smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCN1CCCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000035663341 182184093 /nfs/dbraw/zinc/18/40/93/182184093.db2.gz PLBCTJPPBRNKOY-UWVGGRQHSA-N 1 3 227.308 -1.079 20 0 BAADHO O=C(NCCN1CCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000035663342 182185676 /nfs/dbraw/zinc/18/56/76/182185676.db2.gz PLBCTJPPBRNKOY-VHSXEESVSA-N 1 3 227.308 -1.079 20 0 BAADHO O=C(NCCN1CCCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000035663343 182185759 /nfs/dbraw/zinc/18/57/59/182185759.db2.gz PLBCTJPPBRNKOY-ZJUUUORDSA-N 1 3 227.308 -1.079 20 0 BAADHO O=C(NCCN1CCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000035663344 182185100 /nfs/dbraw/zinc/18/51/00/182185100.db2.gz PLBCTJPPBRNKOY-NXEZZACHSA-N 1 3 227.308 -1.079 20 0 BAADHO O=C(CN1CC[NH2+]CC1)N1CCCNCC1 ZINC000037482536 398328318 /nfs/dbraw/zinc/32/83/18/398328318.db2.gz QCYQIBUPTXUATE-UHFFFAOYSA-N 1 3 226.324 -1.287 20 0 BAADHO NC(=O)CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000037891620 358097342 /nfs/dbraw/zinc/09/73/42/358097342.db2.gz SFTDSBIEVLFZIH-SECBINFHSA-N 1 3 215.297 -1.092 20 0 BAADHO NC(=O)CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000037891621 358097433 /nfs/dbraw/zinc/09/74/33/358097433.db2.gz SFTDSBIEVLFZIH-VIFPVBQESA-N 1 3 215.297 -1.092 20 0 BAADHO C[C@@H](CNC(=O)CN1CC[NH2+]CC1)N(C)C ZINC000038089276 398335969 /nfs/dbraw/zinc/33/59/69/398335969.db2.gz ZCJVDULNVIQYSO-JTQLQIEISA-N 1 3 228.340 -1.042 20 0 BAADHO C[C@H](CNC(=O)CN1CC[NH2+]CC1)N(C)C ZINC000038089277 398335952 /nfs/dbraw/zinc/33/59/52/398335952.db2.gz ZCJVDULNVIQYSO-SNVBAGLBSA-N 1 3 228.340 -1.042 20 0 BAADHO C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)N(C)C ZINC000038089313 343059233 /nfs/dbraw/zinc/05/92/33/343059233.db2.gz MRMUCDJFSWUUFR-VGMNWLOBSA-N 1 3 215.297 -1.225 20 0 BAADHO C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)N(C)C ZINC000038089314 323383377 /nfs/dbraw/zinc/38/33/77/323383377.db2.gz MRMUCDJFSWUUFR-XHNCKOQMSA-N 1 3 215.297 -1.225 20 0 BAADHO C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)N(C)C ZINC000038089315 343059104 /nfs/dbraw/zinc/05/91/04/343059104.db2.gz MRMUCDJFSWUUFR-HRDYMLBCSA-N 1 3 215.297 -1.225 20 0 BAADHO [NH3+]CCCNC(=O)CN1CCNCC1 ZINC000040832412 181380808 /nfs/dbraw/zinc/38/08/08/181380808.db2.gz KGLLBVAZHKZGHX-UHFFFAOYSA-N 1 3 200.286 -1.643 20 0 BAADHO [NH3+]CCCNS(=O)(=O)N1CCNCC1 ZINC000040861384 636945740 /nfs/dbraw/zinc/94/57/40/636945740.db2.gz VCJODLSDASZNOX-UHFFFAOYSA-N 1 3 222.314 -1.925 20 0 BAADHO [NH3+]CCNS(=O)(=O)N1CCNCC1 ZINC000041043500 181396445 /nfs/dbraw/zinc/39/64/45/181396445.db2.gz WLTULBBCZRIINT-UHFFFAOYSA-N 1 3 208.287 -2.315 20 0 BAADHO CN(C)CCN1C[C@H](C(=O)NCC[NH3+])CC1=O ZINC000041286943 386665884 /nfs/dbraw/zinc/66/58/84/386665884.db2.gz RVYFHMOFVCYUGC-SECBINFHSA-N 1 3 242.323 -1.529 20 0 BAADHO CN(C)CCN1C[C@@H](C(=O)NCC[NH3+])CC1=O ZINC000041286946 386666955 /nfs/dbraw/zinc/66/69/55/386666955.db2.gz RVYFHMOFVCYUGC-VIFPVBQESA-N 1 3 242.323 -1.529 20 0 BAADHO CCN(C)CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000054133289 397903745 /nfs/dbraw/zinc/90/37/45/397903745.db2.gz QMYJLGQEJOCAHQ-IUCAKERBSA-N 1 3 215.297 -1.223 20 0 BAADHO CCN(C)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000054133291 397903679 /nfs/dbraw/zinc/90/36/79/397903679.db2.gz QMYJLGQEJOCAHQ-DTWKUNHWSA-N 1 3 215.297 -1.223 20 0 BAADHO C[NH2+]CC(=O)NCCN(C)CCOC ZINC000061380611 173328744 /nfs/dbraw/zinc/32/87/44/173328744.db2.gz UXMVYFWSAQNVEP-UHFFFAOYSA-N 1 3 203.286 -1.100 20 0 BAADHO COCCN(C)CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000061380617 174277369 /nfs/dbraw/zinc/27/73/69/174277369.db2.gz BQMNPLSNIHZOIM-UWVGGRQHSA-N 1 3 245.323 -1.596 20 0 BAADHO COCCN(C)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000061380630 174277263 /nfs/dbraw/zinc/27/72/63/174277263.db2.gz BQMNPLSNIHZOIM-VHSXEESVSA-N 1 3 245.323 -1.596 20 0 BAADHO CN(CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CC1 ZINC000062010180 172741628 /nfs/dbraw/zinc/74/16/28/172741628.db2.gz FNDAYTPBZRNBJE-UWVGGRQHSA-N 1 3 227.308 -1.080 20 0 BAADHO CN(CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CC1 ZINC000062010181 386490668 /nfs/dbraw/zinc/49/06/68/386490668.db2.gz FNDAYTPBZRNBJE-VHSXEESVSA-N 1 3 227.308 -1.080 20 0 BAADHO C[NH2+]CCN(C)S(=O)(=O)N1CCNCC1 ZINC000069803356 642918025 /nfs/dbraw/zinc/91/80/25/642918025.db2.gz DHQSKJARCNFUPJ-UHFFFAOYSA-N 1 3 236.341 -1.712 20 0 BAADHO CNC(=O)CCN(C)CCN1CC[NH2+]CC1 ZINC000070800581 350060843 /nfs/dbraw/zinc/06/08/43/350060843.db2.gz PXBYXQRBRADVGO-UHFFFAOYSA-N 1 3 228.340 -1.041 20 0 BAADHO CC[C@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000083347955 385827330 /nfs/dbraw/zinc/82/73/30/385827330.db2.gz PHUHXRGBUUIESA-VIFPVBQESA-N 1 3 214.313 -1.255 20 0 BAADHO CC[C@@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000083347956 385827339 /nfs/dbraw/zinc/82/73/39/385827339.db2.gz PHUHXRGBUUIESA-SECBINFHSA-N 1 3 214.313 -1.255 20 0 BAADHO CC(C)(N)C(=O)NCCN1CC[NH2+]CC1 ZINC000083347957 188296913 /nfs/dbraw/zinc/29/69/13/188296913.db2.gz WTIYAGCEEMOUHU-UHFFFAOYSA-N 1 3 214.313 -1.255 20 0 BAADHO CC(C)[C@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000083356304 398278271 /nfs/dbraw/zinc/27/82/71/398278271.db2.gz AABOOQNIBQGMOJ-JTQLQIEISA-N 1 3 228.340 -1.009 20 0 BAADHO OC[C@@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000085248580 488149172 /nfs/dbraw/zinc/14/91/72/488149172.db2.gz QUDGMTDQDLUXPW-ZJUUUORDSA-N 1 3 218.297 -1.614 20 0 BAADHO OC[C@@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000085248583 488149375 /nfs/dbraw/zinc/14/93/75/488149375.db2.gz QUDGMTDQDLUXPW-UWVGGRQHSA-N 1 3 218.297 -1.614 20 0 BAADHO OC[C@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000085248585 488149608 /nfs/dbraw/zinc/14/96/08/488149608.db2.gz QUDGMTDQDLUXPW-NXEZZACHSA-N 1 3 218.297 -1.614 20 0 BAADHO OC[C@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000085248587 488149134 /nfs/dbraw/zinc/14/91/34/488149134.db2.gz QUDGMTDQDLUXPW-VHSXEESVSA-N 1 3 218.297 -1.614 20 0 BAADHO C[C@](O)(CO)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000085254432 488149317 /nfs/dbraw/zinc/14/93/17/488149317.db2.gz NGMFGPDVRQZMNN-WDEREUQCSA-N 1 3 232.324 -1.224 20 0 BAADHO C[C@@](O)(CO)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000085254434 488149279 /nfs/dbraw/zinc/14/92/79/488149279.db2.gz NGMFGPDVRQZMNN-QWRGUYRKSA-N 1 3 232.324 -1.224 20 0 BAADHO C[C@](O)(CO)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000085254436 488149628 /nfs/dbraw/zinc/14/96/28/488149628.db2.gz NGMFGPDVRQZMNN-GHMZBOCLSA-N 1 3 232.324 -1.224 20 0 BAADHO C[C@@](O)(CO)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000085254438 488150246 /nfs/dbraw/zinc/15/02/46/488150246.db2.gz NGMFGPDVRQZMNN-MNOVXSKESA-N 1 3 232.324 -1.224 20 0 BAADHO NCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790385 643624487 /nfs/dbraw/zinc/62/44/87/643624487.db2.gz KIEIIYGNJWIQPQ-RKDXNWHRSA-N 1 3 213.281 -1.076 20 0 BAADHO NCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790385 643624480 /nfs/dbraw/zinc/62/44/80/643624480.db2.gz KIEIIYGNJWIQPQ-RKDXNWHRSA-N 1 3 213.281 -1.076 20 0 BAADHO NCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000085790387 643624674 /nfs/dbraw/zinc/62/46/74/643624674.db2.gz KIEIIYGNJWIQPQ-DTWKUNHWSA-N 1 3 213.281 -1.076 20 0 BAADHO NCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000085790387 643624669 /nfs/dbraw/zinc/62/46/69/643624669.db2.gz KIEIIYGNJWIQPQ-DTWKUNHWSA-N 1 3 213.281 -1.076 20 0 BAADHO NCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790389 644450674 /nfs/dbraw/zinc/45/06/74/644450674.db2.gz KIEIIYGNJWIQPQ-BDAKNGLRSA-N 1 3 213.281 -1.076 20 0 BAADHO NCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790389 644450668 /nfs/dbraw/zinc/45/06/68/644450668.db2.gz KIEIIYGNJWIQPQ-BDAKNGLRSA-N 1 3 213.281 -1.076 20 0 BAADHO NCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000085790391 644451975 /nfs/dbraw/zinc/45/19/75/644451975.db2.gz KIEIIYGNJWIQPQ-IUCAKERBSA-N 1 3 213.281 -1.076 20 0 BAADHO NCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000085790391 644451968 /nfs/dbraw/zinc/45/19/68/644451968.db2.gz KIEIIYGNJWIQPQ-IUCAKERBSA-N 1 3 213.281 -1.076 20 0 BAADHO COCCNCC(=O)NCC[NH+](C)C ZINC000086157897 643934375 /nfs/dbraw/zinc/93/43/75/643934375.db2.gz ZRVLCGLFQZHOQG-UHFFFAOYSA-N 1 3 203.286 -1.100 20 0 BAADHO C[NH2+]CCN(C)C(=O)CNCCOC ZINC000086158332 358427135 /nfs/dbraw/zinc/42/71/35/358427135.db2.gz JAWIGXCEXPPUAU-UHFFFAOYSA-N 1 3 203.286 -1.100 20 0 BAADHO COCCN(C)CCNC(=O)COCC[NH3+] ZINC000086434962 487878215 /nfs/dbraw/zinc/87/82/15/487878215.db2.gz GZDWPYAPFXODQD-UHFFFAOYSA-N 1 3 233.312 -1.344 20 0 BAADHO C[NH2+]CCCN(C)C(=O)CN1CCNCC1 ZINC000087471754 487659781 /nfs/dbraw/zinc/65/97/81/487659781.db2.gz HRBHUBGFOSBQOX-UHFFFAOYSA-N 1 3 228.340 -1.041 20 0 BAADHO CC1(OCC(=O)NCCC[NH3+])CNC1 ZINC000098060188 487718107 /nfs/dbraw/zinc/71/81/07/487718107.db2.gz YHMHFNWDHZLPJK-UHFFFAOYSA-N 1 3 201.270 -1.170 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[NH+](C)C ZINC000126051569 187231769 /nfs/dbraw/zinc/23/17/69/187231769.db2.gz CCIZGIFNDLEBPQ-JTQLQIEISA-N 1 3 244.339 -1.236 20 0 BAADHO C[NH2+]CCN(C)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126358796 343169444 /nfs/dbraw/zinc/16/94/44/343169444.db2.gz GZWQMXBMLGSFGD-JTQLQIEISA-N 1 3 244.339 -1.236 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[NH3+] ZINC000126409697 388694764 /nfs/dbraw/zinc/69/47/64/388694764.db2.gz QQBKIEUIYCCDQL-VIFPVBQESA-N 1 3 230.312 -1.449 20 0 BAADHO CC[C@@H](N)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000129090997 384164898 /nfs/dbraw/zinc/16/48/98/384164898.db2.gz UBTBBGQCJSXBNS-DTWKUNHWSA-N 1 3 214.313 -1.175 20 0 BAADHO C[C@H](N)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000132017299 371741856 /nfs/dbraw/zinc/74/18/56/371741856.db2.gz ULHFJPGXEIBOTO-YUMQZZPRSA-N 1 3 200.286 -1.565 20 0 BAADHO C[C@H](N)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000132017509 371741661 /nfs/dbraw/zinc/74/16/61/371741661.db2.gz ULHFJPGXEIBOTO-JGVFFNPUSA-N 1 3 200.286 -1.565 20 0 BAADHO C[C@@H](N)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000132017707 325195453 /nfs/dbraw/zinc/19/54/53/325195453.db2.gz ULHFJPGXEIBOTO-SFYZADRCSA-N 1 3 200.286 -1.565 20 0 BAADHO CN(CCC[NH3+])CCC(=O)NC(N)=O ZINC000133197252 372004694 /nfs/dbraw/zinc/00/46/94/372004694.db2.gz BNTAKFNMQUFCPE-UHFFFAOYSA-N 1 3 202.258 -1.148 20 0 BAADHO C[NH2+]CC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000193130582 356711523 /nfs/dbraw/zinc/71/15/23/356711523.db2.gz ZOQRXQVDXBULLY-SECBINFHSA-N 1 3 215.297 -1.005 20 0 BAADHO C[NH2+]CC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000193130593 173326258 /nfs/dbraw/zinc/32/62/58/173326258.db2.gz ZOQRXQVDXBULLY-VIFPVBQESA-N 1 3 215.297 -1.005 20 0 BAADHO O=S(=O)(N1CC[NH2+]CC1)N1CCCNCC1 ZINC000197110738 643668483 /nfs/dbraw/zinc/66/84/83/643668483.db2.gz UCWQYBDQBAEEKK-UHFFFAOYSA-N 1 3 248.352 -1.568 20 0 BAADHO COCCN(C)CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000216370523 355977925 /nfs/dbraw/zinc/97/79/25/355977925.db2.gz BQMNPLSNIHZOIM-ZJUUUORDSA-N 1 3 245.323 -1.596 20 0 BAADHO COCCN(C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000216370582 355978321 /nfs/dbraw/zinc/97/83/21/355978321.db2.gz BQMNPLSNIHZOIM-NXEZZACHSA-N 1 3 245.323 -1.596 20 0 BAADHO CN(CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000217774368 134250135 /nfs/dbraw/zinc/25/01/35/134250135.db2.gz FNDAYTPBZRNBJE-ZJUUUORDSA-N 1 3 227.308 -1.080 20 0 BAADHO CN(CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000217774433 134249769 /nfs/dbraw/zinc/24/97/69/134249769.db2.gz FNDAYTPBZRNBJE-NXEZZACHSA-N 1 3 227.308 -1.080 20 0 BAADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NCCN ZINC000218097785 535298057 /nfs/dbraw/zinc/29/80/57/535298057.db2.gz ZJPOQIXNMDPXNC-UHFFFAOYSA-N 1 3 244.339 -1.091 20 0 BAADHO CCC[N@H+](CC)CCNC(=O)C(=O)NCCN ZINC000218097785 535298053 /nfs/dbraw/zinc/29/80/53/535298053.db2.gz ZJPOQIXNMDPXNC-UHFFFAOYSA-N 1 3 244.339 -1.091 20 0 BAADHO C[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)N(C)C ZINC000226272412 388714028 /nfs/dbraw/zinc/71/40/28/388714028.db2.gz MRMUCDJFSWUUFR-HLTSFMKQSA-N 1 3 215.297 -1.225 20 0 BAADHO C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)N(C)C ZINC000226272418 387326373 /nfs/dbraw/zinc/32/63/73/387326373.db2.gz MRMUCDJFSWUUFR-DJLDLDEBSA-N 1 3 215.297 -1.225 20 0 BAADHO C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)N(C)C ZINC000226272425 388714154 /nfs/dbraw/zinc/71/41/54/388714154.db2.gz MRMUCDJFSWUUFR-IWSPIJDZSA-N 1 3 215.297 -1.225 20 0 BAADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000226394466 173030094 /nfs/dbraw/zinc/03/00/94/173030094.db2.gz NDSLDGSAEAUNID-BBBLOLIVSA-N 1 3 227.308 -1.080 20 0 BAADHO CCN(C)CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000227181966 388742828 /nfs/dbraw/zinc/74/28/28/388742828.db2.gz QMYJLGQEJOCAHQ-BDAKNGLRSA-N 1 3 215.297 -1.223 20 0 BAADHO CCN(C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000227181972 388743107 /nfs/dbraw/zinc/74/31/07/388743107.db2.gz QMYJLGQEJOCAHQ-RKDXNWHRSA-N 1 3 215.297 -1.223 20 0 BAADHO COCCN(C)CCNC(=O)[C@@H](C[NH3+])OC ZINC000227381958 134379209 /nfs/dbraw/zinc/37/92/09/134379209.db2.gz CXQVLSLHBUUGDE-SECBINFHSA-N 1 3 233.312 -1.346 20 0 BAADHO COCCN(C)CCNC(=O)[C@H](C[NH3+])OC ZINC000227381967 134379498 /nfs/dbraw/zinc/37/94/98/134379498.db2.gz CXQVLSLHBUUGDE-VIFPVBQESA-N 1 3 233.312 -1.346 20 0 BAADHO CO[C@@H](CN)C(=O)NCCOCC[NH+](C)C ZINC000227418900 358356618 /nfs/dbraw/zinc/35/66/18/358356618.db2.gz XFDLCSXJEYITFI-VIFPVBQESA-N 1 3 233.312 -1.346 20 0 BAADHO