dbraw/zinc/72/23/25/409722325.db2.gz YVPWOQRLZXMKLC-LPEHRKFASA-N 2 2 186.299 0.297 10 0 ACAELP CC[C@H](O)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C 308440813 409723231 /nfs/dbraw/zinc/72/32/31/409723231.db2.gz YVPWOQRLZXMKLC-UTLUCORTSA-N 2 2 186.299 0.297 10 0 ACAELP CC[C@H](O)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 308440813 409723244 /nfs/dbraw/zinc/72/32/44/409723244.db2.gz YVPWOQRLZXMKLC-UTLUCORTSA-N 2 2 186.299 0.297 10 0 ACAELP CC[C@H](O)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C 308440811 409724097 /nfs/dbraw/zinc/72/40/97/409724097.db2.gz YVPWOQRLZXMKLC-KXUCPTDWSA-N 2 2 186.299 0.297 10 0 ACAELP CC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 308440811 409724109 /nfs/dbraw/zinc/72/41/09/409724109.db2.gz YVPWOQRLZXMKLC-KXUCPTDWSA-N 2 2 186.299 0.297 10 0 ACAELP Cc1cnn(CC[N@@H+](C)[C@@H](C)C[NH3+])c1 308463900 409724545 /nfs/dbraw/zinc/72/45/45/409724545.db2.gz HEKIBQRFQPHEGX-JTQLQIEISA-N 2 2 196.298 0.471 10 0 ACAELP Cc1cnn(CC[N@H+](C)[C@@H](C)C[NH3+])c1 308463900 409724554 /nfs/dbraw/zinc/72/45/54/409724554.db2.gz HEKIBQRFQPHEGX-JTQLQIEISA-N 2 2 196.298 0.471 10 0 ACAELP CC[C@@H](C)[C@H]([NH3+])c1nc(C[NH3+])no1 308596792 409739595 /nfs/dbraw/zinc/73/95/95/409739595.db2.gz ZBUZOZTWRYOWBL-VDTYLAMSSA-N 2 2 184.243 0.574 10 0 ACAELP CC[C@@H](C)[C@@H]([NH3+])c1nc(C[NH3+])no1 308596791 409739750 /nfs/dbraw/zinc/73/97/50/409739750.db2.gz ZBUZOZTWRYOWBL-IYSWYEEDSA-N 2 2 184.243 0.574 10 0 ACAELP CC[C@H](C)[C@@H]([NH3+])c1nc(C[NH3+])no1 308596788 409741595 /nfs/dbraw/zinc/74/15/95/409741595.db2.gz ZBUZOZTWRYOWBL-CAHLUQPWSA-N 2 2 184.243 0.574 10 0 ACAELP C[N@H+](CCC[NH3+])C[C@@]1(C)CC[NH2+]C1 308654680 409746469 /nfs/dbraw/zinc/74/64/69/409746469.db2.gz NKAKAQOFILAXPE-JTQLQIEISA-N 3 2 185.315 0.267 10 0 ACAELP C[N@@H+](CCC[NH3+])C[C@@]1(C)CC[NH2+]C1 308654680 409746475 /nfs/dbraw/zinc/74/64/75/409746475.db2.gz NKAKAQOFILAXPE-JTQLQIEISA-N 3 2 185.315 0.267 10 0 ACAELP C[N@H+](CCC[NH3+])C[C@]1(C)CC[NH2+]C1 308654681 409747860 /nfs/dbraw/zinc/74/78/60/409747860.db2.gz NKAKAQOFILAXPE-SNVBAGLBSA-N 3 2 185.315 0.267 10 0 ACAELP C[N@@H+](CCC[NH3+])C[C@]1(C)CC[NH2+]C1 308654681 409747865 /nfs/dbraw/zinc/74/78/65/409747865.db2.gz NKAKAQOFILAXPE-SNVBAGLBSA-N 3 2 185.315 0.267 10 0 ACAELP CC(C)[C@@H](c1nc(C[NH3+])no1)[NH+](C)C 308815731 409752719 /nfs/dbraw/zinc/75/27/19/409752719.db2.gz DZYYPJVFTBLLTG-QMMMGPOBSA-N 2 2 198.270 0.787 10 0 ACAELP CC(C)[C@H](c1nc(C[NH3+])no1)[NH+](C)C 308815727 409753930 /nfs/dbraw/zinc/75/39/30/409753930.db2.gz DZYYPJVFTBLLTG-MRVPVSSYSA-N 2 2 198.270 0.787 10 0 ACAELP C[NH2+]CCC[NH+]1CCC([NH2+]C)CC1 308734093 409754821 /nfs/dbraw/zinc/75/48/21/409754821.db2.gz KPRDFSMEPZVLSC-UHFFFAOYSA-N 3 2 185.315 0.280 10 0 ACAELP C[NH2+]CCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 309073645 409766034 /nfs/dbraw/zinc/76/60/34/409766034.db2.gz HSWUZWBRXLHDJD-LLVKDONJSA-N 3 2 199.342 0.670 10 0 ACAELP C[NH2+]CCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 309073645 409766040 /nfs/dbraw/zinc/76/60/40/409766040.db2.gz HSWUZWBRXLHDJD-LLVKDONJSA-N 3 2 199.342 0.670 10 0 ACAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCOCC1CC1 309023021 409768375 /nfs/dbraw/zinc/76/83/75/409768375.db2.gz YKSKMKXSFGEISJ-NSHDSACASA-N 2 2 198.310 0.836 10 0 ACAELP [NH3+]C[C@@H]1CCC[N@H+]1CCOCC1CC1 309023021 409768381 /nfs/dbraw/zinc/76/83/81/409768381.db2.gz YKSKMKXSFGEISJ-NSHDSACASA-N 2 2 198.310 0.836 10 0 ACAELP C[NH2+]CCC[N@H+](C)[C@H]1CCC[NH2+]CC1 309073646 409768640 /nfs/dbraw/zinc/76/86/40/409768640.db2.gz HSWUZWBRXLHDJD-NSHDSACASA-N 3 2 199.342 0.670 10 0 ACAELP C[NH2+]CCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 309073646 409768646 /nfs/dbraw/zinc/76/86/46/409768646.db2.gz HSWUZWBRXLHDJD-NSHDSACASA-N 3 2 199.342 0.670 10 0 ACAELP C[NH2+]Cc1nc([C@H]([NH3+])CC(C)C)no1 309104349 409770410 /nfs/dbraw/zinc/77/04/10/409770410.db2.gz HFQMPRPDBCMRDS-SSDOTTSWSA-N 2 2 198.270 0.835 10 0 ACAELP C[NH2+]Cc1nc([C@@H]([NH3+])CC(C)C)no1 309104350 409772313 /nfs/dbraw/zinc/77/23/13/409772313.db2.gz HFQMPRPDBCMRDS-ZETCQYMHSA-N 2 2 198.270 0.835 10 0 ACAELP C[NH2+]C[C@H](C)Nc1cc(C)[nH+]cn1 663278732 409774270 /nfs/dbraw/zinc/77/42/70/409774270.db2.gz LGQZEKQQGFGHNI-QMMMGPOBSA-N 2 2 180.255 0.805 10 0 ACAELP C[NH2+]C[C@H](C)Nc1cc[nH+]c(C)n1 663279369 409775103 /nfs/dbraw/zinc/77/51/03/409775103.db2.gz QNYSYGCKGTXVAT-ZETCQYMHSA-N 2 2 180.255 0.805 10 0 ACAELP C[NH2+]C[C@@H](C)Nc1cc(C)[nH+]cn1 663278731 409775374 /nfs/dbraw/zinc/77/53/74/409775374.db2.gz LGQZEKQQGFGHNI-MRVPVSSYSA-N 2 2 180.255 0.805 10 0 ACAELP C[NH2+]C[C@@H](C)Nc1cc[nH+]c(C)n1 663279368 409775397 /nfs/dbraw/zinc/77/53/97/409775397.db2.gz QNYSYGCKGTXVAT-SSDOTTSWSA-N 2 2 180.255 0.805 10 0 ACAELP CC[C@@H](O)C[NH2+]CCc1cn(C)c[nH+]1 313250812 409776854 /nfs/dbraw/zinc/77/68/54/409776854.db2.gz CUROMRALOHUBDH-SNVBAGLBSA-N 2 2 197.282 0.323 10 0 ACAELP CC[C@H](O)C[NH2+]CCc1cn(C)c[nH+]1 313250811 409778234 /nfs/dbraw/zinc/77/82/34/409778234.db2.gz CUROMRALOHUBDH-JTQLQIEISA-N 2 2 197.282 0.323 10 0 ACAELP Cn1c[nH+]c(CC[NH2+]CC(C)(C)O)c1 313267427 409778301 /nfs/dbraw/zinc/77/83/01/409778301.db2.gz UCLHSYZBYPDENL-UHFFFAOYSA-N 2 2 197.282 0.323 10 0 ACAELP CC(C)[C@H]([NH3+])CC[NH2+]C1CC[NH2+]CC1 663502396 409784253 /nfs/dbraw/zinc/78/42/53/409784253.db2.gz HVSKSHPWUSTHCJ-LLVKDONJSA-N 3 2 199.342 0.701 10 0 ACAELP [NH3+]CC1(C[NH2+]CC23CC(C[NH2+]2)C3)CC1 663500644 409784700 /nfs/dbraw/zinc/78/47/00/409784700.db2.gz MIVJAZFWCGKGES-UHFFFAOYSA-N 3 2 195.310 0.067 10 0 ACAELP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC[NH2+]C1 663502626 409785887 /nfs/dbraw/zinc/78/58/87/409785887.db2.gz JDLBXBXKXXKBDA-GHMZBOCLSA-N 3 2 199.342 0.701 10 0 ACAELP CC(C)[C@H]([NH3+])CC[NH2+]CC(C)(C)[NH3+] 663498710 409786166 /nfs/dbraw/zinc/78/61/66/409786166.db2.gz DMOMCFBBLUXQKM-SECBINFHSA-N 3 2 187.331 0.687 10 0 ACAELP FC1(C[NH2+]CC23CC(C[NH2+]2)C3)CC1 663499180 409786649 /nfs/dbraw/zinc/78/66/49/409786649.db2.gz BSKXSBZLYHFRDG-UHFFFAOYSA-N 2 2 184.258 0.830 10 0 ACAELP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCC[NH2+]C1 663502627 409786817 /nfs/dbraw/zinc/78/68/17/409786817.db2.gz JDLBXBXKXXKBDA-WDEREUQCSA-N 3 2 199.342 0.701 10 0 ACAELP C[NH2+]C[C@H](C)NCc1[nH+]ccn1C 663507999 409787560 /nfs/dbraw/zinc/78/75/60/409787560.db2.gz FYQCXXCDBQIQJU-QMMMGPOBSA-N 2 2 182.271 0.118 10 0 ACAELP 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COC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C 379387155 409840884 /nfs/dbraw/zinc/84/08/84/409840884.db2.gz GSSZMWPGYAIFFM-UTLUCORTSA-N 2 2 186.299 0.561 10 0 ACAELP COC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 379387155 409840889 /nfs/dbraw/zinc/84/08/89/409840889.db2.gz GSSZMWPGYAIFFM-UTLUCORTSA-N 2 2 186.299 0.561 10 0 ACAELP CC(C)C[C@@H]([NH3+])c1nc(C[NH3+])no1 379568917 409848369 /nfs/dbraw/zinc/84/83/69/409848369.db2.gz ACFSGWNNKFKYIP-ZCFIWIBFSA-N 2 2 184.243 0.574 10 0 ACAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCc1cn[nH]c1 379543081 409849537 /nfs/dbraw/zinc/84/95/37/409849537.db2.gz RZHZEWZGDOGCGV-JTQLQIEISA-N 2 2 194.282 0.375 10 0 ACAELP [NH3+]C[C@@H]1CCC[N@H+]1CCc1cn[nH]c1 379543081 409849544 /nfs/dbraw/zinc/84/95/44/409849544.db2.gz RZHZEWZGDOGCGV-JTQLQIEISA-N 2 2 194.282 0.375 10 0 ACAELP CC(C)C[C@@H]([NH3+])c1noc(C[NH3+])n1 379575518 409851892 /nfs/dbraw/zinc/85/18/92/409851892.db2.gz MCFJVQKXNOHQEN-ZCFIWIBFSA-N 2 2 184.243 0.574 10 0 ACAELP CC(C)C[C@H]([NH3+])c1noc(C[NH3+])n1 379575458 409852101 /nfs/dbraw/zinc/85/21/01/409852101.db2.gz MCFJVQKXNOHQEN-LURJTMIESA-N 2 2 184.243 0.574 10 0 ACAELP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCO1 665236806 409853233 /nfs/dbraw/zinc/85/32/33/409853233.db2.gz UYRZYUWDJQIQQJ-DCAQKATOSA-N 2 2 198.310 0.753 10 0 ACAELP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCO1 665236807 409853830 /nfs/dbraw/zinc/85/38/30/409853830.db2.gz UYRZYUWDJQIQQJ-GARJFASQSA-N 2 2 198.310 0.753 10 0 ACAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C/C=C/CO 665238689 409855470 /nfs/dbraw/zinc/85/54/70/409855470.db2.gz ALHVPLZREKWLRB-NBYFHADBSA-N 2 2 184.283 0.123 10 0 ACAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C/C=C\CO 665238687 409857163 /nfs/dbraw/zinc/85/71/63/409857163.db2.gz