CO[C@H](CN)C(=O)NCCOCC[NH+](C)C ZINC000227418908 350494596 /nfs/dbraw/zinc/49/45/96/350494596.db2.gz XFDLCSXJEYITFI-SECBINFHSA-N 1 3 233.312 -1.346 20 0 BAADHO CN(C)CCOCCNC(=O)COCC[NH3+] ZINC000234261624 487788145 /nfs/dbraw/zinc/78/81/45/487788145.db2.gz PMJVHSKESBDGLS-UHFFFAOYSA-N 1 3 233.312 -1.344 20 0 BAADHO CNCC(=O)NCCOCC[NH+](C)C ZINC000234373533 342921863 /nfs/dbraw/zinc/92/18/63/342921863.db2.gz KEBZOSDMOQXAHA-UHFFFAOYSA-N 1 3 203.286 -1.100 20 0 BAADHO CC[NH2+]CCNC(=O)CNCCOC ZINC000236908684 343115086 /nfs/dbraw/zinc/11/50/86/343115086.db2.gz YTHUMJCJAMPCCT-UHFFFAOYSA-N 1 3 203.286 -1.052 20 0 BAADHO O=S(=O)(N[C@@H]1CCC[NH2+]C1)N1CCNCC1 ZINC000257907347 634522273 /nfs/dbraw/zinc/52/22/73/634522273.db2.gz IMMKQAOJKOVOIF-SECBINFHSA-N 1 3 248.352 -1.522 20 0 BAADHO O=S(=O)(N[C@H]1CCC[NH2+]C1)N1CCNCC1 ZINC000257907352 634523143 /nfs/dbraw/zinc/52/31/43/634523143.db2.gz IMMKQAOJKOVOIF-VIFPVBQESA-N 1 3 248.352 -1.522 20 0 BAADHO O=S(=O)(N[C@@H]1CC[NH2+]C1)N1CCNCC1 ZINC000258024946 634547423 /nfs/dbraw/zinc/54/74/23/634547423.db2.gz RUWSWDAMLLVPED-MRVPVSSYSA-N 1 3 234.325 -1.912 20 0 BAADHO O=S(=O)(N[C@H]1CC[NH2+]C1)N1CCNCC1 ZINC000258024948 634546727 /nfs/dbraw/zinc/54/67/27/634546727.db2.gz RUWSWDAMLLVPED-QMMMGPOBSA-N 1 3 234.325 -1.912 20 0 BAADHO C[NH2+]CCCNS(=O)(=O)N1CCNCC1 ZINC000258071663 634561708 /nfs/dbraw/zinc/56/17/08/634561708.db2.gz VWFZODGHGQWTLY-UHFFFAOYSA-N 1 3 236.341 -1.665 20 0 BAADHO C[NH2+]CCNS(=O)(=O)N1CCNCC1 ZINC000258112648 631356320 /nfs/dbraw/zinc/35/63/20/631356320.db2.gz YUXBKIKCCCCSSE-UHFFFAOYSA-N 1 3 222.314 -2.055 20 0 BAADHO CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000261534111 536375059 /nfs/dbraw/zinc/37/50/59/536375059.db2.gz NDSLDGSAEAUNID-KXUCPTDWSA-N 1 3 227.308 -1.080 20 0 BAADHO CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000261534112 536374131 /nfs/dbraw/zinc/37/41/31/536374131.db2.gz NDSLDGSAEAUNID-OPRDCNLKSA-N 1 3 227.308 -1.080 20 0 BAADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000261534113 536374184 /nfs/dbraw/zinc/37/41/84/536374184.db2.gz NDSLDGSAEAUNID-UTLUCORTSA-N 1 3 227.308 -1.080 20 0 BAADHO CO[C@H](CN)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000261537337 536557113 /nfs/dbraw/zinc/55/71/13/536557113.db2.gz VIFVVJOXRIFUEK-BIIVOSGPSA-N 1 3 201.270 -1.092 20 0 BAADHO COCC[N@H+]1CC[C@@H](NC(=O)CN)C1 ZINC000261571681 135214420 /nfs/dbraw/zinc/21/44/20/135214420.db2.gz HRZMMSLFJQZMSC-MRVPVSSYSA-N 1 3 201.270 -1.218 20 0 BAADHO COCC[N@@H+]1CC[C@@H](NC(=O)CN)C1 ZINC000261571681 135214419 /nfs/dbraw/zinc/21/44/19/135214419.db2.gz HRZMMSLFJQZMSC-MRVPVSSYSA-N 1 3 201.270 -1.218 20 0 BAADHO COCC[N@H+]1CC[C@H](NC(=O)CN)C1 ZINC000261571682 135214334 /nfs/dbraw/zinc/21/43/34/135214334.db2.gz HRZMMSLFJQZMSC-QMMMGPOBSA-N 1 3 201.270 -1.218 20 0 BAADHO COCC[N@@H+]1CC[C@H](NC(=O)CN)C1 ZINC000261571682 135214332 /nfs/dbraw/zinc/21/43/32/135214332.db2.gz HRZMMSLFJQZMSC-QMMMGPOBSA-N 1 3 201.270 -1.218 20 0 BAADHO C[C@@H](N)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000306869942 259337724 /nfs/dbraw/zinc/33/77/24/259337724.db2.gz ULHFJPGXEIBOTO-HTQZYQBOSA-N 1 3 200.286 -1.565 20 0 BAADHO C[NH2+]CCCNC(=O)COC1CNC1 ZINC000308879601 349016622 /nfs/dbraw/zinc/01/66/22/349016622.db2.gz PIDZUEOASUDOCL-UHFFFAOYSA-N 1 3 201.270 -1.300 20 0 BAADHO CO[C@H](CN)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000308914695 323181539 /nfs/dbraw/zinc/18/15/39/323181539.db2.gz AYMOFGYVZVYVCJ-HTQZYQBOSA-N 1 3 201.270 -1.220 20 0 BAADHO CO[C@H](CN)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000308914696 323181484 /nfs/dbraw/zinc/18/14/84/323181484.db2.gz AYMOFGYVZVYVCJ-JGVFFNPUSA-N 1 3 201.270 -1.220 20 0 BAADHO CO[C@@H](CN)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000308914697 323181552 /nfs/dbraw/zinc/18/15/52/323181552.db2.gz AYMOFGYVZVYVCJ-SFYZADRCSA-N 1 3 201.270 -1.220 20 0 BAADHO CO[C@@H](CN)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000308914698 323181541 /nfs/dbraw/zinc/18/15/41/323181541.db2.gz AYMOFGYVZVYVCJ-YUMQZZPRSA-N 1 3 201.270 -1.220 20 0 BAADHO C[C@@H]([NH3+])CNC(=O)CCOC1CNC1 ZINC000309004973 491051681 /nfs/dbraw/zinc/05/16/81/491051681.db2.gz PKSXMTGGHPRWKW-SSDOTTSWSA-N 1 3 201.270 -1.172 20 0 BAADHO C[C@H]([NH3+])CNC(=O)CCOC1CNC1 ZINC000309004974 488004356 /nfs/dbraw/zinc/00/43/56/488004356.db2.gz PKSXMTGGHPRWKW-ZETCQYMHSA-N 1 3 201.270 -1.172 20 0 BAADHO CN(CCN1CC[NH2+]CC1)C(=O)CN ZINC000309016898 410850383 /nfs/dbraw/zinc/85/03/83/410850383.db2.gz UTKFDZYACHOCRB-UHFFFAOYSA-N 1 3 200.286 -1.691 20 0 BAADHO C[C@H](C[NH3+])NC(=O)COC1(C)CNC1 ZINC000309025660 410200960 /nfs/dbraw/zinc/20/09/60/410200960.db2.gz ZUFYZJFSTRQANG-SSDOTTSWSA-N 1 3 201.270 -1.172 20 0 BAADHO C[C@H](C[NH3+])NC(=O)CCOC1CNC1 ZINC000309070904 259438428 /nfs/dbraw/zinc/43/84/28/259438428.db2.gz CUOMANOGSJKFQC-SSDOTTSWSA-N 1 3 201.270 -1.172 20 0 BAADHO C[C@H](CC[NH3+])NC(=O)COC1CNC1 ZINC000309090201 323315758 /nfs/dbraw/zinc/31/57/58/323315758.db2.gz AVXHBBZIJOUEID-SSDOTTSWSA-N 1 3 201.270 -1.172 20 0 BAADHO C[C@@H](CC[NH3+])NC(=O)COC1CNC1 ZINC000309090202 323315377 /nfs/dbraw/zinc/31/53/77/323315377.db2.gz AVXHBBZIJOUEID-ZETCQYMHSA-N 1 3 201.270 -1.172 20 0 BAADHO CO[C@@H](CN)C(=O)NCC[NH2+]C1CC1 ZINC000309095349 631879670 /nfs/dbraw/zinc/87/96/70/631879670.db2.gz COOQOPVRXMWERZ-QMMMGPOBSA-N 1 3 201.270 -1.172 20 0 BAADHO COCCNCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000309096044 349984986 /nfs/dbraw/zinc/98/49/86/349984986.db2.gz CUWCBOYEHJYUTI-MRVPVSSYSA-N 1 3 201.270 -1.218 20 0 BAADHO COCCNCC(=O)N1CC[C@H]([NH3+])C1 ZINC000309096045 349985082 /nfs/dbraw/zinc/98/50/82/349985082.db2.gz CUWCBOYEHJYUTI-QMMMGPOBSA-N 1 3 201.270 -1.218 20 0 BAADHO CC[C@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000309101010 538117647 /nfs/dbraw/zinc/11/76/47/538117647.db2.gz FQFBZTOECKKSTI-SFYZADRCSA-N 1 3 201.270 -1.090 20 0 BAADHO CC[C@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000309101011 410248423 /nfs/dbraw/zinc/24/84/23/410248423.db2.gz FQFBZTOECKKSTI-YUMQZZPRSA-N 1 3 201.270 -1.090 20 0 BAADHO CO[C@H](CN)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000309102988 350013257 /nfs/dbraw/zinc/01/32/57/350013257.db2.gz GRDYZJJFHNZYMK-HTQZYQBOSA-N 1 3 201.270 -1.172 20 0 BAADHO CO[C@H](CN)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000309102989 350012924 /nfs/dbraw/zinc/01/29/24/350012924.db2.gz GRDYZJJFHNZYMK-JGVFFNPUSA-N 1 3 201.270 -1.172 20 0 BAADHO CO[C@@H](CN)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000309102990 350013151 /nfs/dbraw/zinc/01/31/51/350013151.db2.gz GRDYZJJFHNZYMK-SFYZADRCSA-N 1 3 201.270 -1.172 20 0 BAADHO CO[C@@H](CN)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000309102991 350013349 /nfs/dbraw/zinc/01/33/49/350013349.db2.gz GRDYZJJFHNZYMK-YUMQZZPRSA-N 1 3 201.270 -1.172 20 0 BAADHO CO[C@H](CN)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000309106230 350013130 /nfs/dbraw/zinc/01/31/30/350013130.db2.gz IAJPVJRHYUIKOL-HTQZYQBOSA-N 1 3 201.270 -1.186 20 0 BAADHO CO[C@H](CN)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000309106231 350013219 /nfs/dbraw/zinc/01/32/19/350013219.db2.gz IAJPVJRHYUIKOL-JGVFFNPUSA-N 1 3 201.270 -1.186 20 0 BAADHO CO[C@@H](CN)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000309106233 350012943 /nfs/dbraw/zinc/01/29/43/350012943.db2.gz IAJPVJRHYUIKOL-SFYZADRCSA-N 1 3 201.270 -1.186 20 0 BAADHO CO[C@@H](CN)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000309106235 350013240 /nfs/dbraw/zinc/01/32/40/350013240.db2.gz IAJPVJRHYUIKOL-YUMQZZPRSA-N 1 3 201.270 -1.186 20 0 BAADHO CO[C@H](CN)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000309118748 350035923 /nfs/dbraw/zinc/03/59/23/350035923.db2.gz MRDDYBKBWWQXHM-JGVFFNPUSA-N 1 3 201.270 -1.172 20 0 BAADHO CO[C@@H](CN)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000309118749 350035793 /nfs/dbraw/zinc/03/57/93/350035793.db2.gz MRDDYBKBWWQXHM-YUMQZZPRSA-N 1 3 201.270 -1.172 20 0 BAADHO CO[C@H](CN)C(=O)NCC1([NH3+])CCC1 ZINC000309146386 350106711 /nfs/dbraw/zinc/10/67/11/350106711.db2.gz VHMZYMZVDJESMN-SSDOTTSWSA-N 1 3 201.270 -1.042 20 0 BAADHO CO[C@@H](CN)C(=O)NCC1([NH3+])CCC1 ZINC000309146387 350106743 /nfs/dbraw/zinc/10/67/43/350106743.db2.gz VHMZYMZVDJESMN-ZETCQYMHSA-N 1 3 201.270 -1.042 20 0 BAADHO COCCNCC(=O)NC[C@H](C)C[NH3+] ZINC000309161648 410871678 /nfs/dbraw/zinc/87/16/78/410871678.db2.gz ZIHUJPVLFXTLKA-MRVPVSSYSA-N 1 3 203.286 -1.067 20 0 BAADHO COCCNCC(=O)NC[C@@H](C)C[NH3+] ZINC000309161649 410270073 /nfs/dbraw/zinc/27/00/73/410270073.db2.gz ZIHUJPVLFXTLKA-QMMMGPOBSA-N 1 3 203.286 -1.067 20 0 BAADHO [NH3+][C@@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000309253972 385998551 /nfs/dbraw/zinc/99/85/51/385998551.db2.gz ROFOSRVKQMHUIV-SNVBAGLBSA-N 1 3 226.324 -1.159 20 0 BAADHO CC(C)[C@@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000309271650 259342688 /nfs/dbraw/zinc/34/26/88/259342688.db2.gz AABOOQNIBQGMOJ-SNVBAGLBSA-N 1 3 228.340 -1.009 20 0 BAADHO [NH3+][C@@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000309334538 259342640 /nfs/dbraw/zinc/34/26/40/259342640.db2.gz AFVHTQOQOLAZMI-MRVPVSSYSA-N 1 3 213.281 -1.076 20 0 BAADHO [NH3+][C@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000309384201 323365497 /nfs/dbraw/zinc/36/54/97/323365497.db2.gz AFVHTQOQOLAZMI-QMMMGPOBSA-N 1 3 213.281 -1.076 20 0 BAADHO CC1(OCC(=O)N2CC[C@@H]([NH3+])C2)CNC1 ZINC000309391463 411163061 /nfs/dbraw/zinc/16/30/61/411163061.db2.gz FXQDRDKHDSXXBS-MRVPVSSYSA-N 1 3 213.281 -1.076 20 0 BAADHO C[NH2+]CCC(=O)N1CCN(C)C[C@H]1CN ZINC000309421293 323082083 /nfs/dbraw/zinc/08/20/83/323082083.db2.gz JXFMBYBHZQLOQC-SECBINFHSA-N 1 3 214.313 -1.303 20 0 BAADHO C[NH2+]CCC(=O)N1CCN(C)C[C@@H]1CN ZINC000309421296 387670507 /nfs/dbraw/zinc/67/05/07/387670507.db2.gz JXFMBYBHZQLOQC-VIFPVBQESA-N 1 3 214.313 -1.303 20 0 BAADHO O=C(COC1CNC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309486265 387804267 /nfs/dbraw/zinc/80/42/67/387804267.db2.gz GNTGWRKZFPHPMR-MBTKJCJQSA-N 1 3 211.265 -1.691 20 0 BAADHO O=C(COC1CNC1)N[C@@H]1CCC[NH2+]C1 ZINC000309489004 347077366 /nfs/dbraw/zinc/07/73/66/347077366.db2.gz HSABDXBGTFRLTQ-MRVPVSSYSA-N 1 3 213.281 -1.157 20 0 BAADHO O=C(COC1CNC1)N[C@H]1CCC[NH2+]C1 ZINC000309489007 387804154 /nfs/dbraw/zinc/80/41/54/387804154.db2.gz HSABDXBGTFRLTQ-QMMMGPOBSA-N 1 3 213.281 -1.157 20 0 BAADHO CC[C@H](N)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000309496973 350613487 /nfs/dbraw/zinc/61/34/87/350613487.db2.gz UBTBBGQCJSXBNS-BDAKNGLRSA-N 1 3 214.313 -1.175 20 0 BAADHO CC[C@H](N)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000309496975 347077672 /nfs/dbraw/zinc/07/76/72/347077672.db2.gz UBTBBGQCJSXBNS-IUCAKERBSA-N 1 3 214.313 -1.175 20 0 BAADHO O=C(COC1CNC1)NC[C@H]1CCC[NH2+]1 ZINC000309499322 323419027 /nfs/dbraw/zinc/41/90/27/323419027.db2.gz LBYPZVKLBXGNEO-MRVPVSSYSA-N 1 3 213.281 -1.157 20 0 BAADHO O=C(COC1CNC1)NC[C@@H]1CCC[NH2+]1 ZINC000309499324 387810463 /nfs/dbraw/zinc/81/04/63/387810463.db2.gz LBYPZVKLBXGNEO-QMMMGPOBSA-N 1 3 213.281 -1.157 20 0 BAADHO CC[C@H](N)C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000309510027 385645058 /nfs/dbraw/zinc/64/50/58/385645058.db2.gz XBHITVJKMKYDBE-YIZRAAEISA-N 1 3 213.281 -1.077 20 0 BAADHO C[C@@H]([NH3+])CC(=O)N1CCN(C)C[C@@H]1CN ZINC000309511759 411157934 /nfs/dbraw/zinc/15/79/34/411157934.db2.gz XMVRFTXDJGEETJ-BDAKNGLRSA-N 1 3 214.313 -1.175 20 0 BAADHO C[C@H]([NH3+])CC(=O)N1CCN(C)C[C@H]1CN ZINC000309511760 386015142 /nfs/dbraw/zinc/01/51/42/386015142.db2.gz XMVRFTXDJGEETJ-DTWKUNHWSA-N 1 3 214.313 -1.175 20 0 BAADHO C[C@H]([NH3+])CC(=O)N1CCN(C)C[C@@H]1CN ZINC000309511761 386015416 /nfs/dbraw/zinc/01/54/16/386015416.db2.gz XMVRFTXDJGEETJ-IUCAKERBSA-N 1 3 214.313 -1.175 20 0 BAADHO C[C@@H]([NH3+])CC(=O)N1CCN(C)C[C@H]1CN ZINC000309511762 411157770 /nfs/dbraw/zinc/15/77/70/411157770.db2.gz XMVRFTXDJGEETJ-RKDXNWHRSA-N 1 3 214.313 -1.175 20 0 BAADHO C[C@@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000309511768 411157662 /nfs/dbraw/zinc/15/76/62/411157662.db2.gz XMYMCVUWDJAYHE-SECBINFHSA-N 1 3 214.313 -1.303 20 0 BAADHO C[C@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000309511769 411157809 /nfs/dbraw/zinc/15/78/09/411157809.db2.gz XMYMCVUWDJAYHE-VIFPVBQESA-N 1 3 214.313 -1.303 20 0 BAADHO CN(C(=O)COC1CNC1)[C@@H]1CC[NH2+]C1 ZINC000309515634 323082257 /nfs/dbraw/zinc/08/22/57/323082257.db2.gz RIPLYALUTRCAPK-MRVPVSSYSA-N 1 3 213.281 -1.205 20 0 BAADHO CN(C(=O)COC1CNC1)[C@H]1CC[NH2+]C1 ZINC000309515635 323421872 /nfs/dbraw/zinc/42/18/72/323421872.db2.gz RIPLYALUTRCAPK-QMMMGPOBSA-N 1 3 213.281 -1.205 20 0 BAADHO C[NH2+]C[C@@H](C)CNC(=O)COC1CNC1 ZINC000309546203 326158681 /nfs/dbraw/zinc/15/86/81/326158681.db2.gz BQVXHAMIYYJVAX-MRVPVSSYSA-N 1 3 215.297 -1.054 20 0 BAADHO C[NH2+]C[C@H](C)CNC(=O)COC1CNC1 ZINC000309546205 326158353 /nfs/dbraw/zinc/15/83/53/326158353.db2.gz BQVXHAMIYYJVAX-QMMMGPOBSA-N 1 3 215.297 -1.054 20 0 BAADHO [NH3+]C[C@H]1CCCN1C(=O)COC1CNC1 ZINC000309549394 350747703 /nfs/dbraw/zinc/74/77/03/350747703.db2.gz JMXAMMMRMXKAJM-MRVPVSSYSA-N 1 3 213.281 -1.076 20 0 BAADHO [NH3+]C[C@@H]1CCCN1C(=O)COC1CNC1 ZINC000309549396 350748662 /nfs/dbraw/zinc/74/86/62/350748662.db2.gz JMXAMMMRMXKAJM-QMMMGPOBSA-N 1 3 213.281 -1.076 20 0 BAADHO [NH3+]C[C@@H](NC(=O)COC1CNC1)C1CC1 ZINC000309592114 370234078 /nfs/dbraw/zinc/23/40/78/370234078.db2.gz HCEJGVDEAPQLQL-SECBINFHSA-N 1 3 213.281 -1.172 20 0 BAADHO [NH3+]C[C@H](NC(=O)COC1CNC1)C1CC1 ZINC000309592115 370234165 /nfs/dbraw/zinc/23/41/65/370234165.db2.gz HCEJGVDEAPQLQL-VIFPVBQESA-N 1 3 213.281 -1.172 20 0 BAADHO CNCC(=O)NCCCN1CC[NH2+]CC1 ZINC000309604529 342745367 /nfs/dbraw/zinc/74/53/67/342745367.db2.gz XMKZFWNKIHGRKB-UHFFFAOYSA-N 1 3 214.313 -1.383 20 0 BAADHO [NH3+]C1(CNC(=O)COC2CNC2)CCC1 ZINC000309613634 342753344 /nfs/dbraw/zinc/75/33/44/342753344.db2.gz NGNNAOHQHNUBFN-UHFFFAOYSA-N 1 3 213.281 -1.028 20 0 BAADHO COCCNCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309628854 342760003 /nfs/dbraw/zinc/76/00/03/342760003.db2.gz JTNWESKIBPJKDV-MBTKJCJQSA-N 1 3 213.281 -1.444 20 0 BAADHO CN1CCN(C(=O)[C@H]2CC[NH2+]2)[C@@H](CN)C1 ZINC000309757701 326166667 /nfs/dbraw/zinc/16/66/67/326166667.db2.gz HYGPDTXLBJYUPP-DTWKUNHWSA-N 1 3 212.297 -1.550 20 0 BAADHO CN1CCN(C(=O)[C@H]2CC[NH2+]2)[C@H](CN)C1 ZINC000309757703 326167112 /nfs/dbraw/zinc/16/71/12/326167112.db2.gz HYGPDTXLBJYUPP-RKDXNWHRSA-N 1 3 212.297 -1.550 20 0 BAADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCC[NH+](C)C ZINC000336703935 386392538 /nfs/dbraw/zinc/39/25/38/386392538.db2.gz CCIZGIFNDLEBPQ-SNVBAGLBSA-N 1 3 244.339 -1.236 20 0 BAADHO CN(C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000357250017 386748107 /nfs/dbraw/zinc/74/81/07/386748107.db2.gz SXSMONQXBDSICX-SECBINFHSA-N 1 3 242.323 -1.468 20 0 BAADHO CN(C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000357250030 386748224 /nfs/dbraw/zinc/74/82/24/386748224.db2.gz SXSMONQXBDSICX-VIFPVBQESA-N 1 3 242.323 -1.468 20 0 BAADHO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@]1(F)CCNC1 ZINC000367034704 136079717 /nfs/dbraw/zinc/07/97/17/136079717.db2.gz ZLBBCEFPTAYPLE-NRPADANISA-N 1 3 231.271 -1.616 20 0 BAADHO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@]1(F)CCNC1 ZINC000367034705 136079867 /nfs/dbraw/zinc/07/98/67/136079867.db2.gz ZLBBCEFPTAYPLE-OYNCUSHFSA-N 1 3 231.271 -1.616 20 0 BAADHO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@]1(F)CCNC1 ZINC000367034706 136079746 /nfs/dbraw/zinc/07/97/46/136079746.db2.gz ZLBBCEFPTAYPLE-QXFUBDJGSA-N 1 3 231.271 -1.616 20 0 BAADHO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@]1(F)CCNC1 ZINC000367034707 136079748 /nfs/dbraw/zinc/07/97/48/136079748.db2.gz ZLBBCEFPTAYPLE-XKSSXDPKSA-N 1 3 231.271 -1.616 20 0 BAADHO CN(C)C[C@H]1CN(C(=O)C2C[NH2+]C2)CCO1 ZINC000367830355 387757389 /nfs/dbraw/zinc/75/73/89/387757389.db2.gz GXKLCCKHKLQEQG-JTQLQIEISA-N 1 3 227.308 -1.005 20 0 BAADHO CN(C)C[C@@H]1CN(C(=O)C2C[NH2+]C2)CCO1 ZINC000367830357 387757967 /nfs/dbraw/zinc/75/79/67/387757967.db2.gz GXKLCCKHKLQEQG-SNVBAGLBSA-N 1 3 227.308 -1.005 20 0 BAADHO O=C(NCCN1CC[NH2+]CC1)[C@@]1(F)CCNC1 ZINC000368560583 182186404 /nfs/dbraw/zinc/18/64/04/182186404.db2.gz DBUJRDMDWBJKSK-LLVKDONJSA-N 1 3 244.314 -1.291 20 0 BAADHO O=C(NCCN1CC[NH2+]CC1)[C@]1(F)CCNC1 ZINC000368560584 182186960 /nfs/dbraw/zinc/18/69/60/182186960.db2.gz DBUJRDMDWBJKSK-NSHDSACASA-N 1 3 244.314 -1.291 20 0 BAADHO O=C(NC1C[NH2+]C1)c1[nH]nc2c1CNCC2 ZINC000372567344 182119434 /nfs/dbraw/zinc/11/94/34/182119434.db2.gz FTZQYJWBEVDTRB-UHFFFAOYSA-N 1 3 221.264 -1.243 20 0 BAADHO [NH3+]CCOCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000378745131 388492790 /nfs/dbraw/zinc/49/27/90/388492790.db2.gz QYPHJGQIZQOZNF-YUMQZZPRSA-N 1 3 219.260 -1.222 20 0 BAADHO O=C(CCOC1CNC1)N[C@@H]1CC[NH2+]C1 ZINC000379468184 398146447 /nfs/dbraw/zinc/14/64/47/398146447.db2.gz ZGRUJUXNCROUCE-MRVPVSSYSA-N 1 3 213.281 -1.157 20 0 BAADHO O=C(CCOC1CNC1)N[C@H]1CC[NH2+]C1 ZINC000379468185 358501161 /nfs/dbraw/zinc/50/11/61/358501161.db2.gz ZGRUJUXNCROUCE-QMMMGPOBSA-N 1 3 213.281 -1.157 20 0 BAADHO CC(C)([NH3+])CNC(=O)COC1CNC1 ZINC000379805778 365275103 /nfs/dbraw/zinc/27/51/03/365275103.db2.gz NUULHSZHVVIZPM-UHFFFAOYSA-N 1 3 201.270 -1.172 20 0 BAADHO CC(C)(C[NH3+])NC(=O)COC1CNC1 ZINC000379900186 365429693 /nfs/dbraw/zinc/42/96/93/365429693.db2.gz FCYLVWJYAVIGAP-UHFFFAOYSA-N 1 3 201.270 -1.172 20 0 BAADHO C[NH2+]CCNC(=O)CCOC1CNC1 ZINC000379996249 365788036 /nfs/dbraw/zinc/78/80/36/365788036.db2.gz JPFDPRNPQCAIBW-UHFFFAOYSA-N 1 3 201.270 -1.300 20 0 BAADHO C[NH2+]CCCNC(=O)CNCCOC ZINC000379998732 398243324 /nfs/dbraw/zinc/24/33/24/398243324.db2.gz LFZYEUNGDNXKLG-UHFFFAOYSA-N 1 3 203.286 -1.052 20 0 BAADHO C[C@@H]([NH3+])CNC(=O)COC1(C)CNC1 ZINC000380075754 398183021 /nfs/dbraw/zinc/18/30/21/398183021.db2.gz FHZNTJNHPXPRCU-SSDOTTSWSA-N 1 3 201.270 -1.172 20 0 BAADHO C[C@H]([NH3+])CNC(=O)COC1(C)CNC1 ZINC000380075755 398183410 /nfs/dbraw/zinc/18/34/10/398183410.db2.gz FHZNTJNHPXPRCU-ZETCQYMHSA-N 1 3 201.270 -1.172 20 0 BAADHO CC[C@@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000380077089 398243871 /nfs/dbraw/zinc/24/38/71/398243871.db2.gz FQFBZTOECKKSTI-HTQZYQBOSA-N 1 3 201.270 -1.090 20 0 BAADHO CC[C@@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000380077090 398243806 /nfs/dbraw/zinc/24/38/06/398243806.db2.gz FQFBZTOECKKSTI-JGVFFNPUSA-N 1 3 201.270 -1.090 20 0 BAADHO COC(=O)[C@H]1CNCCCN1CC[NH3+] ZINC000380091631 343678318 /nfs/dbraw/zinc/67/83/18/343678318.db2.gz JAXNFSFLHMEPJZ-MRVPVSSYSA-N 1 3 201.270 -1.218 20 0 BAADHO COC(=O)[C@@H]1CNCCCN1CC[NH3+] ZINC000380091635 343678101 /nfs/dbraw/zinc/67/81/01/343678101.db2.gz JAXNFSFLHMEPJZ-QMMMGPOBSA-N 1 3 201.270 -1.218 20 0 BAADHO CO[C@H](CN)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000380136578 398244570 /nfs/dbraw/zinc/24/45/70/398244570.db2.gz USETWSNUCMVBJR-HTQZYQBOSA-N 1 3 201.270 -1.090 20 0 BAADHO CO[C@H](CN)C(=O)N1CCC[C@H]1C[NH3+] ZINC000380136581 365909035 /nfs/dbraw/zinc/90/90/35/365909035.db2.gz USETWSNUCMVBJR-JGVFFNPUSA-N 1 3 201.270 -1.090 20 0 BAADHO CO[C@@H](CN)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000380136584 365908100 /nfs/dbraw/zinc/90/81/00/365908100.db2.gz USETWSNUCMVBJR-SFYZADRCSA-N 1 3 201.270 -1.090 20 0 BAADHO CO[C@@H](CN)C(=O)N1CCC[C@H]1C[NH3+] ZINC000380136586 365909355 /nfs/dbraw/zinc/90/93/55/365909355.db2.gz USETWSNUCMVBJR-YUMQZZPRSA-N 1 3 201.270 -1.090 20 0 BAADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](CN)OC ZINC000380153467 346532042 /nfs/dbraw/zinc/53/20/42/346532042.db2.gz YHPBPDOGEDMCAE-HTQZYQBOSA-N 1 3 203.286 -1.068 20 0 BAADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H](CN)OC ZINC000380153469 346531950 /nfs/dbraw/zinc/53/19/50/346531950.db2.gz YHPBPDOGEDMCAE-JGVFFNPUSA-N 1 3 203.286 -1.068 20 0 BAADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H](CN)OC ZINC000380153472 346531930 /nfs/dbraw/zinc/53/19/30/346531930.db2.gz YHPBPDOGEDMCAE-SFYZADRCSA-N 1 3 203.286 -1.068 20 0 BAADHO C[NH2+]C[C@H](C)CNC(=O)[C@H](CN)OC ZINC000380153474 346531993 /nfs/dbraw/zinc/53/19/93/346531993.db2.gz YHPBPDOGEDMCAE-YUMQZZPRSA-N 1 3 203.286 -1.068 20 0 BAADHO CO[C@H](CN)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000380237422 344728949 /nfs/dbraw/zinc/72/89/49/344728949.db2.gz MRDDYBKBWWQXHM-HTQZYQBOSA-N 1 3 201.270 -1.172 20 0 BAADHO CO[C@@H](CN)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000380237425 367157923 /nfs/dbraw/zinc/15/79/23/367157923.db2.gz MRDDYBKBWWQXHM-SFYZADRCSA-N 1 3 201.270 -1.172 20 0 BAADHO CO[C@H](CN)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000380313722 346319756 /nfs/dbraw/zinc/31/97/56/346319756.db2.gz IAMZMZCTYCJBIP-HTQZYQBOSA-N 1 3 201.270 -1.090 20 0 BAADHO CO[C@@H](CN)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000380313724 346319949 /nfs/dbraw/zinc/31/99/49/346319949.db2.gz IAMZMZCTYCJBIP-SFYZADRCSA-N 1 3 201.270 -1.090 20 0 BAADHO C[NH2+]CCC(=O)NCCNCCOC ZINC000380344397 347187461 /nfs/dbraw/zinc/18/74/61/347187461.db2.gz SRNJIIYZPPRPFL-UHFFFAOYSA-N 1 3 203.286 -1.052 20 0 BAADHO CC1(OCC(=O)N2CC[C@H]([NH3+])C2)CNC1 ZINC000381047609 411284629 /nfs/dbraw/zinc/28/46/29/411284629.db2.gz FXQDRDKHDSXXBS-QMMMGPOBSA-N 1 3 213.281 -1.076 20 0 BAADHO [NH3+][C@@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000381312540 367379479 /nfs/dbraw/zinc/37/94/79/367379479.db2.gz PPAVMPXQRAHSNU-MRVPVSSYSA-N 1 3 213.281 -1.076 20 0 BAADHO C[C@H](C[NH3+])C(=O)N1CCN(C)C[C@@H]1CN ZINC000381344965 398253591 /nfs/dbraw/zinc/25/35/91/398253591.db2.gz YSWFXFSMEXKMMW-BDAKNGLRSA-N 1 3 214.313 -1.318 20 0 BAADHO C[C@@H](C[NH3+])C(=O)N1CCN(C)C[C@H]1CN ZINC000381344967 398253688 /nfs/dbraw/zinc/25/36/88/398253688.db2.gz YSWFXFSMEXKMMW-DTWKUNHWSA-N 1 3 214.313 -1.318 20 0 BAADHO C[C@@H](C[NH3+])C(=O)N1CCN(C)C[C@@H]1CN ZINC000381344969 398253575 /nfs/dbraw/zinc/25/35/75/398253575.db2.gz YSWFXFSMEXKMMW-IUCAKERBSA-N 1 3 214.313 -1.318 20 0 BAADHO C[C@H](C[NH3+])C(=O)N1CCN(C)C[C@H]1CN ZINC000381344970 398253656 /nfs/dbraw/zinc/25/36/56/398253656.db2.gz YSWFXFSMEXKMMW-RKDXNWHRSA-N 1 3 214.313 -1.318 20 0 BAADHO CN1CCN(C(=O)CCC[NH3+])[C@H](CN)C1 ZINC000381373346 367390143 /nfs/dbraw/zinc/39/01/43/367390143.db2.gz IFGARKVEADSEPH-SECBINFHSA-N 1 3 214.313 -1.173 20 0 BAADHO CN1CCN(C(=O)CCC[NH3+])[C@@H](CN)C1 ZINC000381373355 367390232 /nfs/dbraw/zinc/39/02/32/367390232.db2.gz IFGARKVEADSEPH-VIFPVBQESA-N 1 3 214.313 -1.173 20 0 BAADHO CNCC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000381510760 398261193 /nfs/dbraw/zinc/26/11/93/398261193.db2.gz PAAHITPBKYVLIA-UHFFFAOYSA-N 1 3 214.313 -1.431 20 0 BAADHO C[C@@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000381544299 346315707 /nfs/dbraw/zinc/31/57/07/346315707.db2.gz JWZCKTMOFRZMAH-SECBINFHSA-N 1 3 214.313 -1.255 20 0 BAADHO CC1(OCC(=O)N[C@@H]2CC[NH2+]C2)CNC1 ZINC000381576137 398263652 /nfs/dbraw/zinc/26/36/52/398263652.db2.gz CHUKLPWGHUJJOX-MRVPVSSYSA-N 1 3 213.281 -1.157 20 0 BAADHO CC1(OCC(=O)N[C@H]2CC[NH2+]C2)CNC1 ZINC000381576142 397760730 /nfs/dbraw/zinc/76/07/30/397760730.db2.gz CHUKLPWGHUJJOX-QMMMGPOBSA-N 1 3 213.281 -1.157 20 0 BAADHO C[NH2+][C@@H]1CCN(C(=O)COC2CNC2)C1 ZINC000381597741 344525623 /nfs/dbraw/zinc/52/56/23/344525623.db2.gz MISLPWYFJOMSHJ-MRVPVSSYSA-N 1 3 213.281 -1.205 20 0 BAADHO C[NH2+][C@H]1CCN(C(=O)COC2CNC2)C1 ZINC000381597743 344525687 /nfs/dbraw/zinc/52/56/87/344525687.db2.gz MISLPWYFJOMSHJ-QMMMGPOBSA-N 1 3 213.281 -1.205 20 0 BAADHO CO[C@@H](CN)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000382302904 711656605 /nfs/dbraw/zinc/65/66/05/711656605.db2.gz NZKWOEAORTZLQN-FXQIFTODSA-N 1 3 219.260 -1.224 20 0 BAADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[NH3+])C1 ZINC000389333140 488089670 /nfs/dbraw/zinc/08/96/70/488089670.db2.gz IANTXAWXLKMWCR-SECBINFHSA-N 1 3 242.323 -1.338 20 0 BAADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[NH3+])C1 ZINC000389333155 488089920 /nfs/dbraw/zinc/08/99/20/488089920.db2.gz IANTXAWXLKMWCR-VIFPVBQESA-N 1 3 242.323 -1.338 20 0 BAADHO [NH3+]CCCNC(=O)CCOC1CNC1 ZINC000389634203 357006996 /nfs/dbraw/zinc/00/69/96/357006996.db2.gz NKIDZOZCTSBINM-UHFFFAOYSA-N 1 3 201.270 -1.170 20 0 BAADHO [NH3+]CCNC(=O)CNC[C@H]1CCCO1 ZINC000389643700 357007934 /nfs/dbraw/zinc/00/79/34/357007934.db2.gz RPMDPHKDEYZFQX-MRVPVSSYSA-N 1 3 201.270 -1.170 20 0 BAADHO [NH3+]CCNC(=O)CNC[C@@H]1CCCO1 ZINC000389643701 357008084 /nfs/dbraw/zinc/00/80/84/357008084.db2.gz RPMDPHKDEYZFQX-QMMMGPOBSA-N 1 3 201.270 -1.170 20 0 BAADHO CO[C@H](CN)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000389649945 357009845 /nfs/dbraw/zinc/00/98/45/357009845.db2.gz VKTOAKIZQGTKPC-HTQZYQBOSA-N 1 3 201.270 -1.186 20 0 BAADHO CO[C@H](CN)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000389649946 357009824 /nfs/dbraw/zinc/00/98/24/357009824.db2.gz VKTOAKIZQGTKPC-JGVFFNPUSA-N 1 3 201.270 -1.186 20 0 BAADHO CO[C@@H](CN)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000389649947 357009762 /nfs/dbraw/zinc/00/97/62/357009762.db2.gz VKTOAKIZQGTKPC-SFYZADRCSA-N 1 3 201.270 -1.186 20 0 BAADHO CO[C@@H](CN)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000389649952 357009471 /nfs/dbraw/zinc/00/94/71/357009471.db2.gz VKTOAKIZQGTKPC-YUMQZZPRSA-N 1 3 201.270 -1.186 20 0 BAADHO C[C@H](C[NH3+])CNC(=O)COC1CNC1 ZINC000389733869 357020861 /nfs/dbraw/zinc/02/08/61/357020861.db2.gz TXIXDSMCWAGBPO-SSDOTTSWSA-N 1 3 201.270 -1.314 20 0 BAADHO C[C@@H](C[NH3+])CNC(=O)COC1CNC1 ZINC000389733870 357021007 /nfs/dbraw/zinc/02/10/07/357021007.db2.gz TXIXDSMCWAGBPO-ZETCQYMHSA-N 1 3 201.270 -1.314 20 0 BAADHO CC[NH2+]CCNC(=O)COC1CNC1 ZINC000389951620 371183696 /nfs/dbraw/zinc/18/36/96/371183696.db2.gz SIYURYNHEMHEHH-UHFFFAOYSA-N 1 3 201.270 -1.300 20 0 BAADHO C[NH2+]CCNC(=O)COC1(C)CNC1 ZINC000389963429 398152989 /nfs/dbraw/zinc/15/29/89/398152989.db2.gz WOABMHKLWXTIIJ-UHFFFAOYSA-N 1 3 201.270 -1.300 20 0 BAADHO COC[C@]1(CNC(=O)CN)CCC[NH2+]1 ZINC000389995337 357080493 /nfs/dbraw/zinc/08/04/93/357080493.db2.gz QFVOAJISSLTFLL-SECBINFHSA-N 1 3 201.270 -1.170 20 0 BAADHO COC[C@@]1(CNC(=O)CN)CCC[NH2+]1 ZINC000389995340 357080838 /nfs/dbraw/zinc/08/08/38/357080838.db2.gz QFVOAJISSLTFLL-VIFPVBQESA-N 1 3 201.270 -1.170 20 0 BAADHO C[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000390181356 357085407 /nfs/dbraw/zinc/08/54/07/357085407.db2.gz JWZCKTMOFRZMAH-VIFPVBQESA-N 1 3 214.313 -1.255 20 0 BAADHO C[NH2+]CCN(C)C(=O)COC1CNC1 ZINC000393614523 357289964 /nfs/dbraw/zinc/28/99/64/357289964.db2.gz MVFCBVPTKYPNMD-UHFFFAOYSA-N 1 3 201.270 -1.347 20 0 BAADHO COCCNCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000393626669 410751320 /nfs/dbraw/zinc/75/13/20/410751320.db2.gz ZVUIQQKJTYPGBY-MRVPVSSYSA-N 1 3 201.270 -1.300 20 0 BAADHO COCCNCC(=O)N[C@H]1CC[NH2+]C1 ZINC000393626671 357290781 /nfs/dbraw/zinc/29/07/81/357290781.db2.gz ZVUIQQKJTYPGBY-QMMMGPOBSA-N 1 3 201.270 -1.300 20 0 BAADHO C[C@@H]([NH3+])CCNC(=O)COC1CNC1 ZINC000393743491 357295660 /nfs/dbraw/zinc/29/56/60/357295660.db2.gz MBJKGGIODSBZHS-SSDOTTSWSA-N 1 3 201.270 -1.172 20 0 BAADHO C[C@H]([NH3+])CCNC(=O)COC1CNC1 ZINC000393743492 357295204 /nfs/dbraw/zinc/29/52/04/357295204.db2.gz MBJKGGIODSBZHS-ZETCQYMHSA-N 1 3 201.270 -1.172 20 0 BAADHO CCOC(=O)[C@H]1CNCCN1CC[NH3+] ZINC000393744212 353148323 /nfs/dbraw/zinc/14/83/23/353148323.db2.gz NFLHAOJUPIFXEN-MRVPVSSYSA-N 1 3 201.270 -1.218 20 0 BAADHO CCOC(=O)[C@@H]1CNCCN1CC[NH3+] ZINC000393744215 343922567 /nfs/dbraw/zinc/92/25/67/343922567.db2.gz NFLHAOJUPIFXEN-QMMMGPOBSA-N 1 3 