ALHVPLZREKWLRB-JAFKPYBISA-N 2 2 184.283 0.123 10 0 ACAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C/C=C\CO 665238688 409858316 /nfs/dbraw/zinc/85/83/16/409858316.db2.gz ALHVPLZREKWLRB-LTFJCZIQSA-N 2 2 184.283 0.123 10 0 ACAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C/C=C/CO 665238686 409858647 /nfs/dbraw/zinc/85/86/47/409858647.db2.gz ALHVPLZREKWLRB-HLKOZVMDSA-N 2 2 184.283 0.123 10 0 ACAELP c1cc(CC[NH2+][C@@H]2CC[NH2+]C2)co1 665263337 409860102 /nfs/dbraw/zinc/86/01/02/409860102.db2.gz KPOSVVKYHGIHEQ-SNVBAGLBSA-N 2 2 180.251 0.774 10 0 ACAELP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)O1 665264945 409861826 /nfs/dbraw/zinc/86/18/26/409861826.db2.gz MIMDYXHWRNCEMJ-MXWKQRLJSA-N 2 2 198.310 0.896 10 0 ACAELP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]C2)O1 665264946 409862666 /nfs/dbraw/zinc/86/26/66/409862666.db2.gz MIMDYXHWRNCEMJ-OUAUKWLOSA-N 2 2 198.310 0.896 10 0 ACAELP C[NH2+]CCC[NH+]1[C@@H](C)COC[C@@H]1C 379655578 409862673 /nfs/dbraw/zinc/86/26/73/409862673.db2.gz KDQIOVSGFIDWPY-UWVGGRQHSA-N 2 2 186.299 0.705 10 0 ACAELP c1cc(CC[NH2+][C@H]2CC[NH2+]C2)co1 665263336 409862885 /nfs/dbraw/zinc/86/28/85/409862885.db2.gz KPOSVVKYHGIHEQ-JTQLQIEISA-N 2 2 180.251 0.774 10 0 ACAELP C[NH2+]CCC[N@@H+]1[C@@H](C)COC[C@H]1C 379655576 409862993 /nfs/dbraw/zinc/86/29/93/409862993.db2.gz 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573295693 /nfs/dbraw/zinc/29/56/93/573295693.db2.gz KSLCQGRUKDFPQG-LURJTMIESA-N 2 2 181.243 0.114 10 0 ACAELP C[N@H+]1CC[C@H](c2c[nH]c(NN)[nH+]2)C1 259070300 573295708 /nfs/dbraw/zinc/29/57/08/573295708.db2.gz KSLCQGRUKDFPQG-LURJTMIESA-N 2 2 181.243 0.114 10 0 ACAELP C[N@@H+]1CCC2CC1(C[NH3+])C2 238335722 573296158 /nfs/dbraw/zinc/29/61/58/573296158.db2.gz QGKVGJZCNYUEQZ-UHFFFAOYSA-N 2 2 140.230 0.429 10 0 ACAELP C[N@H+]1CCC2CC1(C[NH3+])C2 238335722 573296168 /nfs/dbraw/zinc/29/61/68/573296168.db2.gz QGKVGJZCNYUEQZ-UHFFFAOYSA-N 2 2 140.230 0.429 10 0 ACAELP CN1CC[C@@]([NH3+])(C[NH+]2CCCC2)C1 221332768 573298651 /nfs/dbraw/zinc/29/86/51/573298651.db2.gz LNDYGKKGMOSFCV-JTQLQIEISA-N 2 2 183.299 0.115 10 0 ACAELP C[N@H+]1CC[C@@](N)(C[NH+]2CCCC2)C1 221332768 573298659 /nfs/dbraw/zinc/29/86/59/573298659.db2.gz LNDYGKKGMOSFCV-JTQLQIEISA-N 2 2 183.299 0.115 10 0 ACAELP CC[NH+](CC)CC[C@@]1([NH3+])CC[NH2+]C1 221357800 573302445 /nfs/dbraw/zinc/30/24/45/573302445.db2.gz YHHCJQXJTWTBKX-JTQLQIEISA-N 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C[NH2+]C[C@@H]1CCO[C@@H]1c1c[nH+]cn1C 86246016 573334491 /nfs/dbraw/zinc/33/44/91/573334491.db2.gz GTONJIMWIGPZIM-WPRPVWTQSA-N 2 2 195.266 0.717 10 0 ACAELP CCn1c[nH+]cc1[C@H]1OCC[C@H]1[NH3+] 86249608 573337999 /nfs/dbraw/zinc/33/79/99/573337999.db2.gz QPHIQAIQPFVBAK-APPZFPTMSA-N 2 2 181.239 0.692 10 0 ACAELP Cn1c[nH+]cc1[C@@H]1OCC[C@H]1[NH3+] 86249293 573338123 /nfs/dbraw/zinc/33/81/23/573338123.db2.gz FDIRRJGSFASHHJ-HTRCEHHLSA-N 2 2 167.212 0.209 10 0 ACAELP [NH3+]C[C@H]([NH3+])CN1CCc2ccccc21 259086850 573342062 /nfs/dbraw/zinc/34/20/62/573342062.db2.gz YPIISPPBGLDBKY-JTQLQIEISA-N 2 2 191.278 0.335 10 0 ACAELP [NH3+]C[C@@H]([NH2+]C1CC1)c1cccnc1 50271225 573342217 /nfs/dbraw/zinc/34/22/17/573342217.db2.gz IRBNYIPTPYLKMG-SNVBAGLBSA-N 2 2 177.251 0.833 10 0 ACAELP CC(C)[NH2+][C@]1(CCO)CC[N@H+](C)C1 215167250 573342303 /nfs/dbraw/zinc/34/23/03/573342303.db2.gz UJXUYKDSHXJJIS-JTQLQIEISA-N 2 2 186.299 0.441 10 0 ACAELP CC(C)[NH2+][C@]1(CCO)CC[N@@H+](C)C1 215167250 573342308 /nfs/dbraw/zinc/34/23/08/573342308.db2.gz UJXUYKDSHXJJIS-JTQLQIEISA-N 2 2 186.299 0.441 10 0 ACAELP C[C@H]1[NH2+]CC[C@@H]1C[NH+]1CCN(C)CC1 86272462 573347774 /nfs/dbraw/zinc/34/77/74/573347774.db2.gz XEABWKZUTFMHIB-GHMZBOCLSA-N 2 2 197.326 0.232 10 0 ACAELP C[C@@H]1[NH2+]CC[C@H]1C[NH+]1CCN(C)CC1 86272461 573347424 /nfs/dbraw/zinc/34/74/24/573347424.db2.gz XEABWKZUTFMHIB-QWRGUYRKSA-N 2 2 197.326 0.232 10 0 ACAELP C[C@@H]1[NH2+]CC[C@@H]1C[NH+]1CCN(C)CC1 86272463 573347563 /nfs/dbraw/zinc/34/75/63/573347563.db2.gz XEABWKZUTFMHIB-WDEREUQCSA-N 2 2 197.326 0.232 10 0 ACAELP C[C@H]1[NH2+]CC[C@@H]1C[NH+]1CCOCC1 86272452 573347571 /nfs/dbraw/zinc/34/75/71/573347571.db2.gz