201.270 -1.218 20 0 BAADHO [NH3+]C[C@@H]1CN(C(=O)CNC2CC2)CCO1 ZINC000393757296 357296041 /nfs/dbraw/zinc/29/60/41/357296041.db2.gz SZVOPYQZWIPZNE-SECBINFHSA-N 1 3 213.281 -1.076 20 0 BAADHO [NH3+]C[C@H]1CN(C(=O)CNC2CC2)CCO1 ZINC000393757298 357296423 /nfs/dbraw/zinc/29/64/23/357296423.db2.gz SZVOPYQZWIPZNE-VIFPVBQESA-N 1 3 213.281 -1.076 20 0 BAADHO CCCCN(C)CCNC(=O)C(=O)NCC[NH3+] ZINC000419280258 192122347 /nfs/dbraw/zinc/12/23/47/192122347.db2.gz DZDJWXOFSDOWDN-UHFFFAOYSA-N 1 3 244.339 -1.091 20 0 BAADHO N[C@@H]1C[C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000424172985 387868452 /nfs/dbraw/zinc/86/84/52/387868452.db2.gz LSKCVGGYTRLWNG-GARJFASQSA-N 1 3 238.335 -1.160 20 0 BAADHO N[C@@H]1C[C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000424172987 387868841 /nfs/dbraw/zinc/86/88/41/387868841.db2.gz LSKCVGGYTRLWNG-OUAUKWLOSA-N 1 3 238.335 -1.160 20 0 BAADHO Cn1cc([C@@H]2CN(C(=O)C3C[NH2+]C3)C[C@H]2N)cn1 ZINC000424294503 387957019 /nfs/dbraw/zinc/95/70/19/387957019.db2.gz OYJRMCCNJRQUHT-WDEREUQCSA-N 1 3 249.318 -1.107 20 0 BAADHO C[NH+](C)CCn1ccc(NC(=O)CN)n1 ZINC000430873589 412167585 /nfs/dbraw/zinc/16/75/85/412167585.db2.gz VAMGHVVQMWYRNG-UHFFFAOYSA-N 1 3 211.269 -0.658 20 0 BAADHO CN1CCC[C@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432514652 398237800 /nfs/dbraw/zinc/23/78/00/398237800.db2.gz NDSLDGSAEAUNID-LPEHRKFASA-N 1 3 227.308 -1.080 20 0 BAADHO CN1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479254648 530063848 /nfs/dbraw/zinc/06/38/48/530063848.db2.gz NDSLDGSAEAUNID-IVZWLZJFSA-N 1 3 227.308 -1.080 20 0 BAADHO CC[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000516288426 387495185 /nfs/dbraw/zinc/49/51/85/387495185.db2.gz CWGIHOQJHINAPI-DTWKUNHWSA-N 1 3 214.313 -1.257 20 0 BAADHO CC[C@@H](N)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000516288427 387494714 /nfs/dbraw/zinc/49/47/14/387494714.db2.gz CWGIHOQJHINAPI-RKDXNWHRSA-N 1 3 214.313 -1.257 20 0 BAADHO CC[N@@H+](C)C[C@H](O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000516580553 388355819 /nfs/dbraw/zinc/35/58/19/388355819.db2.gz KWOKUOIDOHUCLJ-SRVKXCTJSA-N 1 3 245.367 -1.094 20 0 BAADHO CC[N@H+](C)C[C@H](O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000516580553 388355818 /nfs/dbraw/zinc/35/58/18/388355818.db2.gz KWOKUOIDOHUCLJ-SRVKXCTJSA-N 1 3 245.367 -1.094 20 0 BAADHO CC[N@@H+](C)C[C@@H](O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000516580554 388356071 /nfs/dbraw/zinc/35/60/71/388356071.db2.gz KWOKUOIDOHUCLJ-WOPDTQHZSA-N 1 3 245.367 -1.094 20 0 BAADHO CC[N@H+](C)C[C@@H](O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000516580554 388356068 /nfs/dbraw/zinc/35/60/68/388356068.db2.gz KWOKUOIDOHUCLJ-WOPDTQHZSA-N 1 3 245.367 -1.094 20 0 BAADHO CN(CC[NH3+])C(=O)CCOC1CNC1 ZINC000516926139 259334366 /nfs/dbraw/zinc/33/43/66/259334366.db2.gz BFCSSBZGPWOZHW-UHFFFAOYSA-N 1 3 201.270 -1.218 20 0 BAADHO NCC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000516928107 388526681 /nfs/dbraw/zinc/52/66/81/388526681.db2.gz GHFFSHSTIVNXOJ-SECBINFHSA-N 1 3 242.323 -1.209 20 0 BAADHO NCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000516928108 388523260 /nfs/dbraw/zinc/52/32/60/388523260.db2.gz GHFFSHSTIVNXOJ-VIFPVBQESA-N 1 3 242.323 -1.209 20 0 BAADHO COCCNCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000518565935 384016218 /nfs/dbraw/zinc/01/62/18/384016218.db2.gz TUERERNIAGNTRK-VIFPVBQESA-N 1 3 230.312 -1.117 20 0 BAADHO CO[C@H](CN)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000519399202 386431247 /nfs/dbraw/zinc/43/12/47/386431247.db2.gz AYULDXPXCCFDAC-HRDYMLBCSA-N 1 3 213.281 -1.220 20 0 BAADHO CO[C@@H](CN)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000519399203 256647852 /nfs/dbraw/zinc/64/78/52/256647852.db2.gz AYULDXPXCCFDAC-VGMNWLOBSA-N 1 3 213.281 -1.220 20 0 BAADHO CCN(CCO)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000519558462 386491984 /nfs/dbraw/zinc/49/19/84/386491984.db2.gz ZJPPEGPVTJTISA-JTQLQIEISA-N 1 3 244.339 -1.038 20 0 BAADHO CCN(CC)CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000519635324 386511249 /nfs/dbraw/zinc/51/12/49/386511249.db2.gz UQJNUDKIXVAKMJ-UHFFFAOYSA-N 1 3 242.323 -1.468 20 0 BAADHO C[C@@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000563088508 323091292 /nfs/dbraw/zinc/09/12/92/323091292.db2.gz IZYCCJDQYKNRAG-NXEZZACHSA-N 1 3 226.324 -1.160 20 0 BAADHO C[C@@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000563088509 323091271 /nfs/dbraw/zinc/09/12/71/323091271.db2.gz IZYCCJDQYKNRAG-ZJUUUORDSA-N 1 3 226.324 -1.160 20 0 BAADHO CN1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](CN)C1 ZINC000563101408 323092388 /nfs/dbraw/zinc/09/23/88/323092388.db2.gz CIJIWOUBSDMXRL-HLTSFMKQSA-N 1 3 212.297 -1.565 20 0 BAADHO CN1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](CN)C1 ZINC000563101412 323092458 /nfs/dbraw/zinc/09/24/58/323092458.db2.gz CIJIWOUBSDMXRL-YIZRAAEISA-N 1 3 212.297 -1.565 20 0 BAADHO C[NH2+]C[C@@H](C)C(=O)N1CCN(C)C[C@H]1CN ZINC000563101548 323092492 /nfs/dbraw/zinc/09/24/92/323092492.db2.gz KMFAVWMFNMWCAV-NXEZZACHSA-N 1 3 228.340 -1.057 20 0 BAADHO C[NH2+]C[C@H](C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000563101549 323092337 /nfs/dbraw/zinc/09/23/37/323092337.db2.gz KMFAVWMFNMWCAV-UWVGGRQHSA-N 1 3 228.340 -1.057 20 0 BAADHO C[NH2+]C[C@H](C)C(=O)N1CCN(C)C[C@H]1CN ZINC000563101550 323092432 /nfs/dbraw/zinc/09/24/32/323092432.db2.gz KMFAVWMFNMWCAV-VHSXEESVSA-N 1 3 228.340 -1.057 20 0 BAADHO C[NH2+]C[C@@H](C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000563101551 323092341 /nfs/dbraw/zinc/09/23/41/323092341.db2.gz KMFAVWMFNMWCAV-ZJUUUORDSA-N 1 3 228.340 -1.057 20 0 BAADHO COCC[NH2+]CCNC(=O)C[C@H]1CNCCO1 ZINC000563109550 323093000 /nfs/dbraw/zinc/09/30/00/323093000.db2.gz UOWIOYICEIJYHY-JTQLQIEISA-N 1 3 245.323 -1.283 20 0 BAADHO COCC[NH2+]CCNC(=O)C[C@@H]1CNCCO1 ZINC000563109551 323093075 /nfs/dbraw/zinc/09/30/75/323093075.db2.gz UOWIOYICEIJYHY-SNVBAGLBSA-N 1 3 245.323 -1.283 20 0 BAADHO [NH3+]C[C@@H]1CN(C(=O)COC2CNC2)CCO1 ZINC000563109957 323092860 /nfs/dbraw/zinc/09/28/60/323092860.db2.gz SHXZOTUDXABWJW-MRVPVSSYSA-N 1 3 229.280 -1.839 20 0 BAADHO [NH3+]C[C@H]1CN(C(=O)COC2CNC2)CCO1 ZINC000563109958 323092884 /nfs/dbraw/zinc/09/28/84/323092884.db2.gz SHXZOTUDXABWJW-QMMMGPOBSA-N 1 3 229.280 -1.839 20 0 BAADHO CN1CC[NH2+]C[C@@H]1CNC(=O)C1(N)CCC1 ZINC000563115806 323093404 /nfs/dbraw/zinc/09/34/04/323093404.db2.gz OJGYSTPCNVMMSZ-SECBINFHSA-N 1 3 226.324 -1.112 20 0 BAADHO CN1CC[NH2+]C[C@H]1CNC(=O)C1(N)CCC1 ZINC000563115807 323093492 /nfs/dbraw/zinc/09/34/92/323093492.db2.gz OJGYSTPCNVMMSZ-VIFPVBQESA-N 1 3 226.324 -1.112 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C[NH3+] ZINC000563158553 323096807 /nfs/dbraw/zinc/09/68/07/323096807.db2.gz DRHAKPPIWSYUOZ-APPZFPTMSA-N 1 3 230.312 -1.451 20 0 BAADHO N[C@H]1C[C@@H]2CN(CCC[NH3+])CCN2C1=O ZINC000563432100 323125140 /nfs/dbraw/zinc/12/51/40/323125140.db2.gz KCDLHEAIGBWFDF-BDAKNGLRSA-N 1 3 212.297 -1.421 20 0 BAADHO N[C@@H]1C[C@H]2CN(CCC[NH3+])CCN2C1=O ZINC000563432101 323125221 /nfs/dbraw/zinc/12/52/21/323125221.db2.gz KCDLHEAIGBWFDF-DTWKUNHWSA-N 1 3 212.297 -1.421 20 0 BAADHO N[C@H]1C[C@H]2CN(CCC[NH3+])CCN2C1=O ZINC000563432102 323125179 /nfs/dbraw/zinc/12/51/79/323125179.db2.gz KCDLHEAIGBWFDF-IUCAKERBSA-N 1 3 212.297 -1.421 20 0 BAADHO N[C@@H]1C[C@@H]2CN(CCC[NH3+])CCN2C1=O ZINC000563432103 323125207 /nfs/dbraw/zinc/12/52/07/323125207.db2.gz KCDLHEAIGBWFDF-RKDXNWHRSA-N 1 3 212.297 -1.421 20 0 BAADHO CC[C@@H]([NH3+])CNC(=O)COC1CNC1 ZINC000563535271 323129403 /nfs/dbraw/zinc/12/94/03/323129403.db2.gz RZHHNVZNRCXLMM-SSDOTTSWSA-N 1 3 201.270 -1.172 20 0 BAADHO CC[C@H]([NH3+])CNC(=O)COC1CNC1 ZINC000563535272 323129472 /nfs/dbraw/zinc/12/94/72/323129472.db2.gz RZHHNVZNRCXLMM-ZETCQYMHSA-N 1 3 201.270 -1.172 20 0 BAADHO C[C@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H](C)N1 ZINC000564329769 325391183 /nfs/dbraw/zinc/39/11/83/325391183.db2.gz VPJMRYWRKKWTPR-AXTSPUMRSA-N 1 3 227.308 -1.082 20 0 BAADHO C[NH+](C)CCOCCNC(=O)COC1CNC1 ZINC000564940775 388899645 /nfs/dbraw/zinc/89/96/45/388899645.db2.gz YLVIEKIMIDYMOY-UHFFFAOYSA-N 1 3 245.323 -1.331 20 0 BAADHO [NH3+]CCC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000564943727 384942465 /nfs/dbraw/zinc/94/24/65/384942465.db2.gz LHQLAIVOLVMKAM-UHFFFAOYSA-N 1 3 239.283 -1.498 20 0 BAADHO CC(C)([NH3+])CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565232911 325882823 /nfs/dbraw/zinc/88/28/23/325882823.db2.gz GXHUHDKOVFSPJK-BDAKNGLRSA-N 1 3 226.324 -1.033 20 0 BAADHO CC(C)([NH3+])CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565232912 325882818 /nfs/dbraw/zinc/88/28/18/325882818.db2.gz GXHUHDKOVFSPJK-DTWKUNHWSA-N 1 3 226.324 -1.033 20 0 BAADHO CC(C)([NH3+])CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565232913 388930079 /nfs/dbraw/zinc/93/00/79/388930079.db2.gz GXHUHDKOVFSPJK-IUCAKERBSA-N 1 3 226.324 -1.033 20 0 BAADHO CC(C)([NH3+])CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565232914 388929135 /nfs/dbraw/zinc/92/91/35/388929135.db2.gz GXHUHDKOVFSPJK-RKDXNWHRSA-N 1 3 226.324 -1.033 20 0 BAADHO CN1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H](CN)C1 ZINC000565253767 388932868 /nfs/dbraw/zinc/93/28/68/388932868.db2.gz LOLDRQRFUGVYEU-UWVGGRQHSA-N 1 3 241.339 -1.367 20 0 BAADHO CN1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@H](CN)C1 ZINC000565253770 388933912 /nfs/dbraw/zinc/93/39/12/388933912.db2.gz LOLDRQRFUGVYEU-VHSXEESVSA-N 1 3 241.339 -1.367 20 0 BAADHO O=C(NC[C@H]1CNCCO1)[C@@H]1CCC[NH2+]1 ZINC000566104361 384451907 /nfs/dbraw/zinc/45/19/07/384451907.db2.gz HVWUWCJLKQJFBP-BDAKNGLRSA-N 1 3 213.281 -1.157 20 0 BAADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1CCC[NH2+]1 ZINC000566104367 384452086 /nfs/dbraw/zinc/45/20/86/384452086.db2.gz HVWUWCJLKQJFBP-IUCAKERBSA-N 1 3 213.281 -1.157 20 0 BAADHO COCCNCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000566200140 326012060 /nfs/dbraw/zinc/01/20/60/326012060.db2.gz BIWKAEHJYYSULD-JTQLQIEISA-N 1 3 244.339 -1.676 20 0 BAADHO COCCNCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000566200141 326011599 /nfs/dbraw/zinc/01/15/99/326011599.db2.gz BIWKAEHJYYSULD-SNVBAGLBSA-N 1 3 244.339 -1.676 20 0 BAADHO CO[C@@H](CN)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000566200267 326012024 /nfs/dbraw/zinc/01/20/24/326012024.db2.gz JBVWTKPEKJNYGH-BDAKNGLRSA-N 1 3 230.312 -1.939 20 0 BAADHO CO[C@H](CN)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000566200274 326011675 /nfs/dbraw/zinc/01/16/75/326011675.db2.gz JBVWTKPEKJNYGH-DTWKUNHWSA-N 1 3 230.312 -1.939 20 0 BAADHO CO[C@@H](CN)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000566200276 326012017 /nfs/dbraw/zinc/01/20/17/326012017.db2.gz JBVWTKPEKJNYGH-IUCAKERBSA-N 1 3 230.312 -1.939 20 0 BAADHO CO[C@H](CN)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000566200277 326011731 /nfs/dbraw/zinc/01/17/31/326011731.db2.gz JBVWTKPEKJNYGH-RKDXNWHRSA-N 1 3 230.312 -1.939 20 0 BAADHO COCCNCC(=O)NCCN1CC[NH2+]CC1 ZINC000566204178 326012286 /nfs/dbraw/zinc/01/22/86/326012286.db2.gz KZUKOEICPQRAOI-UHFFFAOYSA-N 1 3 244.339 -1.756 20 0 BAADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000566211382 326014532 /nfs/dbraw/zinc/01/45/32/326014532.db2.gz FPYWBFVXFDWIFT-IVZWLZJFSA-N 1 3 244.314 -1.294 20 0 BAADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000566211383 326014151 /nfs/dbraw/zinc/01/41/51/326014151.db2.gz FPYWBFVXFDWIFT-LPEHRKFASA-N 1 3 244.314 -1.294 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC(C)(C)[NH3+] ZINC000566244514 326022895 /nfs/dbraw/zinc/02/28/95/326022895.db2.gz HGGHNWHKMPDGNW-VIFPVBQESA-N 1 3 244.339 -1.061 20 0 BAADHO [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2CNCCO2)C1 ZINC000566249592 326023937 /nfs/dbraw/zinc/02/39/37/326023937.db2.gz YNQVPJRDHNHWMS-HRDYMLBCSA-N 1 3 213.281 -1.172 20 0 BAADHO [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2CNCCO2)C1 ZINC000566249593 326024082 /nfs/dbraw/zinc/02/40/82/326024082.db2.gz YNQVPJRDHNHWMS-YIZRAAEISA-N 1 3 213.281 -1.172 20 0 BAADHO COCCN(CC[NH+](C)C)C(=O)CN ZINC000566250501 326014977 /nfs/dbraw/zinc/01/49/77/326014977.db2.gz AUAHKAZFXVMNIO-UHFFFAOYSA-N 1 3 203.286 -1.018 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000566251942 326024829 /nfs/dbraw/zinc/02/48/29/326024829.db2.gz ZPWOTMJEYSBSSM-MRTMQBJTSA-N 1 3 244.339 -1.062 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000566251951 326024834 /nfs/dbraw/zinc/02/48/34/326024834.db2.gz ZPWOTMJEYSBSSM-NRPADANISA-N 1 3 244.339 -1.062 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000566251953 326024864 /nfs/dbraw/zinc/02/48/64/326024864.db2.gz ZPWOTMJEYSBSSM-WEDXCCLWSA-N 1 3 244.339 -1.062 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000566251955 326024639 /nfs/dbraw/zinc/02/46/39/326024639.db2.gz ZPWOTMJEYSBSSM-XKSSXDPKSA-N 1 3 244.339 -1.062 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)CC[NH3+] ZINC000566562738 345193337 /nfs/dbraw/zinc/19/33/37/345193337.db2.gz XTQGOKXWWURVIA-SCZZXKLOSA-N 1 3 244.339 -1.061 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)CC[NH3+] ZINC000566562740 345193869 /nfs/dbraw/zinc/19/38/69/345193869.db2.gz XTQGOKXWWURVIA-WPRPVWTQSA-N 1 3 244.339 -1.061 20 0 BAADHO O=C(COC1CNC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000566619932 326069025 /nfs/dbraw/zinc/06/90/25/326069025.db2.gz WAKYDBZBBVEWCI-SCZZXKLOSA-N 1 3 225.292 -1.205 20 0 BAADHO C[C@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000566622210 326068862 /nfs/dbraw/zinc/06/88/62/326068862.db2.gz IZYCCJDQYKNRAG-UWVGGRQHSA-N 1 3 226.324 -1.160 20 0 BAADHO C[C@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000566622214 326068764 /nfs/dbraw/zinc/06/87/64/326068764.db2.gz IZYCCJDQYKNRAG-VHSXEESVSA-N 1 3 226.324 -1.160 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]([NH3+])C1 ZINC000566678492 326073539 /nfs/dbraw/zinc/07/35/39/326073539.db2.gz DTZGNGAKKUVMOT-WPRPVWTQSA-N 1 3 242.323 -1.355 20 0 BAADHO CNCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000566736590 326078398 /nfs/dbraw/zinc/07/83/98/326078398.db2.gz GMOZNSKZNHTRKN-JTQLQIEISA-N 1 3 226.324 -1.288 20 0 BAADHO CNCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000566736594 326078658 /nfs/dbraw/zinc/07/86/58/326078658.db2.gz GMOZNSKZNHTRKN-SNVBAGLBSA-N 1 3 226.324 -1.288 20 0 BAADHO CN(CCNC(=O)C(=O)NC1C[NH2+]C1)C1CC1 ZINC000567716504 326250217 /nfs/dbraw/zinc/25/02/17/326250217.db2.gz SWJHVSUOXBJEOC-UHFFFAOYSA-N 1 3 240.307 -1.715 20 0 BAADHO COCC[NH2+]CCNC(=O)COC1CNC1 ZINC000567838788 323091465 /nfs/dbraw/zinc/09/14/65/323091465.db2.gz APADWOVREOOVMI-UHFFFAOYSA-N 1 3 231.296 -1.673 20 0 BAADHO C[C@@H]1CN(C(=O)COC2CNC2)C[C@@H]1[NH3+] ZINC000567845181 323091976 /nfs/dbraw/zinc/09/19/76/323091976.db2.gz NJDFUQMMKQLDKQ-APPZFPTMSA-N 1 3 213.281 -1.220 20 0 BAADHO C[C@H]1CN(C(=O)COC2CNC2)C[C@@H]1[NH3+] ZINC000567845182 323092006 /nfs/dbraw/zinc/09/20/06/323092006.db2.gz NJDFUQMMKQLDKQ-CBAPKCEASA-N 1 3 213.281 -1.220 20 0 BAADHO C[C@H]1CN(C(=O)COC2CNC2)C[C@H]1[NH3+] ZINC000567845183 323091881 /nfs/dbraw/zinc/09/18/81/323091881.db2.gz NJDFUQMMKQLDKQ-IONNQARKSA-N 1 3 213.281 -1.220 20 0 BAADHO C[C@@H]1CN(C(=O)COC2CNC2)C[C@H]1[NH3+] ZINC000567845184 323091972 /nfs/dbraw/zinc/09/19/72/323091972.db2.gz NJDFUQMMKQLDKQ-VXNVDRBHSA-N 1 3 213.281 -1.220 20 0 BAADHO C[C@H]([NH3+])[C@H](C)NC(=O)COC1CNC1 ZINC000567849424 326269795 /nfs/dbraw/zinc/26/97/95/326269795.db2.gz YQDULOQPJATDLV-BQBZGAKWSA-N 1 3 201.270 -1.173 20 0 BAADHO C[C@@H](NC(=O)COC1CNC1)[C@H](C)[NH3+] ZINC000567849425 326269764 /nfs/dbraw/zinc/26/97/64/326269764.db2.gz YQDULOQPJATDLV-NKWVEPMBSA-N 1 3 201.270 -1.173 20 0 BAADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)COC1CNC1 ZINC000567849426 326269985 /nfs/dbraw/zinc/26/99/85/326269985.db2.gz YQDULOQPJATDLV-RNFRBKRXSA-N 1 3 201.270 -1.173 20 0 BAADHO C[C@@H]([NH3+])[C@H](C)NC(=O)COC1CNC1 ZINC000567849427 326270013 /nfs/dbraw/zinc/27/00/13/326270013.db2.gz YQDULOQPJATDLV-RQJHMYQMSA-N 1 3 201.270 -1.173 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)C[NH3+] ZINC000567907290 326281137 /nfs/dbraw/zinc/28/11/37/326281137.db2.gz UVPKFJAHYIQRPP-SCZZXKLOSA-N 1 3 244.339 -1.203 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)C[NH3+] ZINC000567907291 326280842 /nfs/dbraw/zinc/28/08/42/326280842.db2.gz UVPKFJAHYIQRPP-WPRPVWTQSA-N 1 3 244.339 -1.203 20 0 BAADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000568293582 326342491 /nfs/dbraw/zinc/34/24/91/326342491.db2.gz BLQWSQDYWNHJTJ-VIFPVBQESA-N 1 3 242.323 -1.516 20 0 BAADHO NC1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000568762944 326375815 /nfs/dbraw/zinc/37/58/15/326375815.db2.gz DKKYRVDMNGJGFM-JTQLQIEISA-N 1 3 238.335 -1.016 20 0 BAADHO NC1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000568762947 326375759 /nfs/dbraw/zinc/37/57/59/326375759.db2.gz DKKYRVDMNGJGFM-SNVBAGLBSA-N 1 3 238.335 -1.016 20 0 BAADHO CN1CC[C@@](O)(CNC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000568902686 326382401 /nfs/dbraw/zinc/38/24/01/326382401.db2.gz SRXQFPIQTPMAGY-GXSJLCMTSA-N 1 3 242.323 -1.286 20 0 BAADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000568902687 326382218 /nfs/dbraw/zinc/38/22/18/326382218.db2.gz SRXQFPIQTPMAGY-ONGXEEELSA-N 1 3 242.323 -1.286 20 0 BAADHO O=C(COC1CNC1)NCCN1CC[NH2+]CC1 ZINC000569220410 326395731 /nfs/dbraw/zinc/39/57/31/326395731.db2.gz HFTNXCOAVPDWOA-UHFFFAOYSA-N 1 3 242.323 -2.004 20 0 BAADHO CC1(C)CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CCN1 ZINC000569226959 326396089 /nfs/dbraw/zinc/39/60/89/326396089.db2.gz VLTRTTOHBHNQKR-DTWKUNHWSA-N 1 3 227.308 -1.080 20 0 BAADHO [NH3+]C[C@@H]1CN(C(=O)CCOC2CNC2)CCO1 ZINC000569455638 322966816 /nfs/dbraw/zinc/96/68/16/322966816.db2.gz ORMQZCDKONZCPU-SECBINFHSA-N 1 3 243.307 -1.449 20 0 BAADHO [NH3+]C[C@H]1CN(C(=O)CCOC2CNC2)CCO1 ZINC000569455647 384061050 /nfs/dbraw/zinc/06/10/50/384061050.db2.gz ORMQZCDKONZCPU-VIFPVBQESA-N 1 3 243.307 -1.449 20 0 BAADHO CN(C(=O)COC1CNC1)C1CC([NH3+])C1 ZINC000569603128 384522907 /nfs/dbraw/zinc/52/29/07/384522907.db2.gz FMDQFZWWYMXZLL-UHFFFAOYSA-N 1 3 213.281 -1.077 20 0 BAADHO CN(CCOCC[NH3+])CC(=O)N1CCNCC1 ZINC000571047059 323105187 /nfs/dbraw/zinc/10/51/87/323105187.db2.gz HWZBZHGXCFDDOS-UHFFFAOYSA-N 1 3 244.339 -1.675 20 0 BAADHO O=C(CCOC1CNC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000571164721 323137292 /nfs/dbraw/zinc/13/72/92/323137292.db2.gz XVQWEPXSCNSXIN-JZYVYDRUSA-N 1 3 225.292 -1.301 20 0 BAADHO CC(C)[C@@H](N)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000571207105 323137891 /nfs/dbraw/zinc/13/78/91/323137891.db2.gz NHKDRAPXRBXDAB-NXEZZACHSA-N 1 3 228.340 -1.011 20 0 BAADHO CC(C)[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000571207108 323137953 /nfs/dbraw/zinc/13/79/53/323137953.db2.gz NHKDRAPXRBXDAB-VHSXEESVSA-N 1 3 228.340 -1.011 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[C@H](C)[NH3+] ZINC000571522590 323146843 /nfs/dbraw/zinc/14/68/43/323146843.db2.gz BBWWMXQQFIQUPO-WPRPVWTQSA-N 1 3 244.339 -1.061 20 0 BAADHO C[NH2+]CCCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000571524053 323147311 /nfs/dbraw/zinc/14/73/11/323147311.db2.gz QGXXYBTTXFYURU-JTQLQIEISA-N 1 3 244.339 -1.188 20 0 BAADHO O=C(NC[C@H]1CNCCO1)N[C@H]1CC[NH2+]C1 ZINC000571582908 323148505 /nfs/dbraw/zinc/14/85/05/323148505.db2.gz KINYDAGHZYUMPU-DTWKUNHWSA-N 1 3 228.296 -1.364 20 0 BAADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1CC[NH2+]C1 ZINC000571582909 323148649 /nfs/dbraw/zinc/14/86/49/323148649.db2.gz KINYDAGHZYUMPU-IUCAKERBSA-N 1 3 228.296 -1.364 20 0 BAADHO CC1(C(=O)NC[C@H]2CNCCO2)C[NH2+]C1 ZINC000571909020 387189165 /nfs/dbraw/zinc/18/91/65/387189165.db2.gz QUSXCEUJZLCRTR-MRVPVSSYSA-N 1 3 213.281 -1.300 20 0 BAADHO CC1(C(=O)NC[C@@H]2CNCCO2)C[NH2+]C1 ZINC000571909021 387189331 /nfs/dbraw/zinc/18/93/31/387189331.db2.gz QUSXCEUJZLCRTR-QMMMGPOBSA-N 1 3 213.281 -1.300 20 0 BAADHO C[C@H]([NH3+])CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572857256 398201696 /nfs/dbraw/zinc/20/16/96/398201696.db2.gz RSWCIYQHQWBBDA-CIUDSAMLSA-N 1 3 212.297 -1.423 20 0 BAADHO C[C@H]([NH3+])CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572857257 398201759 /nfs/dbraw/zinc/20/17/59/398201759.db2.gz RSWCIYQHQWBBDA-DJLDLDEBSA-N 1 3 212.297 -1.423 20 0 BAADHO C[C@H]([NH3+])CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572857258 398201827 /nfs/dbraw/zinc/20/18/27/398201827.db2.gz RSWCIYQHQWBBDA-XHNCKOQMSA-N 1 3 212.297 -1.423 20 0 BAADHO C[C@H]([NH3+])CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572857259 388380898 /nfs/dbraw/zinc/38/08/98/388380898.db2.gz RSWCIYQHQWBBDA-YIZRAAEISA-N 1 3 212.297 -1.423 20 0 BAADHO CN1CC[NH2+]C[C@@H]1CNC(=O)COC1CNC1 ZINC000573088936 326428955 /nfs/dbraw/zinc/42/89/55/326428955.db2.gz BRWZGUFMTSROCB-SECBINFHSA-N 1 3 242.323 -2.005 20 0 BAADHO CN1CC[NH2+]C[C@H]1CNC(=O)COC1CNC1 ZINC000573088938 326428878 /nfs/dbraw/zinc/42/88/78/326428878.db2.gz BRWZGUFMTSROCB-VIFPVBQESA-N 1 3 242.323 -2.005 20 0 BAADHO CN(CCC[NH3+])C(=O)NC[C@H]1CNCCO1 ZINC000573387588 364821925 /nfs/dbraw/zinc/82/19/25/364821925.db2.gz SFHPBQCWUGJCRW-SECBINFHSA-N 1 3 230.312 -1.035 20 0 BAADHO CN(CCC[NH3+])C(=O)NC[C@@H]1CNCCO1 ZINC000573387589 364821256 /nfs/dbraw/zinc/82/12/56/364821256.db2.gz SFHPBQCWUGJCRW-VIFPVBQESA-N 1 3 230.312 -1.035 20 0 BAADHO O=C(CCOC1C[NH2+]C1)NC[C@@H]1CNCCO1 ZINC000573437451 364832250 /nfs/dbraw/zinc/83/22/50/364832250.db2.gz BGENQZAFYYOTOI-JTQLQIEISA-N 1 3 243.307 -1.531 20 0 BAADHO O=C(CCOC1C[NH2+]C1)NC[C@H]1CNCCO1 ZINC000573437452 364832291 /nfs/dbraw/zinc/83/22/91/364832291.db2.gz BGENQZAFYYOTOI-SNVBAGLBSA-N 1 3 243.307 -1.531 20 0 BAADHO CN1CCN(C(=O)CNC2CC2)[C@@H](C[NH3+])C1 ZINC000573486158 364844542 /nfs/dbraw/zinc/84/45/42/364844542.db2.gz AJJCWXYKKPTUAV-JTQLQIEISA-N 1 3 226.324 -1.160 20 0 BAADHO CN1CCN(C(=O)CNC2CC2)[C@H](C[NH3+])C1 ZINC000573486159 364844309 /nfs/dbraw/zinc/84/43/09/364844309.db2.gz AJJCWXYKKPTUAV-SNVBAGLBSA-N 1 3 226.324 -1.160 20 0 BAADHO O=C(CNC1CC1)NCCN1CC[NH2+]CC1 ZINC000573723318 364902657 /nfs/dbraw/zinc/90/26/57/364902657.db2.gz IBLDHZJQTZVZOB-UHFFFAOYSA-N 1 3 226.324 -1.240 20 0 BAADHO O=C(COC1CNC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000574321483 365036331 /nfs/dbraw/zinc/03/63/31/365036331.db2.gz YARSYHKXTOJVDQ-DTORHVGOSA-N 1 3 225.292 -1.347 20 0 BAADHO N[C@@H]1C[C@@H]2CN(CC3(C[NH3+])CC3)CCN2C1=O ZINC000574340173 365042646 /nfs/dbraw/zinc/04/26/46/365042646.db2.gz WNQZEFMWDJMFEA-NXEZZACHSA-N 1 3 238.335 -1.031 20 0 BAADHO N[C@H]1C[C@H]2CN(CC3(C[NH3+])CC3)CCN2C1=O ZINC000574340176 365042659 /nfs/dbraw/zinc/04/26/59/365042659.db2.gz WNQZEFMWDJMFEA-UWVGGRQHSA-N 1 3 238.335 -1.031 20 0 BAADHO N[C@@H]1C[C@H]2CN(CC3(C[NH3+])CC3)CCN2C1=O ZINC000574340177 365042385 /nfs/dbraw/zinc/04/23/85/365042385.db2.gz WNQZEFMWDJMFEA-VHSXEESVSA-N 1 3 238.335 -1.031 20 0 BAADHO N[C@H]1C[C@@H]2CN(CC3(C[NH3+])CC3)CCN2C1=O ZINC000574340178 365042813 /nfs/dbraw/zinc/04/28/13/365042813.db2.gz WNQZEFMWDJMFEA-ZJUUUORDSA-N 1 3 238.335 -1.031 20 0 BAADHO C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000574444191 365062135 /nfs/dbraw/zinc/06/21/35/365062135.db2.gz VOQFBBHHMWATBH-BDAKNGLRSA-N 1 3 215.297 -1.054 20 0 BAADHO C[NH2+]C[C@H](C)C(=O)NC[C@H]1CNCCO1 ZINC000574444194 365062147 /nfs/dbraw/zinc/06/21/47/365062147.db2.gz VOQFBBHHMWATBH-DTWKUNHWSA-N 1 3 215.297 -1.054 20 0 BAADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000574444196 365061815 /nfs/dbraw/zinc/06/18/15/365061815.db2.gz VOQFBBHHMWATBH-IUCAKERBSA-N 1 3 215.297 -1.054 20 0 BAADHO C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CNCCO1 ZINC000574444199 365062469 /nfs/dbraw/zinc/06/24/69/365062469.db2.gz VOQFBBHHMWATBH-RKDXNWHRSA-N 1 3 215.297 -1.054 20 0 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BAADHO CN(CC[NH3+])C(=O)C[C@H]1CNCCO1 ZINC000582904254 357427035 /nfs/dbraw/zinc/42/70/35/357427035.db2.gz IUDYVXZBVMICTM-QMMMGPOBSA-N 1 3 201.270 -1.218 20 0 BAADHO COCCNCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000583870963 358068271 /nfs/dbraw/zinc/06/82/71/358068271.db2.gz CCQVQHKIVSJOQZ-AOOOYVTPSA-N 1 3 227.308 -1.100 20 0 BAADHO O=C(COC1CNC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000583934065 342728359 /nfs/dbraw/zinc/72/83/59/342728359.db2.gz KMYWZFMGCHHXBE-JTQLQIEISA-N 1 3 243.307 -1.531 20 0 BAADHO O=C(COC1CNC1)NC[C@H]1C[NH2+]CCCO1 ZINC000583934066 342728394 /nfs/dbraw/zinc/72/83/94/342728394.db2.gz KMYWZFMGCHHXBE-SNVBAGLBSA-N 1 3 243.307 -1.531 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)NC(C)(C)C[NH3+] ZINC000584469927 357989503 /nfs/dbraw/zinc/98/95/03/357989503.db2.gz DBJYXKXUEZGSCJ-VIFPVBQESA-N 1 3 244.339 -1.061 20 0 BAADHO CN(C)CCOCC[NH2+]CCC(=O)NC(N)=O ZINC000591758639 347692132 /nfs/dbraw/zinc/69/21/32/347692132.db2.gz GMGOZVCNICCTRD-UHFFFAOYSA-N 1 3 246.311 -1.261 20 0 BAADHO C[NH2+]CCOCCN(C)CCC(=O)NC(N)=O ZINC000600731745 344364677 /nfs/dbraw/zinc/36/46/77/344364677.db2.gz UCVIDAPKQAROGU-UHFFFAOYSA-N 1 3 246.311 -1.261 20 0 BAADHO CNC(=O)NC(=O)CCN(C)CCOCC[NH3+] ZINC000600735645 344365299 /nfs/dbraw/zinc/36/52/99/344365299.db2.gz MXKJNQAHNAPXSF-UHFFFAOYSA-N 1 3 246.311 -1.261 20 0 BAADHO CN(CCOCC[NH3+])CCC(=O)NC(N)=O ZINC000600737444 344365757 /nfs/dbraw/zinc/36/57/57/344365757.db2.gz VJSZSFINKKVDGV-UHFFFAOYSA-N 1 3 232.284 -1.522 20 0 BAADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590795 349613918 /nfs/dbraw/zinc/61/39/18/349613918.db2.gz ZUJIQOKMSCWTGR-CIUDSAMLSA-N 1 3 241.291 -1.160 20 0 BAADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590796 349614244 /nfs/dbraw/zinc/61/42/44/349614244.db2.gz ZUJIQOKMSCWTGR-XHNCKOQMSA-N 1 3 241.291 -1.160 20 0 BAADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000614845199 363992338 /nfs/dbraw/zinc/99/23/38/363992338.db2.gz AIJCHQQLLQPXGC-NXEZZACHSA-N 1 3 229.324 -1.023 20 0 BAADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000614845199 363992334 /nfs/dbraw/zinc/99/23/34/363992334.db2.gz AIJCHQQLLQPXGC-NXEZZACHSA-N 1 3 229.324 -1.023 20 0 BAADHO CN(C)C[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000614845200 363991984 /nfs/dbraw/zinc/99/19/84/363991984.db2.gz AIJCHQQLLQPXGC-UWVGGRQHSA-N 1 3 229.324 -1.023 20 0 BAADHO CN(C)C[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000614845200 363991981 /nfs/dbraw/zinc/99/19/81/363991981.db2.gz AIJCHQQLLQPXGC-UWVGGRQHSA-N 1 3 229.324 -1.023 20 0 BAADHO CN(C)C[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000614845201 363992176 /nfs/dbraw/zinc/99/21/76/363992176.db2.gz AIJCHQQLLQPXGC-VHSXEESVSA-N 1 3 229.324 -1.023 20 0 BAADHO CN(C)C[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000614845201 363992174 /nfs/dbraw/zinc/99/21/74/363992174.db2.gz AIJCHQQLLQPXGC-VHSXEESVSA-N 1 3 229.324 -1.023 20 0 BAADHO CN(C)C[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000614845202 363992276 /nfs/dbraw/zinc/99/22/76/363992276.db2.gz AIJCHQQLLQPXGC-ZJUUUORDSA-N 1 3 229.324 -1.023 20 0 BAADHO CN(C)C[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000614845202 363992273 /nfs/dbraw/zinc/99/22/73/363992273.db2.gz AIJCHQQLLQPXGC-ZJUUUORDSA-N 1 3 229.324 -1.023 20 0 BAADHO C[NH+](C)CCCNc1nc(N)nc(N)n1 ZINC000623789262 371095324 /nfs/dbraw/zinc/09/53/24/371095324.db2.gz MROWRDWDUOKLSH-UHFFFAOYSA-N 1 3 211.273 -1.518 20 0 BAADHO Nc1nc(N)nc(N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000623879348 371138678 /nfs/dbraw/zinc/13/86/78/371138678.db2.gz DXZSXSRSRJXPII-OLQVQODUSA-N 1 3 