PROOPXKDEHPWHW-NXEZZACHSA-N 2 2 184.283 0.317 10 0 ACAELP CC1CC[NH+]([C@H](CO)[C@H](C)[NH3+])CC1 82986966 573347768 /nfs/dbraw/zinc/34/77/68/573347768.db2.gz UUWZWUQLHBOSJU-VHSXEESVSA-N 2 2 186.299 0.426 10 0 ACAELP CCCC[N@H+](C)[C@@H](CO)[C@@H](C)[NH3+] 82987021 573347997 /nfs/dbraw/zinc/34/79/97/573347997.db2.gz ZDYHIVDRLXCCBY-BDAKNGLRSA-N 2 2 174.288 0.426 10 0 ACAELP CCCC[N@@H+](C)[C@@H](CO)[C@@H](C)[NH3+] 82987021 573348002 /nfs/dbraw/zinc/34/80/02/573348002.db2.gz ZDYHIVDRLXCCBY-BDAKNGLRSA-N 2 2 174.288 0.426 10 0 ACAELP C[C@H]1[NH2+]CC[C@H]1C[NH+]1CCN(C)CC1 86272460 573348163 /nfs/dbraw/zinc/34/81/63/573348163.db2.gz XEABWKZUTFMHIB-MNOVXSKESA-N 2 2 197.326 0.232 10 0 ACAELP CC[NH2+][C@@H](CCO)C[N@H+](C)C(C)C 82989118 573348265 /nfs/dbraw/zinc/34/82/65/573348265.db2.gz HEMKABICBNNFLT-JTQLQIEISA-N 2 2 188.315 0.687 10 0 ACAELP CC[NH2+][C@@H](CCO)C[N@@H+](C)C(C)C 82989118 573348273 /nfs/dbraw/zinc/34/82/73/573348273.db2.gz HEMKABICBNNFLT-JTQLQIEISA-N 2 2 188.315 0.687 10 0 ACAELP C[C@H]([NH3+])[C@@H](CO)[NH+]1CCCCC1 82986994 573348320 /nfs/dbraw/zinc/34/83/20/573348320.db2.gz KUGZIUNAWNHGQK-DTWKUNHWSA-N 2 2 172.272 0.180 10 0 ACAELP C[C@@H]([NH3+])[C@H](CO)[NH+]1CCCCC1 82986997 573348388 /nfs/dbraw/zinc/34/83/88/573348388.db2.gz KUGZIUNAWNHGQK-BDAKNGLRSA-N 2 2 172.272 0.180 10 0 ACAELP [NH3+][C@H]1CC[N@H+](C/C=C\C2CC2)C1 393627018 573348412 /nfs/dbraw/zinc/34/84/12/573348412.db2.gz XZBCIFXJKRFWRS-SYBPUXJVSA-N 2 2 166.268 0.986 10 0 ACAELP [NH3+][C@H]1CC[N@@H+](C/C=C\C2CC2)C1 393627018 573348418 /nfs/dbraw/zinc/34/84/18/573348418.db2.gz XZBCIFXJKRFWRS-SYBPUXJVSA-N 2 2 166.268 0.986 10 0 ACAELP [NH3+][C@@H]1CC[N@H+](C/C=C\C2CC2)C1 393627017 573348435 /nfs/dbraw/zinc/34/84/35/573348435.db2.gz XZBCIFXJKRFWRS-JWXWKVPASA-N 2 2 166.268 0.986 10 0 ACAELP [NH3+][C@@H]1CC[N@@H+](C/C=C\C2CC2)C1 393627017 573348440 /nfs/dbraw/zinc/34/84/40/573348440.db2.gz XZBCIFXJKRFWRS-JWXWKVPASA-N 2 2 166.268 0.986 10 0 ACAELP C[C@@H]1[NH2+]CC[C@@H]1C[NH+]1CCOCC1 86272453 573348512 /nfs/dbraw/zinc/34/85/12/573348512.db2.gz PROOPXKDEHPWHW-VHSXEESVSA-N 2 2 184.283 0.317 10 0 ACAELP C[C@@H]1C[C@H]1[NH2+]CCc1[nH+]ccn1C 126113947 573348585 /nfs/dbraw/zinc/34/85/85/573348585.db2.gz FIUWNZXQYUCCJM-RKDXNWHRSA-N 2 2 179.267 0.961 10 0 ACAELP CCC[C@@H]([NH3+])c1nc(C[NH3+])no1 308367433 573357296 /nfs/dbraw/zinc/35/72/96/573357296.db2.gz IRMPVOLBUXKERE-RXMQYKEDSA-N 2 2 170.216 0.328 10 0 ACAELP [NH3+][C@H](C[NH2+]C1CC1)c1ccncc1 258296734 573357586 /nfs/dbraw/zinc/35/75/86/573357586.db2.gz OCFHOTXQXBIASO-SNVBAGLBSA-N 2 2 177.251 0.833 10 0 ACAELP CN(Cc1[nH]cc[nH+]1)CC(C)(C)C[NH3+] 308561093 573357801 /nfs/dbraw/zinc/35/78/01/573357801.db2.gz FIXYRIOLZCEOCN-UHFFFAOYSA-N 2 2 196.298 0.826 10 0 ACAELP C[C@@H]1C[NH2+][C@@H]([C@@H]2CCC[NH2+]2)O1 258301345 573357847 /nfs/dbraw/zinc/35/78/47/573357847.db2.gz CMYCQBDFLIIXAG-GJMOJQLCSA-N 2 2 156.229 0.073 10 0 ACAELP [NH3+]C[C@@]1(c2ccccc2)CC[NH2+]1 258300889 573357900 /nfs/dbraw/zinc/35/79/00/573357900.db2.gz SMCNRUMDDNELQX-SNVBAGLBSA-N 2 2 162.236 0.834 10 0 ACAELP C[NH2+]CC[N@H+](C)[C@@H](C)Cn1cccn1 308861607 573361893 /nfs/dbraw/zinc/36/18/93/573361893.db2.gz BSJYSDWZBXEVSK-JTQLQIEISA-N 2 2 196.298 0.423 10 0 ACAELP C[NH2+]CC[N@@H+](C)[C@@H](C)Cn1cccn1 308861607 573361898 /nfs/dbraw/zinc/36/18/98/573361898.db2.gz BSJYSDWZBXEVSK-JTQLQIEISA-N 2 2 196.298 0.423 10 0 ACAELP C[N@@H+]1CC[C@H]([C@H]([NH3+])C[NH2+]C2CC2)C1 258008629 573365984 /nfs/dbraw/zinc/36/59/84/573365984.db2.gz FFHDERMLBRXDAU-WCBMZHEXSA-N 3 2 183.299 0.017 10 0 ACAELP C[N@H+]1CC[C@H]([C@H]([NH3+])C[NH2+]C2CC2)C1 258008629 573365988 /nfs/dbraw/zinc/36/59/88/573365988.db2.gz FFHDERMLBRXDAU-WCBMZHEXSA-N 3 2 183.299 0.017 10 0 ACAELP C[C@]1([C@H]2CCC[NH2+]2)[NH2+]CCO1 258317603 573366309 /nfs/dbraw/zinc/36/63/09/573366309.db2.gz DCEJMWAYYOMYGN-SFYZADRCSA-N 2 2 156.229 0.074 10 0 ACAELP C[N@@H+]1CC[C@H]([C@@H]([NH3+])C[NH2+]C2CC2)C1 258008635 573366529 /nfs/dbraw/zinc/36/65/29/573366529.db2.gz FFHDERMLBRXDAU-WPRPVWTQSA-N 3 2 183.299 0.017 10 0 ACAELP C[N@H+]1CC[C@H]([C@@H]([NH3+])C[NH2+]C2CC2)C1 258008635 573366533 /nfs/dbraw/zinc/36/65/33/573366533.db2.gz FFHDERMLBRXDAU-WPRPVWTQSA-N 3 2 183.299 0.017 10 0 ACAELP [NH3+][C@@H]1CCn2cc(CCCO)[nH+]c2C1 258327116 573370353 /nfs/dbraw/zinc/37/03/53/573370353.db2.gz KLYUNJKHOKVVHR-MRVPVSSYSA-N 2 2 195.266 0.082 10 0 ACAELP [NH3+]C[C@H]1C2CC(C2)C[N@@H+]1C1CC1 258637587 573370661 /nfs/dbraw/zinc/37/06/61/573370661.db2.gz YKDCCIZHVVLIDF-KTOWXAHTSA-N 2 2 166.268 0.818 10 0 ACAELP [NH3+]C[C@H]1C2CC(C2)C[N@H+]1C1CC1 258637587 573370669 /nfs/dbraw/zinc/37/06/69/573370669.db2.gz YKDCCIZHVVLIDF-KTOWXAHTSA-N 2 2 166.268 0.818 10 0 ACAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@@H](C)[NH3+] 308565358 573378761 /nfs/dbraw/zinc/37/87/61/573378761.db2.gz ZZMBESNOPXFZID-OPRDCNLKSA-N 3 2 196.298 0.597 10 0 ACAELP C[N@@H+]1CC[C@@](C)(F)[C@@H]([NH3+])C1 258641339 573378849 /nfs/dbraw/zinc/37/88/49/573378849.db2.gz YVCAEKDGVSJJHH-NKWVEPMBSA-N 2 2 146.209 0.377 10 0 ACAELP C[N@H+]1CC[C@@](C)(F)[C@@H]([NH3+])C1 258641339 573378853 /nfs/dbraw/zinc/37/88/53/573378853.db2.gz YVCAEKDGVSJJHH-NKWVEPMBSA-N 2 2 146.209 0.377 10 0 ACAELP Cc1ccoc1C[N@H+](C)C[C@H](O)C[NH3+] 308565612 573379154 /nfs/dbraw/zinc/37/91/54/573379154.db2.gz HMLTWAYZEQHPEM-SECBINFHSA-N 2 2 198.266 0.339 10 0 ACAELP Cc1ccoc1C[N@@H+](C)C[C@H](O)C[NH3+] 308565612 573379157 /nfs/dbraw/zinc/37/91/57/573379157.db2.gz HMLTWAYZEQHPEM-SECBINFHSA-N 2 2 198.266 0.339 10 0 ACAELP F[C@H]1CC[NH2+][C@@]12CC[NH2+]C2 259100138 573379193 /nfs/dbraw/zinc/37/91/93/573379193.db2.gz DPIIAQUPELQEAR-NKWVEPMBSA-N 2 2 144.193 0.050 10 0 ACAELP [NH3+]C[C@H](c1[nH]cc[nH+]1)C1CCOCC1 259092536 573379199 /nfs/dbraw/zinc/37/91/99/573379199.db2.gz JGBZMVOGQYEUJU-VIFPVBQESA-N 2 2 195.266 0.879 10 0 ACAELP [NH3+]C[C@@H](c1[nH]cc[nH+]1)C1CCOCC1 259092534 573379495 /nfs/dbraw/zinc/37/94/95/573379495.db2.gz JGBZMVOGQYEUJU-SECBINFHSA-N 2 2 195.266 0.879 10 0 ACAELP [NH3+]C[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 258017294 573379670 /nfs/dbraw/zinc/37/96/70/573379670.db2.gz HSJDUJHFLPJNBR-SNVBAGLBSA-N 3 2 197.326 0.409 10 0 ACAELP [NH3+]C[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 258017294 573379677 /nfs/dbraw/zinc/37/96/77/573379677.db2.gz HSJDUJHFLPJNBR-SNVBAGLBSA-N 3 2 197.326 0.409 10 0 ACAELP [NH3+][C@@H]1CCCn2c[nH+]cc21 107156240 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199.342 0.798 10 0 ACAELP [NH3+][C@H](CO)C[NH2+]Cc1ccc(F)cc1 258815466 573598296 /nfs/dbraw/zinc/59/82/96/573598296.db2.gz CRHKDQGQXWRRGI-JTQLQIEISA-N 2 2 198.241 0.235 10 0 ACAELP Cn1cc[nH+]c1C[C@H]([NH3+])[C@@H]1CCOC1 86752610 573598398 /nfs/dbraw/zinc/59/83/98/573598398.db2.gz PIJSEFLTAHSQKW-BDAKNGLRSA-N 2 2 195.266 0.326 10 0 ACAELP Cc1[nH+]c([C@H]2CCOC2)[nH]c1C[NH3+] 259523526 573598626 /nfs/dbraw/zinc/59/86/26/573598626.db2.gz ANYIVGTUXFZDGT-ZETCQYMHSA-N 2 2 181.239 0.681 10 0 ACAELP Cn1cc[nH+]c1CC1([NH3+])CCOCC1 86750694 573601898 /nfs/dbraw/zinc/60/18/98/573601898.db2.gz LASPJAKMNUQHTO-UHFFFAOYSA-N 2 2 195.266 0.471 10 0 ACAELP [NH3+][C@@H](c1ccc[nH]1)[C@@H]1CCC[NH2+]1 259525455 573602128 /nfs/dbraw/zinc/60/21/28/573602128.db2.gz WASANSKZHIEXSL-IUCAKERBSA-N 2 2 165.240 0.767 10 0 ACAELP C[NH2+][C@@H](Cc1[nH+]ccn1C)[C@@H](C)OC 86753128 573602163 /nfs/dbraw/zinc/60/21/63/573602163.db2.gz YLVAGBWWYMOROQ-BDAKNGLRSA-N 2 2 197.282 0.586 10 0 ACAELP 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XXGQDRNHYRMGNM-UHFFFAOYSA-N 2 2 191.234 0.876 10 0 ACAELP [NH3+][C@H](c1ccncc1)[C@@H]1CCC[NH2+]1 259547857 573669236 /nfs/dbraw/zinc/66/92/36/573669236.db2.gz XJJWYRIVQKSKQB-VHSXEESVSA-N 2 2 177.251 0.833 10 0 ACAELP C[N@@H+]1CC[C@H](C[NH2+]CC(C)(C)[NH3+])C1 258878827 573679311 /nfs/dbraw/zinc/67/93/11/573679311.db2.gz QANIKBGTPDZIJQ-SECBINFHSA-N 3 2 185.315 0.265 10 0 ACAELP C[N@H+]1CC[C@H](C[NH2+]CC(C)(C)[NH3+])C1 258878827 573679318 /nfs/dbraw/zinc/67/93/18/573679318.db2.gz QANIKBGTPDZIJQ-SECBINFHSA-N 3 2 185.315 0.265 10 0 ACAELP C[NH2+]C[NH2+]CCc1cc[nH]c1 258876077 573679654 /nfs/dbraw/zinc/67/96/54/573679654.db2.gz LKMLEBRRAPGWEO-UHFFFAOYSA-N 2 2 153.229 0.324 10 0 ACAELP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC1([NH3+])CC1 83837040 573679735 /nfs/dbraw/zinc/67/97/35/573679735.db2.gz WOFFBAKSULRMIR-VHSXEESVSA-N 2 2 198.310 0.977 10 0 ACAELP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC1([NH3+])CC1 83837040 573679739 /nfs/dbraw/zinc/67/97/39/573679739.db2.gz WOFFBAKSULRMIR-VHSXEESVSA-N 2 2 198.310 0.977 10 0 ACAELP COCCCC[NH2+]C[C@H](C)[NH+](C)C 130838900 573682911 /nfs/dbraw/zinc/68/29/11/573682911.db2.gz GYBLUFALCPMMMV-JTQLQIEISA-N 2 2 188.315 0.953 10 0 ACAELP C1C[NH2+][C@H]2C3CC[NH+](CC3)[C@H]2C1 107981211 573682212 /nfs/dbraw/zinc/68/22/12/573682212.db2.gz DBXAXYZKKBJPFI-UWVGGRQHSA-N 2 2 166.268 0.833 10 0 ACAELP COCCCC[NH2+]C[C@@H](C)[NH+](C)C 130839114 573682622 /nfs/dbraw/zinc/68/26/22/573682622.db2.gz GYBLUFALCPMMMV-SNVBAGLBSA-N 2 2 188.315 0.953 10 0 ACAELP C[C@H]([NH3+])C[N@H+](C)CC12CC(CO1)C2 716099240 573686326 /nfs/dbraw/zinc/68/63/26/573686326.db2.gz REWNONCMIQNYHH-IDKOKCKLSA-N 2 2 184.283 0.444 10 0 ACAELP C[C@H]([NH3+])C[N@@H+](C)CC12CC(CO1)C2 716099240 573686331 /nfs/dbraw/zinc/68/63/31/573686331.db2.gz REWNONCMIQNYHH-IDKOKCKLSA-N 2 2 184.283 0.444 10 0 ACAELP C[NH2+][C@H](c1ccc[nH]1)C1([NH3+])CC1 259169926 573686346 /nfs/dbraw/zinc/68/63/46/573686346.db2.gz JFPDTPGUQNAAJR-MRVPVSSYSA-N 2 2 165.240 0.767 10 0 ACAELP CNc1cc(N(C)CCC[NH3+])nc[nH+]1 258879752 573686414 /nfs/dbraw/zinc/68/64/14/573686414.db2.gz DQTCEGHFHIXUDR-UHFFFAOYSA-N 2 2 195.270 0.303 10 0 ACAELP CNc1cc(N(C)CCC[NH3+])[nH+]cn1 258879752 573686421 /nfs/dbraw/zinc/68/64/21/573686421.db2.gz DQTCEGHFHIXUDR-UHFFFAOYSA-N 2 2 195.270 0.303 10 0 ACAELP CC[N@H+](C)[C@@]1(C[NH3+])CO[C@@H](C)C1 401412833 573686689 /nfs/dbraw/zinc/68/66/89/573686689.db2.gz SQIJGRPVHOSBQD-IUCAKERBSA-N 2 2 172.272 0.444 10 0 ACAELP CC[N@@H+](C)[C@@]1(C[NH3+])CO[C@@H](C)C1 401412833 573686693 /nfs/dbraw/zinc/68/66/93/573686693.db2.gz SQIJGRPVHOSBQD-IUCAKERBSA-N 2 2 172.272 0.444 10 0 ACAELP C[N@H+](CCCF)C[C@H]1C[NH2+]CCO1 126848044 573697032 /nfs/dbraw/zinc/69/70/32/573697032.db2.gz OVKQGANFXQUWTJ-SECBINFHSA-N 2 2 190.262 0.266 10 0 ACAELP CC(C)[NH2+]C[C@H]([NH3+])[C@@H]1CCC[N@H+](C)C1 259168553 573697099 /nfs/dbraw/zinc/69/70/99/573697099.db2.gz DVIZTONFVCTGAC-MNOVXSKESA-N 3 2 199.342 0.654 10 0 ACAELP CC(C)[NH2+]C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C)C1 259168553 573697102 /nfs/dbraw/zinc/69/71/02/573697102.db2.gz DVIZTONFVCTGAC-MNOVXSKESA-N 3 2 199.342 0.654 10 0 ACAELP CC(C)[NH2+]C[C@H]([NH3+])[C@H]1CCC[N@H+](C)C1 259168558 573697159 /nfs/dbraw/zinc/69/71/59/573697159.db2.gz DVIZTONFVCTGAC-QWRGUYRKSA-N 3 2 199.342 0.654 10 0 ACAELP CC(C)[NH2+]C[C@H]([NH3+])[C@H]1CCC[N@@H+](C)C1 259168558 573697165 /nfs/dbraw/zinc/69/71/65/573697165.db2.gz DVIZTONFVCTGAC-QWRGUYRKSA-N 3 2 199.342 0.654 10 0 ACAELP C[N@H+](CCCF)C[C@@H]1C[NH2+]CCO1 126847776 573697384 /nfs/dbraw/zinc/69/73/84/573697384.db2.gz OVKQGANFXQUWTJ-VIFPVBQESA-N 2 2 190.262 0.266 10 0 ACAELP [NH3+]Cc1cnc([C@H]2CCCC[NH2+]2)o1 258087759 573697910 /nfs/dbraw/zinc/69/79/10/573697910.db2.gz MTFMOXPZDHXYKF-MRVPVSSYSA-N 2 2 181.239 0.948 10 0 ACAELP C[NH2+][C@H](C[C@H]1COCC[NH2+]1)C1CCC1 259166117 573698088 /nfs/dbraw/zinc/69/80/88/573698088.db2.gz DAASCNHEYZOZEA-WDEREUQCSA-N 2 2 198.310 0.753 10 0 ACAELP C[NH2+][C@@H](C[C@H]1COCC[NH2+]1)C1CCC1 259166115 573698306 /nfs/dbraw/zinc/69/83/06/573698306.db2.gz DAASCNHEYZOZEA-QWRGUYRKSA-N 2 2 198.310 0.753 10 0 ACAELP C1CC(C[NH2+]C[C@@H]2C[NH2+]CCO2)C1 258885568 573698370 /nfs/dbraw/zinc/69/83/70/573698370.db2.gz JMEYQBWOOFAOTE-JTQLQIEISA-N 2 2 184.283 0.365 10 0 ACAELP C[N@@H+]1CCN[C@@H]([C@H]([NH3+])C2CCC2)C1 259171749 573698586 /nfs/dbraw/zinc/69/85/86/573698586.db2.gz CIRBYGOQPKTOBX-NXEZZACHSA-N 2 2 183.299 0.017 10 0 ACAELP C[N@H+]1CCN[C@@H]([C@H]([NH3+])C2CCC2)C1 259171749 573698591 /nfs/dbraw/zinc/69/85/91/573698591.db2.gz CIRBYGOQPKTOBX-NXEZZACHSA-N 2 2 183.299 0.017 10 0 ACAELP CN1CC[NH2+][C@@H]([C@H]([NH3+])C2CCC2)C1 259171749 573698598 /nfs/dbraw/zinc/69/85/98/573698598.db2.gz CIRBYGOQPKTOBX-NXEZZACHSA-N 2 2 183.299 0.017 10 0 ACAELP [NH3+][C@]1(C[NH2+]Cc2ccoc2)CCOC1 130755446 573698695 /nfs/dbraw/zinc/69/86/95/573698695.db2.gz NJIFWIOVEDOXEA-JTQLQIEISA-N 2 2 196.250 