221.268 -1.648 20 0 BAADHO Nc1nc(N)nc(N2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000623879349 371138819 /nfs/dbraw/zinc/13/88/19/371138819.db2.gz DXZSXSRSRJXPII-PHDIDXHHSA-N 1 3 221.268 -1.648 20 0 BAADHO Nc1nc(N)nc(N2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000623879350 371139095 /nfs/dbraw/zinc/13/90/95/371139095.db2.gz DXZSXSRSRJXPII-WDSKDSINSA-N 1 3 221.268 -1.648 20 0 BAADHO Nc1nc(N)nc(N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000623891844 371143074 /nfs/dbraw/zinc/14/30/74/371143074.db2.gz XEBLHFMHOCLGMI-LURJTMIESA-N 1 3 235.295 -1.233 20 0 BAADHO Nc1nc(N)nc(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000623891844 371143068 /nfs/dbraw/zinc/14/30/68/371143068.db2.gz XEBLHFMHOCLGMI-LURJTMIESA-N 1 3 235.295 -1.233 20 0 BAADHO Nc1nc(N)nc(N[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000623891845 371143135 /nfs/dbraw/zinc/14/31/35/371143135.db2.gz XEBLHFMHOCLGMI-ZCFIWIBFSA-N 1 3 235.295 -1.233 20 0 BAADHO Nc1nc(N)nc(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000623891845 371143131 /nfs/dbraw/zinc/14/31/31/371143131.db2.gz XEBLHFMHOCLGMI-ZCFIWIBFSA-N 1 3 235.295 -1.233 20 0 BAADHO C[C@@H](CC[NH+](C)C)Nc1nc(N)nc(N)n1 ZINC000623901234 371146729 /nfs/dbraw/zinc/14/67/29/371146729.db2.gz BXCLNYIMRXAWBW-LURJTMIESA-N 1 3 225.300 -1.129 20 0 BAADHO C[C@H](CC[NH+](C)C)Nc1nc(N)nc(N)n1 ZINC000623901235 371147360 /nfs/dbraw/zinc/14/73/60/371147360.db2.gz BXCLNYIMRXAWBW-ZCFIWIBFSA-N 1 3 225.300 -1.129 20 0 BAADHO C[NH+]1CCC(CNc2nc(N)nc(N)n2)CC1 ZINC000623925546 356812464 /nfs/dbraw/zinc/81/24/64/356812464.db2.gz IMSBYFMUWKYNGF-UHFFFAOYSA-N 1 3 237.311 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C[N@@H+]1CC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000623936801 371165289 /nfs/dbraw/zinc/16/52/89/371165289.db2.gz KDVSRSGGLSRLJD-ZCFIWIBFSA-N 1 3 223.284 -1.518 20 0 BAADHO C[N@H+]1CCC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000623955819 371195718 /nfs/dbraw/zinc/19/57/18/371195718.db2.gz LFOXBCFBXNFUHH-SSDOTTSWSA-N 1 3 237.311 -1.128 20 0 BAADHO C[N@@H+]1CCC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000623955819 371195717 /nfs/dbraw/zinc/19/57/17/371195717.db2.gz LFOXBCFBXNFUHH-SSDOTTSWSA-N 1 3 237.311 -1.128 20 0 BAADHO C[N@H+]1CCC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000623955820 371195878 /nfs/dbraw/zinc/19/58/78/371195878.db2.gz LFOXBCFBXNFUHH-ZETCQYMHSA-N 1 3 237.311 -1.128 20 0 BAADHO C[N@@H+]1CCC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000623955820 371195876 /nfs/dbraw/zinc/19/58/76/371195876.db2.gz LFOXBCFBXNFUHH-ZETCQYMHSA-N 1 3 237.311 -1.128 20 0 BAADHO C[NH+](C)C[C@](C)(O)CNc1nc(N)nc(N)n1 ZINC000624059892 371285181 /nfs/dbraw/zinc/28/51/81/371285181.db2.gz IOTXOUXVFOSBOY-SECBINFHSA-N 1 3 241.299 -2.157 20 0 BAADHO C[NH+](C)C[C@@](C)(O)CNc1nc(N)nc(N)n1 ZINC000624059893 371285015 /nfs/dbraw/zinc/28/50/15/371285015.db2.gz IOTXOUXVFOSBOY-VIFPVBQESA-N 1 3 241.299 -2.157 20 0 BAADHO C[N@@H+]1CC=C(CNc2nc(N)nc(N)n2)CC1 ZINC000624085946 371298005 /nfs/dbraw/zinc/29/80/05/371298005.db2.gz KVPMWHJOWJNCEM-UHFFFAOYSA-N 1 3 235.295 -1.208 20 0 BAADHO C[N@H+]1CC=C(CNc2nc(N)nc(N)n2)CC1 ZINC000624085946 371298000 /nfs/dbraw/zinc/29/80/00/371298000.db2.gz KVPMWHJOWJNCEM-UHFFFAOYSA-N 1 3 235.295 -1.208 20 0 BAADHO C[NH+](C)CCOCCNc1nc(N)nc(N)n1 ZINC000624087027 371299287 /nfs/dbraw/zinc/29/92/87/371299287.db2.gz DMPXZLALGFCRFR-UHFFFAOYSA-N 1 3 241.299 -1.891 20 0 BAADHO Nc1nc(N)nc(N2CC[NH+]3CCC2CC3)n1 ZINC000624149903 371347387 /nfs/dbraw/zinc/34/73/87/371347387.db2.gz BVNCJTRIGGFPCB-UHFFFAOYSA-N 1 3 235.295 -1.019 20 0 BAADHO C[N@@H+]1C[C@H]2CN(c3nc(N)nc(N)n3)C[C@H]2C1 ZINC000624164318 371358919 /nfs/dbraw/zinc/35/89/19/371358919.db2.gz FUQVYECQRWBVPL-KNVOCYPGSA-N 1 3 235.295 -1.305 20 0 BAADHO C[N@H+]1C[C@H]2CN(c3nc(N)nc(N)n3)C[C@H]2C1 ZINC000624164318 371358915 /nfs/dbraw/zinc/35/89/15/371358915.db2.gz FUQVYECQRWBVPL-KNVOCYPGSA-N 1 3 235.295 -1.305 20 0 BAADHO Nc1nc(NCCN2CC=CCC2)nc(N)[nH+]1 ZINC000624176426 371368196 /nfs/dbraw/zinc/36/81/96/371368196.db2.gz LDAOWZAWFMFMOV-UHFFFAOYSA-N 1 3 235.295 -1.208 20 0 BAADHO C[C@@H](CNc1nc(N)nc(N)n1)C[NH+](C)C ZINC000624238116 371426060 /nfs/dbraw/zinc/42/60/60/371426060.db2.gz LCFWTNMVXWWZHD-LURJTMIESA-N 1 3 225.300 -1.272 20 0 BAADHO C[C@H](CNc1nc(N)nc(N)n1)C[NH+](C)C ZINC000624238117 371426389 /nfs/dbraw/zinc/42/63/89/371426389.db2.gz LCFWTNMVXWWZHD-ZCFIWIBFSA-N 1 3 225.300 -1.272 20 0 BAADHO C[NH+](C)[C@@H]1[C@H]2CN(c3nc(N)nc(N)n3)C[C@H]21 ZINC000624257455 343620351 /nfs/dbraw/zinc/62/03/51/343620351.db2.gz DJFQRXJOQKOSPF-ZMONIFLSSA-N 1 3 235.295 -1.307 20 0 BAADHO C[NH+](C)[C@H]1C[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000624373235 371495093 /nfs/dbraw/zinc/49/50/93/371495093.db2.gz HZBMYDPLGURJHZ-KNVOCYPGSA-N 1 3 237.311 -1.129 20 0 BAADHO C[C@@H](CCNc1nc(N)nc(N)n1)[NH+](C)C ZINC000624391745 371498386 /nfs/dbraw/zinc/49/83/86/371498386.db2.gz CHMKMWPRVGDFSB-LURJTMIESA-N 1 3 225.300 -1.129 20 0 BAADHO C[C@H](CCNc1nc(N)nc(N)n1)[NH+](C)C ZINC000624391746 371497807 /nfs/dbraw/zinc/49/78/07/371497807.db2.gz CHMKMWPRVGDFSB-ZCFIWIBFSA-N 1 3 225.300 -1.129 20 0 BAADHO COCCNCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627083419 363232746 /nfs/dbraw/zinc/23/27/46/363232746.db2.gz TUERERNIAGNTRK-SECBINFHSA-N 1 3 230.312 -1.117 20 0 BAADHO CCN(CC[NH3+])C(=O)NC[C@H]1CNCCO1 ZINC000627102496 363261880 /nfs/dbraw/zinc/26/18/80/363261880.db2.gz NDPKTDJCNIPSNH-SECBINFHSA-N 1 3 230.312 -1.035 20 0 BAADHO CCN(CC[NH3+])C(=O)NC[C@@H]1CNCCO1 ZINC000627102497 363261486 /nfs/dbraw/zinc/26/14/86/363261486.db2.gz NDPKTDJCNIPSNH-VIFPVBQESA-N 1 3 230.312 -1.035 20 0 BAADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1CC[NH2+]C1 ZINC000627103490 363261306 /nfs/dbraw/zinc/26/13/06/363261306.db2.gz KINYDAGHZYUMPU-BDAKNGLRSA-N 1 3 228.296 -1.364 20 0 BAADHO 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ZINC000638253566 352096401 /nfs/dbraw/zinc/09/64/01/352096401.db2.gz BIJYKJNTHKGCST-IUCAKERBSA-N 1 3 214.313 -1.257 20 0 BAADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)CN1CCNCC1 ZINC000638253567 352096459 /nfs/dbraw/zinc/09/64/59/352096459.db2.gz BIJYKJNTHKGCST-RKDXNWHRSA-N 1 3 214.313 -1.257 20 0 BAADHO CC[C@@H]([NH3+])CNC(=O)CN1CCNCC1 ZINC000638255669 352099084 /nfs/dbraw/zinc/09/90/84/352099084.db2.gz LQLNCOJHQYYFDJ-SECBINFHSA-N 1 3 214.313 -1.255 20 0 BAADHO CC[C@H]([NH3+])CNC(=O)CN1CCNCC1 ZINC000638255670 352099003 /nfs/dbraw/zinc/09/90/03/352099003.db2.gz LQLNCOJHQYYFDJ-VIFPVBQESA-N 1 3 214.313 -1.255 20 0 BAADHO CN(C(=O)CN1CCNCC1)C1CC([NH3+])C1 ZINC000638257038 352099886 /nfs/dbraw/zinc/09/98/86/352099886.db2.gz ZZKKOGBJPBNXAK-UHFFFAOYSA-N 1 3 226.324 -1.160 20 0 BAADHO CC[C@H]([NH3+])CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638258139 352101923 /nfs/dbraw/zinc/10/19/23/352101923.db2.gz FPPHDMFFAVSMAO-BIIVOSGPSA-N 1 3 201.270 -1.044 20 0 BAADHO CC[C@@H]([NH3+])CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638258149 352101778 /nfs/dbraw/zinc/10/17/78/352101778.db2.gz FPPHDMFFAVSMAO-GJMOJQLCSA-N 1 3 201.270 -1.044 20 0 BAADHO C[NH+](C)CCOCCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638289742 352125728 /nfs/dbraw/zinc/12/57/28/352125728.db2.gz BIXFQOMRUKOCOS-VHSXEESVSA-N 1 3 245.323 -1.203 20 0 BAADHO C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@H]1[NH3+] ZINC000638332929 352151159 /nfs/dbraw/zinc/15/11/59/352151159.db2.gz QCURCRUKUVKZBG-BZNPZCIMSA-N 1 3 213.281 -1.092 20 0 BAADHO [NH3+]CC12CC(C1)CN2C(=O)CN1CCNCC1 ZINC000638419154 352228153 /nfs/dbraw/zinc/22/81/53/352228153.db2.gz UEJJBAUVFMUSKM-UHFFFAOYSA-N 1 3 238.335 -1.159 20 0 BAADHO O=C(CN1CCNCC1)NCC12CC(C1)C[NH2+]2 ZINC000638427716 352235773 /nfs/dbraw/zinc/23/57/73/352235773.db2.gz MDDYLMGHODJUPA-UHFFFAOYSA-N 1 3 238.335 -1.240 20 0 BAADHO C[NH2+]C[C@@H](C)NC(=O)CN1CCNCC1 ZINC000638431273 352239432 /nfs/dbraw/zinc/23/94/32/352239432.db2.gz DJCGXKHWRUFKKO-SECBINFHSA-N 1 3 214.313 -1.384 20 0 BAADHO C[NH2+]C[C@H](C)NC(=O)CN1CCNCC1 ZINC000638431276 352239128 /nfs/dbraw/zinc/23/91/28/352239128.db2.gz DJCGXKHWRUFKKO-VIFPVBQESA-N 1 3 214.313 -1.384 20 0 BAADHO N[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[C@H]1F ZINC000638431286 352239123 /nfs/dbraw/zinc/23/91/23/352239123.db2.gz QYLDGFKGVCOWHO-NXEZZACHSA-N 1 3 244.314 -1.211 20 0 BAADHO C[C@@]1(NC(=O)CN2CCNCC2)CC[NH2+]C1 ZINC000638439491 352249233 /nfs/dbraw/zinc/24/92/33/352249233.db2.gz IOONXUJVUMSTCZ-LLVKDONJSA-N 1 3 226.324 -1.240 20 0 BAADHO C[C@]1(NC(=O)CN2CCNCC2)CC[NH2+]C1 ZINC000638439493 352249195 /nfs/dbraw/zinc/24/91/95/352249195.db2.gz IOONXUJVUMSTCZ-NSHDSACASA-N 1 3 226.324 -1.240 20 0 BAADHO CCN(CC[NH3+])C(=O)[C@@H]1OCC[C@@H]1N ZINC000638512695 352338585 /nfs/dbraw/zinc/33/85/85/352338585.db2.gz JECFVBZHHYQWFV-JGVFFNPUSA-N 1 3 201.270 -1.090 20 0 BAADHO C[NH2+]CCOCCNC(=O)CN1CCNCC1 ZINC000638574138 352403876 /nfs/dbraw/zinc/40/38/76/352403876.db2.gz QHGXTJIUMIOUKQ-UHFFFAOYSA-N 1 3 244.339 -1.756 20 0 BAADHO CN[C@@H](C)C(=O)NCCOCC[NH2+]C ZINC000638575564 352403099 /nfs/dbraw/zinc/40/30/99/352403099.db2.gz GFWHCZDOJVSXRH-QMMMGPOBSA-N 1 3 203.286 -1.054 20 0 BAADHO C[NH2+]CCOCCNC(=O)CCOC1CNC1 ZINC000638579354 352409953 /nfs/dbraw/zinc/40/99/53/352409953.db2.gz OZQKGPWOKKJZSP-UHFFFAOYSA-N 1 3 245.323 -1.283 20 0 BAADHO C[NH2+]CCOCCNC(=O)COC1(C)CNC1 ZINC000638579508 352409903 /nfs/dbraw/zinc/40/99/03/352409903.db2.gz RMOJITSHMNQMME-UHFFFAOYSA-N 1 3 245.323 -1.283 20 0 BAADHO CNCC(=O)N(C)CCOCC[NH2+]C ZINC000638586799 352418571 /nfs/dbraw/zinc/41/85/71/352418571.db2.gz YVQVHRVKIMXDIJ-UHFFFAOYSA-N 1 3 203.286 -1.100 20 0 BAADHO C[NH2+]CCOCCN(C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638593725 352423626 /nfs/dbraw/zinc/42/36/26/352423626.db2.gz IBCHIJMGKJVQBX-VHSXEESVSA-N 1 3 245.323 -1.203 20 0 BAADHO [NH3+]CCCOCCNC(=O)CCOC1CNC1 ZINC000638663582 352507761 /nfs/dbraw/zinc/50/77/61/352507761.db2.gz PLMAOGDSHFCVRX-UHFFFAOYSA-N 1 3 245.323 -1.154 20 0 BAADHO CC1(OCC(=O)NCCOCCC[NH3+])CNC1 ZINC000638663876 352507949 /nfs/dbraw/zinc/50/79/49/352507949.db2.gz 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-1.201 20 0 BAADHO CN(CCOCC[NH3+])C(=O)C1(N)CC1 ZINC000638680463 352519041 /nfs/dbraw/zinc/51/90/41/352519041.db2.gz SAOXDHVLIQZZMV-UHFFFAOYSA-N 1 3 201.270 -1.089 20 0 BAADHO COCCNCC(=O)N(C)CCOCC[NH3+] ZINC000638680640 352519630 /nfs/dbraw/zinc/51/96/30/352519630.db2.gz WAUMWLYDSSQSEH-UHFFFAOYSA-N 1 3 233.312 -1.344 20 0 BAADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CN1CCNCC1 ZINC000638764835 352703983 /nfs/dbraw/zinc/70/39/83/352703983.db2.gz BPPKSTLWXQPWTO-VHSXEESVSA-N 1 3 226.324 -1.242 20 0 BAADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638765686 352704719 /nfs/dbraw/zinc/70/47/19/352704719.db2.gz KTLLXWLSMQSFHL-RBXMUDONSA-N 1 3 213.281 -1.031 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000638802249 352936566 /nfs/dbraw/zinc/93/65/66/352936566.db2.gz PRWGTWPUGOPEIB-SCZZXKLOSA-N 1 3 242.323 -1.436 20 0 BAADHO O=C(C[C@H]1CNCCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910018 353066902 /nfs/dbraw/zinc/06/69/02/353066902.db2.gz LNKXZSQFUFREIU-GUBZILKMSA-N 1 3 225.292 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PQQKLCZMIHSXNJ-IUCAKERBSA-N 1 3 225.292 -1.062 20 0 BAADHO O=C(CN1CCNCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638919109 353083707 /nfs/dbraw/zinc/08/37/07/353083707.db2.gz YHWRMQLSQUPBNB-UWVGGRQHSA-N 1 3 224.308 -1.536 20 0 BAADHO N[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638919138 353083900 /nfs/dbraw/zinc/08/39/00/353083900.db2.gz ZIBPABNXHSWLKV-MAUMQABQSA-N 1 3 211.265 -1.325 20 0 BAADHO O=C(CN1CCNCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927203 411514431 /nfs/dbraw/zinc/51/44/31/411514431.db2.gz VDIKJFWCQQSAJZ-PHIMTYICSA-N 1 3 238.335 -1.146 20 0 BAADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CN1CCNCC1 ZINC000638933769 353096331 /nfs/dbraw/zinc/09/63/31/353096331.db2.gz ZUXCLERVTVYFLO-NXEZZACHSA-N 1 3 226.324 -1.160 20 0 BAADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)CN1CCNCC1 ZINC000638933770 353096279 /nfs/dbraw/zinc/09/62/79/353096279.db2.gz ZUXCLERVTVYFLO-UWVGGRQHSA-N 1 3 226.324 -1.160 20 0 BAADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CN1CCNCC1 ZINC000638933771 353096169 /nfs/dbraw/zinc/09/61/69/353096169.db2.gz ZUXCLERVTVYFLO-VHSXEESVSA-N 1 3 226.324 -1.160 20 0 BAADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CN1CCNCC1 ZINC000638933772 353096270 /nfs/dbraw/zinc/09/62/70/353096270.db2.gz ZUXCLERVTVYFLO-ZJUUUORDSA-N 1 3 226.324 -1.160 20 0 BAADHO CN(CCCS(N)(=O)=O)CCOCC[NH3+] ZINC000641825511 362775149 /nfs/dbraw/zinc/77/51/49/362775149.db2.gz YKDGERLNRJWFAC-UHFFFAOYSA-N 1 3 239.341 -1.428 20 0 BAADHO N[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000643773355 385267899 /nfs/dbraw/zinc/26/78/99/385267899.db2.gz VMQOUUKACOEIBJ-HRDYMLBCSA-N 1 3 213.281 -1.172 20 0 BAADHO N[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000643773356 385268007 /nfs/dbraw/zinc/26/80/07/385268007.db2.gz VMQOUUKACOEIBJ-XHNCKOQMSA-N 1 3 213.281 -1.172 20 0 BAADHO CN1CCN(C(=O)COCC[NH3+])[C@H](CN)C1 ZINC000646833221 388563737 /nfs/dbraw/zinc/56/37/37/388563737.db2.gz RAPWLTXVQUBYEY-SECBINFHSA-N 1 3 230.312 -1.937 20 0 BAADHO CN1CCN(C(=O)COCC[NH3+])[C@@H](CN)C1 ZINC000646833222 388563011 /nfs/dbraw/zinc/56/30/11/388563011.db2.gz RAPWLTXVQUBYEY-VIFPVBQESA-N 1 3 230.312 -1.937 20 0 BAADHO CO[C@@H](C[NH3+])CC(=O)N1CCN(C)C[C@H]1CN ZINC000646833227 388563393 /nfs/dbraw/zinc/56/33/93/388563393.db2.gz SVEKBKNXIXCHNL-NXEZZACHSA-N 1 3 244.339 -1.549 20 0 BAADHO CO[C@H](C[NH3+])CC(=O)N1CCN(C)C[C@@H]1CN ZINC000646833228 388563795 /nfs/dbraw/zinc/56/37/95/388563795.db2.gz SVEKBKNXIXCHNL-UWVGGRQHSA-N 1 3 244.339 -1.549 20 0 BAADHO CO[C@@H](C[NH3+])CC(=O)N1CCN(C)C[C@@H]1CN ZINC000646833229 388563299 /nfs/dbraw/zinc/56/32/99/388563299.db2.gz SVEKBKNXIXCHNL-VHSXEESVSA-N 1 3 244.339 -1.549 20 0 BAADHO CO[C@H](C[NH3+])CC(=O)N1CCN(C)C[C@H]1CN ZINC000646833230 388563782 /nfs/dbraw/zinc/56/37/82/388563782.db2.gz SVEKBKNXIXCHNL-ZJUUUORDSA-N 1 3 244.339 -1.549 20 0 BAADHO COCCNCC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646842571 388617408 /nfs/dbraw/zinc/61/74/08/388617408.db2.gz CCPJPKRLTCWGQP-NXEZZACHSA-N 1 3 245.323 -1.203 20 0 BAADHO COCCNCC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646842585 388617547 /nfs/dbraw/zinc/61/75/47/388617547.db2.gz CCPJPKRLTCWGQP-UWVGGRQHSA-N 1 3 245.323 -1.203 20 0 BAADHO COCCNCC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646842586 388617602 /nfs/dbraw/zinc/61/76/02/388617602.db2.gz CCPJPKRLTCWGQP-VHSXEESVSA-N 1 3 245.323 -1.203 20 0 BAADHO COCCNCC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646842588 388617134 /nfs/dbraw/zinc/61/71/34/388617134.db2.gz CCPJPKRLTCWGQP-ZJUUUORDSA-N 1 3 245.323 -1.203 20 0 BAADHO COCC[NH2+]CCNC(=O)CCOC1CNC1 ZINC000646905113 385016588 /nfs/dbraw/zinc/01/65/88/385016588.db2.gz BNPFQMDTTZKGDZ-UHFFFAOYSA-N 1 3 245.323 -1.283 20 0 BAADHO N[C@H]1CCCCN(CC(=O)NCC[NH3+])C1=O ZINC000647605233 384927051 /nfs/dbraw/zinc/92/70/51/384927051.db2.gz WZQQXZNFWFMCII-QMMMGPOBSA-N 1 3 228.296 -1.599 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000647611122 384952161 /nfs/dbraw/zinc/95/21/61/384952161.db2.gz DTZGNGAKKUVMOT-SCZZXKLOSA-N 1 3 242.323 -1.355 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[NH2+]C1 ZINC000647680796 397863291 /nfs/dbraw/zinc/86/32/91/397863291.db2.gz PRWGTWPUGOPEIB-WPRPVWTQSA-N 1 3 242.323 -1.436 20 0 BAADHO C[NH2+]CCNC(=O)CN1CCCC[C@H](N)C1=O ZINC000647744237 385960044 /nfs/dbraw/zinc/96/00/44/385960044.db2.gz ZTVWYLPHSONMOK-VIFPVBQESA-N 1 3 242.323 -1.338 20 0 BAADHO CN(CCN1CC[NH2+]CC1)C(=O)C1(N)CC1 ZINC000647769949 386116692 /nfs/dbraw/zinc/11/66/92/386116692.db2.gz PROVBAIYJMHTNY-UHFFFAOYSA-N 1 3 226.324 -1.159 20 0 BAADHO C[C@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H](C)N1 ZINC000647805357 385844193 /nfs/dbraw/zinc/84/41/93/385844193.db2.gz VPJMRYWRKKWTPR-AATLWQCWSA-N 1 3 227.308 -1.082 20 0 BAADHO C[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H](C)N1 ZINC000647805358 385844450 /nfs/dbraw/zinc/84/44/50/385844450.db2.gz VPJMRYWRKKWTPR-DOLQZWNJSA-N 1 3 227.308 -1.082 20 0 BAADHO C[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H](C)N1 ZINC000647805359 385843933 /nfs/dbraw/zinc/84/39/33/385843933.db2.gz VPJMRYWRKKWTPR-QCLAVDOMSA-N 1 3 227.308 -1.082 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@H](C)C[NH3+] ZINC000647811024 385862946 /nfs/dbraw/zinc/86/29/46/385862946.db2.gz FGIAJKVKPWJZMI-SCZZXKLOSA-N 1 3 244.339 -1.109 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@@H](C)C[NH3+] ZINC000647811025 385863044 /nfs/dbraw/zinc/86/30/44/385863044.db2.gz FGIAJKVKPWJZMI-WPRPVWTQSA-N 1 3 244.339 -1.109 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)CCC[NH3+] ZINC000647830586 385873139 /nfs/dbraw/zinc/87/31/39/385873139.db2.gz SQIJEPSXXRUBLN-JTQLQIEISA-N 1 3 244.339 -1.107 20 0 BAADHO CN1CCN(C(=O)[C@H]2CCC[NH2+]2)[C@H](CN)C1 ZINC000647872791 386141347 /nfs/dbraw/zinc/14/13/47/386141347.db2.gz UGBMTJFPSSEPQS-NXEZZACHSA-N 1 3 226.324 -1.160 20 0 BAADHO CN1CCN(C(=O)[C@H]2CCC[NH2+]2)[C@@H](CN)C1 ZINC000647872792 386139490 /nfs/dbraw/zinc/13/94/90/386139490.db2.gz UGBMTJFPSSEPQS-VHSXEESVSA-N 1 3 226.324 -1.160 20 0 BAADHO CN1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](CN)C1 ZINC000647874237 386132794 /nfs/dbraw/zinc/13/27/94/386132794.db2.gz JTGIOIISXIFSEK-AEJSXWLSSA-N 1 3 226.324 -1.175 20 0 BAADHO CN1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](CN)C1 ZINC000647874238 386131529 /nfs/dbraw/zinc/13/15/29/386131529.db2.gz JTGIOIISXIFSEK-KXUCPTDWSA-N 1 3 226.324 -1.175 20 0 BAADHO CN1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H](CN)C1 ZINC000647874461 386140779 /nfs/dbraw/zinc/14/07/79/386140779.db2.gz YJUPOAXXFXOQFZ-UKKRHICBSA-N 1 3 238.335 -1.447 20 0 BAADHO CN1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H](CN)C1 ZINC000647874462 386140744 /nfs/dbraw/zinc/14/07/44/386140744.db2.gz YJUPOAXXFXOQFZ-ZNSHCXBVSA-N 1 3 238.335 -1.447 20 0 BAADHO COCC[NH2+]CCNC(=O)COC1(C)CNC1 ZINC000648106099 387030803 /nfs/dbraw/zinc/03/08/03/387030803.db2.gz AKPJELSZNRWBDS-UHFFFAOYSA-N 1 3 245.323 -1.283 20 0 BAADHO COCCNCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648106273 387028610 /nfs/dbraw/zinc/02/86/10/387028610.db2.gz UBZCGMKPKSCRRF-MYJAWHEDSA-N 1 3 227.308 -1.196 20 0 BAADHO CC1(OCC(=O)N2CCO[C@H](C[NH3+])C2)CNC1 ZINC000648110737 386782552 /nfs/dbraw/zinc/78/25/52/386782552.db2.gz KIRBMDCIVZSRRN-SECBINFHSA-N 1 3 243.307 -1.449 20 0 BAADHO CC1(OCC(=O)N2CCO[C@@H](C[NH3+])C2)CNC1 ZINC000648110738 386782750 /nfs/dbraw/zinc/78/27/50/386782750.db2.gz KIRBMDCIVZSRRN-VIFPVBQESA-N 1 3 243.307 -1.449 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)[NH3+] ZINC000648128939 384083163 /nfs/dbraw/zinc/08/31/63/384083163.db2.gz BAASIWMMTQDGJY-APPZFPTMSA-N 1 3 230.312 -1.451 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)[NH3+] ZINC000648128940 384082702 /nfs/dbraw/zinc/08/27/02/384082702.db2.gz BAASIWMMTQDGJY-CBAPKCEASA-N 1 3 230.312 -1.451 20 0 BAADHO CN1CC[C@@](N)(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000648140430 384169264 /nfs/dbraw/zinc/16/92/64/384169264.db2.gz UKVMSNCRTLKZAL-SJQPAMGKSA-N 1 3 224.308 -1.647 20 0 BAADHO CN1CC[C@](N)(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000648140432 384169925 /nfs/dbraw/zinc/16/99/25/384169925.db2.gz UKVMSNCRTLKZAL-UYAYMFIHSA-N 1 3 224.308 -1.647 20 0 BAADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CNCCOC1 ZINC000648140451 384169282 /nfs/dbraw/zinc/16/92/82/384169282.db2.gz VMTZOPAAUVCZMD-AXTSPUMRSA-N 1 3 225.292 -1.444 20 0 BAADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CNCCOC1 ZINC000648140453 384169840 /nfs/dbraw/zinc/16/98/40/384169840.db2.gz VMTZOPAAUVCZMD-IMSYWVGJSA-N 1 3 225.292 -1.444 20 0 BAADHO CC1(OCC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CNC1 ZINC000648140486 384169022 /nfs/dbraw/zinc/16/90/22/384169022.db2.gz WOFAGBZQSAWCHK-MBTKJCJQSA-N 1 3 225.292 -1.301 20 0 BAADHO COCCN(CCN(C)C)C(=O)COCC[NH3+] ZINC000648152599 385295228 /nfs/dbraw/zinc/29/52/28/385295228.db2.gz KRIGBDREPBCZLY-UHFFFAOYSA-N 1 3 247.339 -1.002 20 0 BAADHO O=C(NC[C@H]1CNCCO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648177142 384539268 /nfs/dbraw/zinc/53/92/68/384539268.db2.gz KVQFEHQCEWEOGB-KYXWUPHJSA-N 1 3 225.292 -1.159 20 0 BAADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648177143 384539718 /nfs/dbraw/zinc/53/97/18/384539718.db2.gz KVQFEHQCEWEOGB-RGOKHQFPSA-N 1 3 225.292 -1.159 20 0 BAADHO CN(CC[NH3+])C(=O)COC1(C)CNC1 ZINC000648177901 384593621 /nfs/dbraw/zinc/59/36/21/384593621.db2.gz ZYVCYUBMDNSGTP-UHFFFAOYSA-N 1 3 201.270 -1.218 20 0 BAADHO CN(C)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653139604 409860203 /nfs/dbraw/zinc/86/02/03/409860203.db2.gz OGKJAXLEIXBBKQ-ONGXEEELSA-N 1 3 227.308 -1.100 20 0 BAADHO CCO[C@@H]1CN(C(=O)CN)C[C@H]1C[NH3+] ZINC000653243996 410183539 /nfs/dbraw/zinc/18/35/39/410183539.db2.gz UGPOYHVNPRNHIK-HTQZYQBOSA-N 1 3 201.270 -1.233 20 0 BAADHO C[C@@H](O)CN[C@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000653282578 410638215 /nfs/dbraw/zinc/63/82/15/410638215.db2.gz BXEQAKOVZDETFE-BDAKNGLRSA-N 1 3 243.307 -1.354 20 0 BAADHO C[C@H](O)CN[C@@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000653282579 410638083 /nfs/dbraw/zinc/63/80/83/410638083.db2.gz BXEQAKOVZDETFE-DTWKUNHWSA-N 1 3 243.307 -1.354 20 0 BAADHO C[C@H](O)CN[C@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000653282580 410638032 /nfs/dbraw/zinc/63/80/32/410638032.db2.gz BXEQAKOVZDETFE-IUCAKERBSA-N 1 3 243.307 -1.354 20 0 BAADHO C[C@@H](O)CN[C@@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000653282581 410638420 /nfs/dbraw/zinc/63/84/20/410638420.db2.gz BXEQAKOVZDETFE-RKDXNWHRSA-N 1 3 243.307 -1.354 20 0 BAADHO C[C@H](CO)N[C@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000653285013 410644788 /nfs/dbraw/zinc/64/47/88/410644788.db2.gz AJVFDCWWNXOPGM-BDAKNGLRSA-N 1 3 243.307 -1.354 20 0 BAADHO C[C@@H](CO)N[C@@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000653285014 410644968 /nfs/dbraw/zinc/64/49/68/410644968.db2.gz AJVFDCWWNXOPGM-DTWKUNHWSA-N 1 3 243.307 -1.354 20 0 BAADHO C[C@@H](CO)N[C@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000653285015 410645296 /nfs/dbraw/zinc/64/52/96/410645296.db2.gz AJVFDCWWNXOPGM-IUCAKERBSA-N 1 3 243.307 -1.354 20 0 BAADHO C[C@H](CO)N[C@@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000653285016 410644492 /nfs/dbraw/zinc/64/44/92/410644492.db2.gz AJVFDCWWNXOPGM-RKDXNWHRSA-N 1 3 243.307 -1.354 20 0 BAADHO CN[C@@H](C)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000655414791 410218315 /nfs/dbraw/zinc/21/83/15/410218315.db2.gz SRGRTJYCANFKDB-JTQLQIEISA-N 1 3 228.340 -1.042 20 0 BAADHO C[NH2+]C[C@@](C)(O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000655945435 411161049 /nfs/dbraw/zinc/16/10/49/411161049.db2.gz CPDDNUUSKLDBHM-QJPTWQEYSA-N 1 3 243.351 -1.292 20 0 BAADHO C[NH2+]C[C@](C)(O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000655945436 411161648 /nfs/dbraw/zinc/16/16/48/411161648.db2.gz CPDDNUUSKLDBHM-TUAOUCFPSA-N 1 3 243.351 -1.292 20 0 BAADHO [NH3+]CCOCCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000655945690 411161861 /nfs/dbraw/zinc/16/18/61/411161861.db2.gz DYULWYXDJVRBPW-WDEREUQCSA-N 1 3 229.324 -1.288 20 0 BAADHO C[NH2+]CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655962508 411164060 /nfs/dbraw/zinc/16/40/60/411164060.db2.gz MZEVHBLWISJNJK-VHSXEESVSA-N 1 3 242.323 -1.334 20 0 BAADHO [NH3+]CCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655962760 411163949 /nfs/dbraw/zinc/16/39/49/411163949.db2.gz PQDUXVZLZSMSNZ-VHSXEESVSA-N 1 3 242.323 -1.204 20 0 BAADHO C[C@H](C[NH3+])NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655966378 411165039 /nfs/dbraw/zinc/16/50/39/411165039.db2.gz VJNQOLLIROULGU-KXUCPTDWSA-N 1 3 242.323 -1.206 20 0 BAADHO C[C@@H]([NH3+])CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655967480 411164463 /nfs/dbraw/zinc/16/44/63/411164463.db2.gz WOYHHCVMARMGLF-KXUCPTDWSA-N 1 3 242.323 -1.206 20 0 BAADHO C[C@H]([NH3+])CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655967481 411164341 /nfs/dbraw/zinc/16/43/41/411164341.db2.gz WOYHHCVMARMGLF-LPEHRKFASA-N 1 3 242.323 -1.206 20 0 BAADHO C[NH2+]CC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659357771 411402103 /nfs/dbraw/zinc/40/21/03/411402103.db2.gz MGOQFCSTPZQKIS-UHFFFAOYSA-N 1 3 244.339 -1.316 20 0 BAADHO C[C@@H](N)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659358108 411402222 /nfs/dbraw/zinc/40/22/22/411402222.db2.gz PDQAGPSYJVGOBV-SECBINFHSA-N 1 3 244.339 -1.188 20 0 BAADHO C[C@H](N)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659358109 411402312 /nfs/dbraw/zinc/40/23/12/411402312.db2.gz PDQAGPSYJVGOBV-VIFPVBQESA-N 1 3 244.339 -1.188 20 0 BAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC[NH3+] ZINC000659359267 411401774 /nfs/dbraw/zinc/40/17/74/411401774.db2.gz XSLYIFHZQXYXAH-UHFFFAOYSA-N 1 3 244.339 -1.186 20 0 BAADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1CNCCO1 ZINC000659553253 411435440 /nfs/dbraw/zinc/43/54/40/411435440.db2.gz IHGMSOYOMWQASG-BDAKNGLRSA-N 1 3 230.312 -1.118 20 0 BAADHO C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CNCCO1 ZINC000659553254 411435455 /nfs/dbraw/zinc/43/54/55/411435455.db2.gz IHGMSOYOMWQASG-DTWKUNHWSA-N 1 3 230.312 -1.118 20 0 BAADHO C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CNCCO1 ZINC000659553255 411435486 /nfs/dbraw/zinc/43/54/86/411435486.db2.gz IHGMSOYOMWQASG-IUCAKERBSA-N 1 3 230.312 -1.118 20 0 BAADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1CNCCO1 ZINC000659553257 411435409 /nfs/dbraw/zinc/43/54/09/411435409.db2.gz IHGMSOYOMWQASG-RKDXNWHRSA-N 1 3 230.312 -1.118 20 0 BAADHO O=C(N[C@H]1CC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC000659564200 411177014 /nfs/dbraw/zinc/17/70/14/411177014.db2.gz VVBDWZNNHSLJGM-VIFPVBQESA-N 1 3 240.307 -1.268 20 0 BAADHO C[NH2+]C[C@@H](C)NC(=O)N1CCOC2(CNC2)C1 ZINC000659641788 411277631 /nfs/dbraw/zinc/27/76/31/411277631.db2.gz HWSOSOMASZAFOT-SECBINFHSA-N 1 3 242.323 -1.022 20 0 BAADHO C[NH2+]C[C@H](C)NC(=O)N1CCOC2(CNC2)C1 ZINC000659641789 411277517 /nfs/dbraw/zinc/27/75/17/411277517.db2.gz HWSOSOMASZAFOT-VIFPVBQESA-N 1 3 242.323 -1.022 20 0 BAADHO C[NH2+]C[C@H](C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000659642875 411447347 /nfs/dbraw/zinc/44/73/47/411447347.db2.gz ZPHSRJIONHZARO-GXSJLCMTSA-N 1 3 244.339 -1.040 20 0 BAADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000659642877 411447249 /nfs/dbraw/zinc/44/72/49/411447249.db2.gz ZPHSRJIONHZARO-KOLCDFICSA-N 1 3 244.339 -1.040 20 0 BAADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000659642879 411447333 /nfs/dbraw/zinc/44/73/33/411447333.db2.gz ZPHSRJIONHZARO-MWLCHTKSSA-N 1 3 244.339 -1.040 20 0 BAADHO C[NH2+]C[C@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000659642881 411446891 /nfs/dbraw/zinc/44/68/91/411446891.db2.gz ZPHSRJIONHZARO-ONGXEEELSA-N 1 3 244.339 -1.040 20 0 BAADHO C[NH2+]C[C@@H](C)NC(=O)N1CCN(C)C[C@H]1CN ZINC000659643132 411289387 /nfs/dbraw/zinc/28/93/87/411289387.db2.gz NZKRUUNAOAJVLW-NXEZZACHSA-N 1 3 243.355 -1.121 20 0 BAADHO C[NH2+]C[C@H](C)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000659643133 411289445 /nfs/dbraw/zinc/28/94/45/411289445.db2.gz NZKRUUNAOAJVLW-UWVGGRQHSA-N 1 3 243.355 -1.121 20 0 BAADHO C[NH2+]C[C@H](C)NC(=O)N1CCN(C)C[C@H]1CN