0.487 10 0 ACAELP CC(C)(C)[C@@H]([NH3+])[C@H]1COCC[NH2+]1 259558112 573698788 /nfs/dbraw/zinc/69/87/88/573698788.db2.gz UXUJRPWMFDJIIX-SFYZADRCSA-N 2 2 172.272 0.348 10 0 ACAELP 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ACAELP C[NH2+]C[C@@H]1C[N@H+]([C@H](C)C2CC2)CCO1 125120112 573794973 /nfs/dbraw/zinc/79/49/73/573794973.db2.gz CNSDJARXANOQQU-MWLCHTKSSA-N 2 2 198.310 0.705 10 0 ACAELP Cc1c[nH+]ccc1CC[NH2+]C1COC1 308729641 573795110 /nfs/dbraw/zinc/79/51/10/573795110.db2.gz ISTAATVZZRZTLT-UHFFFAOYSA-N 2 2 192.262 0.921 10 0 ACAELP Cc1cccc(CO)c1[C@@H]([NH3+])C[NH3+] 238520416 573795326 /nfs/dbraw/zinc/79/53/26/573795326.db2.gz NZJDZNUXMYPDSS-VIFPVBQESA-N 2 2 180.251 0.446 10 0 ACAELP [NH3+][C@H](C1CCCC1)[C@H]1COCC[NH2+]1 259188905 573796258 /nfs/dbraw/zinc/79/62/58/573796258.db2.gz CZDLSCTVSTXARZ-NXEZZACHSA-N 2 2 184.283 0.492 10 0 ACAELP C[N@@H+]1CCC[C@H]1C[NH2+]C/C=C/CO 717557878 573804437 /nfs/dbraw/zinc/80/44/37/573804437.db2.gz WYCLJLGGRFUHMG-PBKGFPTLSA-N 2 2 184.283 0.219 10 0 ACAELP C[N@H+]1CCC[C@H]1C[NH2+]C/C=C/CO 717557878 573804443 /nfs/dbraw/zinc/80/44/43/573804443.db2.gz WYCLJLGGRFUHMG-PBKGFPTLSA-N 2 2 184.283 0.219 10 0 ACAELP CC[NH2+]CC[N@H+](CCOC)C(C)C 131260466 573804309 /nfs/dbraw/zinc/80/43/09/573804309.db2.gz XPOIMHQMKFZAKT-UHFFFAOYSA-N 2 2 188.315 0.953 10 0 ACAELP CC[NH2+]CC[N@@H+](CCOC)C(C)C 131260466 573804314 /nfs/dbraw/zinc/80/43/14/573804314.db2.gz XPOIMHQMKFZAKT-UHFFFAOYSA-N 2 2 188.315 0.953 10 0 ACAELP [NH3+][C@@H]1CCC[N@H+](CCCCO)C1 43444780 573805280 /nfs/dbraw/zinc/80/52/80/573805280.db2.gz KUCBEDZPKWKBJS-SECBINFHSA-N 2 2 172.272 0.182 10 0 ACAELP [NH3+][C@@H]1CCC[N@@H+](CCCCO)C1 43444780 573805287 /nfs/dbraw/zinc/80/52/87/573805287.db2.gz KUCBEDZPKWKBJS-SECBINFHSA-N 2 2 172.272 0.182 10 0 ACAELP Cn1ccn2c(C[NH3+])c[nH+]c12 238515723 573805337 /nfs/dbraw/zinc/80/53/37/573805337.db2.gz OSSAAVKIYGUDAZ-UHFFFAOYSA-N 2 2 150.185 0.132 10 0 ACAELP C[C@H](Cn1cc[nH+]c1)[NH2+]CCCO 43444246 573804576 /nfs/dbraw/zinc/80/45/76/573804576.db2.gz BAGCOMGJKQWWIG-SECBINFHSA-N 2 2 183.255 0.244 10 0 ACAELP C[NH2+]C[N@H+](C)CC1CC[NH+](C)CC1 258958316 573804763 /nfs/dbraw/zinc/80/47/63/573804763.db2.gz VOJIBDFPYDBBRK-UHFFFAOYSA-N 3 2 185.315 0.437 10 0 ACAELP C[NH2+]C[N@@H+](C)CC1CC[NH+](C)CC1 258958316 573804768 /nfs/dbraw/zinc/80/47/68/573804768.db2.gz VOJIBDFPYDBBRK-UHFFFAOYSA-N 3 2 185.315 0.437 10 0 ACAELP C[NH+](C)CC[C@H]1[NH2+]C(C)(C)CO1 258428571 573804829 /nfs/dbraw/zinc/80/48/29/573804829.db2.gz JJLRIOSIVGQODR-QMMMGPOBSA-N 2 2 172.272 0.663 10 0 ACAELP [NH3+][C@H]1CCC[N@H+](CCCCO)C1 43444779 573804876 /nfs/dbraw/zinc/80/48/76/573804876.db2.gz KUCBEDZPKWKBJS-VIFPVBQESA-N 2 2 172.272 0.182 10 0 ACAELP [NH3+][C@H]1CCC[N@@H+](CCCCO)C1 43444779 573804886 /nfs/dbraw/zinc/80/48/86/573804886.db2.gz KUCBEDZPKWKBJS-VIFPVBQESA-N 2 2 172.272 0.182 10 0 ACAELP C[N@@H+]1CC[C@H]([NH2+]CCCCO)C1 43445612 573807080 /nfs/dbraw/zinc/80/70/80/573807080.db2.gz BJJKNUJYWYPDRB-VIFPVBQESA-N 2 2 172.272 0.053 10 0 ACAELP C[N@H+]1CC[C@H]([NH2+]CCCCO)C1 43445612 573807082 /nfs/dbraw/zinc/80/70/82/573807082.db2.gz BJJKNUJYWYPDRB-VIFPVBQESA-N 2 2 172.272 0.053 10 0 ACAELP CC[NH2+][C@@H]1CC[N@@H+](C2CC(OC)C2)C1 233604342 573807135 /nfs/dbraw/zinc/80/71/35/573807135.db2.gz KJCLLVSKQGXFHN-KPPDAEKUSA-N 2 2 198.310 0.848 10 0 ACAELP CC[NH2+][C@@H]1CC[N@H+](C2CC(OC)C2)C1 233604342 573807140 /nfs/dbraw/zinc/80/71/40/573807140.db2.gz KJCLLVSKQGXFHN-KPPDAEKUSA-N 2 2 198.310 0.848 10 0 ACAELP [NH3+][C@@H]1CCCn2c1c[nH+]c2CCCO 258136542 573807467 /nfs/dbraw/zinc/80/74/67/573807467.db2.gz HFKQYIXSWTZIGM-MRVPVSSYSA-N 2 2 195.266 0.602 10 0 ACAELP Cc1ccc([C@@H]([NH3+])N2CC[NH2+]CC2)o1 259196088 573808384 /nfs/dbraw/zinc/80/83/84/573808384.db2.gz DFTJWIYEDYNAPL-JTQLQIEISA-N 2 2 195.266 0.451 10 0 ACAELP C[NH+]1CCC(C(C)(C)C[NH2+]C[NH3+])CC1 258959937 573807590 /nfs/dbraw/zinc/80/75/90/573807590.db2.gz VQSYLJXHQXMMNW-UHFFFAOYSA-N 3 2 199.342 0.860 10 0 ACAELP C[NH+](C)C(C)(C)C[NH2+]CCCCO 43445722 573807636 /nfs/dbraw/zinc/80/76/36/573807636.db2.gz AEKXNTTZRSOWBO-UHFFFAOYSA-N 2 2 188.315 0.689 10 0 ACAELP [NH3+][C@H]1CCCn2c1c[nH+]c2CCCO 258136543 573808194 /nfs/dbraw/zinc/80/81/94/573808194.db2.gz HFKQYIXSWTZIGM-QMMMGPOBSA-N 2 2 195.266 0.602 10 0 ACAELP Cc1nc([C@H]([NH3+])Cc2c[nH+]c[nH]2)co1 238529930 573808249 /nfs/dbraw/zinc/80/82/49/573808249.db2.gz ZLRVBYFANBKWOV-MRVPVSSYSA-N 2 2 192.222 0.949 10 0 ACAELP Cc1nc([C@H]([NH3+])Cc2c[nH]c[nH+]2)co1 238529930 573808255 /nfs/dbraw/zinc/80/82/55/573808255.db2.gz ZLRVBYFANBKWOV-MRVPVSSYSA-N 2 2 192.222 0.949 10 0 ACAELP C[C@H](CC[NH3+])[NH+]1CCC([NH+](C)C)CC1 41042632 573808278 /nfs/dbraw/zinc/80/82/78/573808278.db2.gz XIAVLOKPCUZDPB-SNVBAGLBSA-N 3 2 199.342 0.750 10 0 ACAELP [NH3+]C[C@H]([NH3+])CNc1cccs1 259196498 573810446 /nfs/dbraw/zinc/81/04/46/573810446.db2.gz WRTGHVXSNKZJOJ-LURJTMIESA-N 2 2 171.269 0.446 10 0 ACAELP COCCc1cn2c([nH+]1)C[C@H]([NH3+])CC2 258137559 573810470 /nfs/dbraw/zinc/81/04/70/573810470.db2.gz DAQFLMXUCDXFQE-MRVPVSSYSA-N 2 2 195.266 0.346 10 0 ACAELP C[C@H]([NH3+])[C@@H](CO)[N@H+](C)C1CCC1 127348497 573814029 /nfs/dbraw/zinc/81/40/29/573814029.db2.gz OAICQFZXMFVLLO-IONNQARKSA-N 2 2 172.272 0.179 10 0 ACAELP C[C@H]([NH3+])[C@@H](CO)[N@@H+](C)C1CCC1 127348497 573814034 /nfs/dbraw/zinc/81/40/34/573814034.db2.gz OAICQFZXMFVLLO-IONNQARKSA-N 2 2 172.272 0.179 10 0 ACAELP C[NH2+][C@H](CCO)C[N@H+](C)C1CCC1 127359809 573814050 /nfs/dbraw/zinc/81/40/50/573814050.db2.gz XXRQDRYLEZZOOS-SECBINFHSA-N 2 2 186.299 0.441 10 0 ACAELP C[NH2+][C@H](CCO)C[N@@H+](C)C1CCC1 127359809 573814058 /nfs/dbraw/zinc/81/40/58/573814058.db2.gz XXRQDRYLEZZOOS-SECBINFHSA-N 2 2 186.299 0.441 10 0 ACAELP [NH3+][C@@H](C[NH2+]C1CC1)c1cccnc1 258144765 573814209 /nfs/dbraw/zinc/81/42/09/573814209.db2.gz MPTNPMUWCSUWLK-JTQLQIEISA-N 2 2 177.251 0.833 10 0 ACAELP C[NH2+]C[C@@H]([NH3+])c1ccc(O)cc1 258433135 573814386 /nfs/dbraw/zinc/81/43/86/573814386.db2.gz WPQUEEPSKDSCLU-SECBINFHSA-N 2 2 166.224 0.611 10 0 ACAELP Nc1ccc2[nH+]cc(C[NH3+])n2c1 258516115 573814395 /nfs/dbraw/zinc/81/43/95/573814395.db2.gz LFXVKQNNPBAZDK-UHFFFAOYSA-N 2 2 162.196 0.375 10 0 ACAELP CC[NH2+]C[C@@]1(F)CCC[NH2+]C1 258515130 573823548 /nfs/dbraw/zinc/82/35/48/573823548.db2.gz LTRBKRBPMQVANJ-QMMMGPOBSA-N 2 2 160.236 0.688 10 0 ACAELP CC[N@H+](CC[NH3+])CCc1ccccn1 41056046 573826110 /nfs/dbraw/zinc/82/61/10/573826110.db2.gz LYJLCMOGTJONOD-UHFFFAOYSA-N 2 2 193.294 0.905 10 0 ACAELP CC[N@@H+](CC[NH3+])CCc1ccccn1 41056046 573826117 /nfs/dbraw/zinc/82/61/17/573826117.db2.gz LYJLCMOGTJONOD-UHFFFAOYSA-N 2 2 193.294 0.905 10 0 ACAELP Cn1c[nH+]c(N)c1-n1cc[nH+]c1 238526439 573826552 /nfs/dbraw/zinc/82/65/52/573826552.db2.gz VEHLVRXEZAWYOG-UHFFFAOYSA-N 2 2 163.184 0.188 10 0 ACAELP [NH3+][C@H](c1cc[nH]c1)[C@H]1C[NH2+]CCO1 259573350 573830230 /nfs/dbraw/zinc/83/02/30/573830230.db2.gz VTETWINPPHAHKZ-RKDXNWHRSA-N 2 2 181.239 0.003 10 0 ACAELP [NH3+][C@@H](c1cc[nH]c1)[C@@H]1C[NH2+]CCO1 259573347 573830660 /nfs/dbraw/zinc/83/06/60/573830660.db2.gz VTETWINPPHAHKZ-IUCAKERBSA-N 2 2 181.239 0.003 10 0 ACAELP [NH3+][C@@H](C[NH2+]C1CC1)c1cc[nH]c1 259206992 573831733 /nfs/dbraw/zinc/83/17/33/573831733.db2.gz GGJJBAQRCLKCJL-VIFPVBQESA-N 2 2 165.240 0.767 10 0 ACAELP [NH3+][C@@H](c1cc[nH]c1)[C@H]1C[NH2+]CCO1 259573341 573831764 /nfs/dbraw/zinc/83/17/64/573831764.db2.gz VTETWINPPHAHKZ-BDAKNGLRSA-N 2 2 181.239 0.003 10 0 ACAELP C[NH2+][C@H](C(C)=O)[C@@H]1CC[N@H+](C)C1 259207266 573832408 /nfs/dbraw/zinc/83/24/08/573832408.db2.gz FPSOVLBUJOZCOD-RKDXNWHRSA-N 2 2 170.256 0.115 10 0 ACAELP C[NH2+][C@H](C(C)=O)[C@@H]1CC[N@@H+](C)C1 259207266 573832412 /nfs/dbraw/zinc/83/24/12/573832412.db2.gz FPSOVLBUJOZCOD-RKDXNWHRSA-N 2 2 170.256 0.115 10 0 ACAELP CC[C@](C)(C[NH3+])NCc1cn(C)c[nH+]1 308449506 573835344 /nfs/dbraw/zinc/83/53/44/573835344.db2.gz BTTUIXHFOUESFT-SNVBAGLBSA-N 2 2 196.298 0.637 10 0 ACAELP CC[C@](C)(C[NH3+])[NH2+]Cc1cn(C)cn1 308449506 573835350 /nfs/dbraw/zinc/83/53/50/573835350.db2.gz BTTUIXHFOUESFT-SNVBAGLBSA-N 2 2 196.298 0.637 10 0 ACAELP CC[C@H]1[N@H+](C)CCC[C@@]1([NH3+])CC(N)=O 107239533 573835410 /nfs/dbraw/zinc/83/54/10/573835410.db2.gz KELZLQCNQHPDTA-PSASIEDQSA-N 2 2 199.298 0.064 10 0 ACAELP 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