ZINC000659643134 411288967 /nfs/dbraw/zinc/28/89/67/411288967.db2.gz NZKRUUNAOAJVLW-VHSXEESVSA-N 1 3 243.355 -1.121 20 0 BAADHO C[NH2+]C[C@@H](C)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000659643135 411289410 /nfs/dbraw/zinc/28/94/10/411289410.db2.gz NZKRUUNAOAJVLW-ZJUUUORDSA-N 1 3 243.355 -1.121 20 0 BAADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CCN(C)C ZINC000659748751 411450028 /nfs/dbraw/zinc/45/00/28/411450028.db2.gz ASAOHSQFPAWLIP-SECBINFHSA-N 1 3 244.339 -1.270 20 0 BAADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CCN(C)C ZINC000659748752 411449910 /nfs/dbraw/zinc/44/99/10/411449910.db2.gz ASAOHSQFPAWLIP-VIFPVBQESA-N 1 3 244.339 -1.270 20 0 BAADHO CN(CCN1CC[NH2+]CC1)C[C@H]1CNCCO1 ZINC000662245516 412041806 /nfs/dbraw/zinc/04/18/06/412041806.db2.gz KJQIVGCSFXVCPI-GFCCVEGCSA-N 1 3 242.367 -1.188 20 0 BAADHO CN(CCN1CC[NH2+]CC1)C[C@@H]1CNCCO1 ZINC000662245524 412041672 /nfs/dbraw/zinc/04/16/72/412041672.db2.gz KJQIVGCSFXVCPI-LBPRGKRZSA-N 1 3 242.367 -1.188 20 0 BAADHO CN(C[C@H](O)C[NH3+])C[C@H]1CCC2(CNC2)O1 ZINC000662278504 412071725 /nfs/dbraw/zinc/07/17/25/412071725.db2.gz YUZRPOSHXXMSJM-NXEZZACHSA-N 1 3 229.324 -1.241 20 0 BAADHO CN(C[C@@H](O)C[NH3+])C[C@@H]1CCC2(CNC2)O1 ZINC000662278505 412070802 /nfs/dbraw/zinc/07/08/02/412070802.db2.gz YUZRPOSHXXMSJM-UWVGGRQHSA-N 1 3 229.324 -1.241 20 0 BAADHO CN(C[C@@H](O)C[NH3+])C[C@H]1CCC2(CNC2)O1 ZINC000662278506 412071061 /nfs/dbraw/zinc/07/10/61/412071061.db2.gz YUZRPOSHXXMSJM-VHSXEESVSA-N 1 3 229.324 -1.241 20 0 BAADHO CN(C[C@H](O)C[NH3+])C[C@@H]1CCC2(CNC2)O1 ZINC000662278507 412071295 /nfs/dbraw/zinc/07/12/95/412071295.db2.gz YUZRPOSHXXMSJM-ZJUUUORDSA-N 1 3 229.324 -1.241 20 0 BAADHO O[C@@H]1C[C@H]2CN(C[C@H]3CNCCO3)CC[N@H+]2C1 ZINC000662283283 409610303 /nfs/dbraw/zinc/61/03/03/409610303.db2.gz HADYUBHUIZLYFD-QJPTWQEYSA-N 1 3 241.335 -1.274 20 0 BAADHO O[C@@H]1C[C@H]2CN(C[C@H]3CNCCO3)CC[N@@H+]2C1 ZINC000662283283 409610297 /nfs/dbraw/zinc/61/02/97/409610297.db2.gz HADYUBHUIZLYFD-QJPTWQEYSA-N 1 3 241.335 -1.274 20 0 BAADHO O[C@@H]1C[C@H]2CN(C[C@@H]3CNCCO3)CC[N@H+]2C1 ZINC000662283284 409610787 /nfs/dbraw/zinc/61/07/87/409610787.db2.gz HADYUBHUIZLYFD-TUAOUCFPSA-N 1 3 241.335 -1.274 20 0 BAADHO O[C@@H]1C[C@H]2CN(C[C@@H]3CNCCO3)CC[N@@H+]2C1 ZINC000662283284 409610783 /nfs/dbraw/zinc/61/07/83/409610783.db2.gz HADYUBHUIZLYFD-TUAOUCFPSA-N 1 3 241.335 -1.274 20 0 BAADHO [NH3+]CCN(C[C@@H](O)CO)C[C@H]1CNCCO1 ZINC000662286657 412077138 /nfs/dbraw/zinc/07/71/38/412077138.db2.gz VSJARUMEIVXBET-NXEZZACHSA-N 1 3 233.312 -2.411 20 0 BAADHO [NH3+]CCN(C[C@H](O)CO)C[C@@H]1CNCCO1 ZINC000662286658 412077467 /nfs/dbraw/zinc/07/74/67/412077467.db2.gz VSJARUMEIVXBET-UWVGGRQHSA-N 1 3 233.312 -2.411 20 0 BAADHO [NH3+]CCN(C[C@H](O)CO)C[C@H]1CNCCO1 ZINC000662286659 412076839 /nfs/dbraw/zinc/07/68/39/412076839.db2.gz VSJARUMEIVXBET-VHSXEESVSA-N 1 3 233.312 -2.411 20 0 BAADHO [NH3+]CCN(C[C@@H](O)CO)C[C@@H]1CNCCO1 ZINC000662286660 412076714 /nfs/dbraw/zinc/07/67/14/412076714.db2.gz VSJARUMEIVXBET-ZJUUUORDSA-N 1 3 233.312 -2.411 20 0 BAADHO CN1CCN(C(=O)CC2([NH3+])CC2)[C@H](CN)C1 ZINC000662428096 412167049 /nfs/dbraw/zinc/16/70/49/412167049.db2.gz HAKAWBNJFMCQFU-SECBINFHSA-N 1 3 226.324 -1.031 20 0 BAADHO CN1CCN(C(=O)CC2([NH3+])CC2)[C@@H](CN)C1 ZINC000662428100 412166667 /nfs/dbraw/zinc/16/66/67/412166667.db2.gz HAKAWBNJFMCQFU-VIFPVBQESA-N 1 3 226.324 -1.031 20 0 BAADHO CN1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](CN)C1 ZINC000662428581 412166536 /nfs/dbraw/zinc/16/65/36/412166536.db2.gz JTGIOIISXIFSEK-GUBZILKMSA-N 1 3 226.324 -1.175 20 0 BAADHO CN1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@H](CN)C1 ZINC000662428582 412167035 /nfs/dbraw/zinc/16/70/35/412167035.db2.gz JTGIOIISXIFSEK-OPRDCNLKSA-N 1 3 226.324 -1.175 20 0 BAADHO N[C@@H]1CN(C(=O)COCC[NH3+])CC[C@H]1F ZINC000662748487 634470272 /nfs/dbraw/zinc/47/02/72/634470272.db2.gz WBXVFLUPKICPAO-HTQZYQBOSA-N 1 3 219.260 -1.141 20 0 BAADHO [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2CNCCO2)C1 ZINC000662816702 412310009 /nfs/dbraw/zinc/31/00/09/412310009.db2.gz YNQVPJRDHNHWMS-CIUDSAMLSA-N 1 3 213.281 -1.172 20 0 BAADHO [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2CNCCO2)C1 ZINC000662816703 412309368 /nfs/dbraw/zinc/30/93/68/412309368.db2.gz YNQVPJRDHNHWMS-IWSPIJDZSA-N 1 3 213.281 -1.172 20 0 BAADHO CN(CCC[NH+](C)C)CCNC(=O)CN ZINC000662858156 412327096 /nfs/dbraw/zinc/32/70/96/412327096.db2.gz VEZLVKYGIRZFIH-UHFFFAOYSA-N 1 3 216.329 -1.055 20 0 BAADHO CN(C)CCN(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662923134 412345899 /nfs/dbraw/zinc/34/58/99/412345899.db2.gz XSFSJSPBVZDVPD-UHFFFAOYSA-N 1 3 244.339 -1.186 20 0 BAADHO C[NH2+]C[C@@H](C)NC(=O)CNCCOC ZINC000662953198 409988871 /nfs/dbraw/zinc/98/88/71/409988871.db2.gz LOXFAAHSULWHTL-MRVPVSSYSA-N 1 3 203.286 -1.054 20 0 BAADHO C[NH2+]C[C@H](C)NC(=O)CNCCOC ZINC000662953199 409988589 /nfs/dbraw/zinc/98/85/89/409988589.db2.gz LOXFAAHSULWHTL-QMMMGPOBSA-N 1 3 203.286 -1.054 20 0 BAADHO C[NH2+]C[C@@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000662965270 412357303 /nfs/dbraw/zinc/35/73/03/412357303.db2.gz IWSVJGZZLMBROI-SCZZXKLOSA-N 1 3 244.339 -1.190 20 0 BAADHO C[NH2+]C[C@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000662965271 412357672 /nfs/dbraw/zinc/35/76/72/412357672.db2.gz IWSVJGZZLMBROI-WPRPVWTQSA-N 1 3 244.339 -1.190 20 0 BAADHO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCOC2(CNC2)C1 ZINC000663217447 412393147 /nfs/dbraw/zinc/39/31/47/412393147.db2.gz KFAHZYOQVRONNH-BBBLOLIVSA-N 1 3 237.303 -1.062 20 0 BAADHO O=C([C@H]1CCC[NH2+]1)N1CCOC2(CNC2)C1 ZINC000663484780 411669788 /nfs/dbraw/zinc/66/97/88/411669788.db2.gz IUIXOBDBTNXJBZ-SECBINFHSA-N 1 3 225.292 -1.061 20 0 BAADHO O=C([C@@H]1CCC[NH2+]1)N1CCOC2(CNC2)C1 ZINC000663484781 411669542 /nfs/dbraw/zinc/66/95/42/411669542.db2.gz IUIXOBDBTNXJBZ-VIFPVBQESA-N 1 3 225.292 -1.061 20 0 BAADHO C[NH2+][C@@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000663491670 411671822 /nfs/dbraw/zinc/67/18/22/411671822.db2.gz IHMFYJIWFGZOCT-QMMMGPOBSA-N 1 3 213.281 -1.205 20 0 BAADHO CC1(C(=O)N2CCOC3(CNC3)C2)C[NH2+]C1 ZINC000663492469 411671709 /nfs/dbraw/zinc/67/17/09/411671709.db2.gz VJPXQKOXMQPJFT-UHFFFAOYSA-N 1 3 225.292 -1.203 20 0 BAADHO COCCNCC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663493028 411671853 /nfs/dbraw/zinc/67/18/53/411671853.db2.gz ZYUDFGDAEFOQJK-UHFFFAOYSA-N 1 3 243.307 -1.577 20 0 BAADHO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCOC2(CNC2)C1 ZINC000664727420 410621598 /nfs/dbraw/zinc/62/15/98/410621598.db2.gz IDZBVSJXIBWUCF-MYJAWHEDSA-N 1 3 237.303 -1.347 20 0 BAADHO [NH3+][C@H]1C[C@@H](C(=O)N2CCOC3(CNC3)C2)C1 ZINC000664727803 412014203 /nfs/dbraw/zinc/01/42/03/412014203.db2.gz QQASBPKLLAJJOR-DTORHVGOSA-N 1 3 225.292 -1.076 20 0 BAADHO [NH3+][C@H]1C[C@H](C(=O)N2CCOC3(CNC3)C2)C1 ZINC000664727804 412013909 /nfs/dbraw/zinc/01/39/09/412013909.db2.gz QQASBPKLLAJJOR-KYZUINATSA-N 1 3 225.292 -1.076 20 0 BAADHO C[NH2+]CCN(C)C(=O)[C@@H](N)CN(C)C ZINC000702372146 712049179 /nfs/dbraw/zinc/04/91/79/712049179.db2.gz WIXUDZBQNDRBLD-QMMMGPOBSA-N 1 3 202.302 -1.447 20 0 BAADHO C[NH2+]CCCN(C)C(=O)[C@@H](N)CN(C)C ZINC000702401925 712051048 /nfs/dbraw/zinc/05/10/48/712051048.db2.gz OWXOAOPMHOVLSR-VIFPVBQESA-N 1 3 216.329 -1.057 20 0 BAADHO C[C@H](CNC(=O)[C@@H](N)CN(C)C)[NH+](C)C ZINC000702403259 712051024 /nfs/dbraw/zinc/05/10/24/712051024.db2.gz UHTQPEBWISSTOY-BDAKNGLRSA-N 1 3 216.329 -1.058 20 0 BAADHO C[C@@H](CNC(=O)[C@@H](N)CN(C)C)[NH+](C)C ZINC000702403261 712050518 /nfs/dbraw/zinc/05/05/18/712050518.db2.gz UHTQPEBWISSTOY-IUCAKERBSA-N 1 3 216.329 -1.058 20 0 BAADHO CN(C)C[C@H](N)C(=O)NCCOCC[NH+](C)C ZINC000702430679 712052175 /nfs/dbraw/zinc/05/21/75/712052175.db2.gz OMPFMNYAZGEIDB-JTQLQIEISA-N 1 3 246.355 -1.430 20 0 BAADHO COCCN(C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702432580 712053194 /nfs/dbraw/zinc/05/31/94/712053194.db2.gz WBOHUAYAVPNAIQ-JTQLQIEISA-N 1 3 246.355 -1.430 20 0 BAADHO CN(C)C[C@H](N)C(=O)NCCC[NH+](C)C ZINC000705343454 712129370 /nfs/dbraw/zinc/12/93/70/712129370.db2.gz SITQRSINVLTBJI-VIFPVBQESA-N 1 3 216.329 -1.057 20 0 BAADHO CN1CC[C@](O)(CNC2=[NH+]CCN2C)C1 ZINC000705729599 712135772 /nfs/dbraw/zinc/13/57/72/712135772.db2.gz WTXXCQFJUBTLKB-JTQLQIEISA-N 1 3 212.297 -1.056 20 0 BAADHO CN1CC[C@@](O)(CNC2=[NH+]CCN2C)C1 ZINC000705729601 712135873 /nfs/dbraw/zinc/13/58/73/712135873.db2.gz WTXXCQFJUBTLKB-SNVBAGLBSA-N 1 3 212.297 -1.056 20 0 BAADHO CN(CCn1cnnn1)CCN1CC[NH2+]CC1 ZINC000712574490 712448396 /nfs/dbraw/zinc/44/83/96/712448396.db2.gz BZVCSBCCSLORCN-UHFFFAOYSA-N 1 3 239.327 -1.490 20 0 BAADHO C[NH2+]CCOCCN(C)CCn1cnnn1 ZINC000712618438 712438844 /nfs/dbraw/zinc/43/88/44/712438844.db2.gz UXIDCCPQPGJLFQ-UHFFFAOYSA-N 1 3 228.300 -1.159 20 0 BAADHO CN(CCOCC[NH3+])CCn1cnnn1 ZINC000712619525 712438552 /nfs/dbraw/zinc/43/85/52/712438552.db2.gz XOVGXWJVSWHUGP-UHFFFAOYSA-N 1 3 214.273 -1.420 20 0 BAADHO C[C@H](O)[C@@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000717423730 712657969 /nfs/dbraw/zinc/65/79/69/712657969.db2.gz TXQFYBYZDGVMPH-AXFHLTTASA-N 1 3 232.324 -1.226 20 0 BAADHO C[C@H](O)[C@@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000717423731 712657725 /nfs/dbraw/zinc/65/77/25/712657725.db2.gz TXQFYBYZDGVMPH-DCAQKATOSA-N 1 3 232.324 -1.226 20 0 BAADHO C[C@H](O)[C@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000717423734 712657754 /nfs/dbraw/zinc/65/77/54/712657754.db2.gz TXQFYBYZDGVMPH-GARJFASQSA-N 1 3 232.324 -1.226 20 0 BAADHO C[C@H](O)[C@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000717423736 712658118 /nfs/dbraw/zinc/65/81/18/712658118.db2.gz TXQFYBYZDGVMPH-HBNTYKKESA-N 1 3 232.324 -1.226 20 0 BAADHO C[NH2+]CCN(C)S(=O)(=O)C1CNC1 ZINC000722232112 711728731 /nfs/dbraw/zinc/72/87/31/711728731.db2.gz NGLUJPRSVUHPNE-UHFFFAOYSA-N 1 3 207.299 -1.561 20 0 BAADHO CC[NH2+]CC(=O)NC[C@H]1CNCCO1 ZINC000818612203 586906517 /nfs/dbraw/zinc/90/65/17/586906517.db2.gz PUYFNXSKNVBHSL-MRVPVSSYSA-N 1 3 201.270 -1.300 20 0 BAADHO CC[NH2+]CC(=O)NC[C@@H]1CNCCO1 ZINC000818612204 586906925 /nfs/dbraw/zinc/90/69/25/586906925.db2.gz PUYFNXSKNVBHSL-QMMMGPOBSA-N 1 3 201.270 -1.300 20 0 BAADHO CN(C)CCN(CC[NH+](C)C)C(=O)CO ZINC000823123619 587204328 /nfs/dbraw/zinc/20/43/28/587204328.db2.gz CRBPDOREGUEJQY-UHFFFAOYSA-N 1 3 217.313 -1.070 20 0 BAADHO CC1C(=O)N(C)S(=O)(=O)N1CC1C[NH2+]C1 ZINC000830391229 587548706 /nfs/dbraw/zinc/54/87/06/587548706.db2.gz DEOLIGXWJMYABC-LURJTMIESA-N 1 3 233.293 -1.387 20 0 BAADHO CC1C(=O)N(C)S(=O)(=O)N1CC1C[NH2+]C1 ZINC000830391237 587548590 /nfs/dbraw/zinc/54/85/90/587548590.db2.gz DEOLIGXWJMYABC-ZCFIWIBFSA-N 1 3 233.293 -1.387 20 0 BAADHO [NH3+]C[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)CCO1 ZINC000834528722 587758851 /nfs/dbraw/zinc/75/88/51/587758851.db2.gz JDFPCAXEPVHDQP-PSASIEDQSA-N 1 3 231.271 -1.126 20 0 BAADHO [NH3+]C[C@@H]1CN(C(=O)[C@]2(F)CCNC2)CCO1 ZINC000834528723 587758821 /nfs/dbraw/zinc/75/88/21/587758821.db2.gz JDFPCAXEPVHDQP-SCZZXKLOSA-N 1 3 231.271 -1.126 20 0 BAADHO [NH3+]C[C@H]1CN(C(=O)[C@@]2(F)CCNC2)CCO1 ZINC000834528724 587758938 /nfs/dbraw/zinc/75/89/38/587758938.db2.gz JDFPCAXEPVHDQP-WCBMZHEXSA-N 1 3 231.271 -1.126 20 0 BAADHO [NH3+]C[C@H]1CN(C(=O)[C@]2(F)CCNC2)CCO1 ZINC000834528725 587758743 /nfs/dbraw/zinc/75/87/43/587758743.db2.gz JDFPCAXEPVHDQP-WPRPVWTQSA-N 1 3 231.271 -1.126 20 0 BAADHO O=C(NC[C@H]1CNCCO1)[C@@]1(F)CC[NH2+]C1 ZINC000842509177 588031616 /nfs/dbraw/zinc/03/16/16/588031616.db2.gz HJNQDHIWJKMSJJ-PSASIEDQSA-N 1 3 231.271 -1.207 20 0 BAADHO O=C(NC[C@H]1CNCCO1)[C@]1(F)CC[NH2+]C1 ZINC000842509178 588031828 /nfs/dbraw/zinc/03/18/28/588031828.db2.gz HJNQDHIWJKMSJJ-SCZZXKLOSA-N 1 3 231.271 -1.207 20 0 BAADHO O=C(NC[C@@H]1CNCCO1)[C@@]1(F)CC[NH2+]C1 ZINC000842509179 588031715 /nfs/dbraw/zinc/03/17/15/588031715.db2.gz HJNQDHIWJKMSJJ-WCBMZHEXSA-N 1 3 231.271 -1.207 20 0 BAADHO O=C(NC[C@@H]1CNCCO1)[C@]1(F)CC[NH2+]C1 ZINC000842509180 588031917 /nfs/dbraw/zinc/03/19/17/588031917.db2.gz HJNQDHIWJKMSJJ-WPRPVWTQSA-N 1 3 231.271 -1.207 20 0 BAADHO CCNCC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000843337707 588100690 /nfs/dbraw/zinc/10/06/90/588100690.db2.gz KWTRRYXLCGWEHB-UHFFFAOYSA-N 1 3 228.340 -1.041 20 0 BAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C[NH3+] ZINC000843469954 588111276 /nfs/dbraw/zinc/11/12/76/588111276.db2.gz DRHAKPPIWSYUOZ-CBAPKCEASA-N 1 3 230.312 -1.451 20 0 BAADHO C[C@@H](C[NH3+])NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848606140 588402019 /nfs/dbraw/zinc/40/20/19/588402019.db2.gz VJNQOLLIROULGU-LPEHRKFASA-N 1 3 242.323 -1.206 20 0 BAADHO [NH3+]CCN(CCO)C[C@H]1CNCCO1 ZINC000852745993 588698979 /nfs/dbraw/zinc/69/89/79/588698979.db2.gz BWTILIXWBOJHQK-SECBINFHSA-N 1 3 203.286 -1.772 20 0 BAADHO [NH3+]CCN(CCO)C[C@@H]1CNCCO1 ZINC000852745996 588698898 /nfs/dbraw/zinc/69/88/98/588698898.db2.gz BWTILIXWBOJHQK-VIFPVBQESA-N 1 3 203.286 -1.772 20 0 BAADHO [NH3+]CCN(CCO)C[C@@H]1CCC2(CNC2)O1 ZINC000852746331 588698914 /nfs/dbraw/zinc/69/89/14/588698914.db2.gz IWCBYBYVEDZTJW-JTQLQIEISA-N 1 3 229.324 -1.240 20 0 BAADHO [NH3+]CCN(CCO)C[C@H]1CCC2(CNC2)O1 ZINC000852746332 588699254 /nfs/dbraw/zinc/69/92/54/588699254.db2.gz IWCBYBYVEDZTJW-SNVBAGLBSA-N 1 3 229.324 -1.240 20 0 BAADHO NC[C@H]1CC(C(=O)N2CC[C@@H]([NH3+])C2)=NO1 ZINC000852789722 588702519 /nfs/dbraw/zinc/70/25/19/588702519.db2.gz DPNJMDRBBZFRQQ-RNFRBKRXSA-N 1 3 212.253 -1.350 20 0 BAADHO NC[C@@H]1CC(C(=O)N2CC[C@@H]([NH3+])C2)=NO1 ZINC000852789725 588702684 /nfs/dbraw/zinc/70/26/84/588702684.db2.gz DPNJMDRBBZFRQQ-RQJHMYQMSA-N 1 3 212.253 -1.350 20 0 BAADHO NC[C@@H]1CC(C(=O)NCCC[NH3+])=NO1 ZINC000852790277 588702814 /nfs/dbraw/zinc/70/28/14/588702814.db2.gz NWHRHKIPAHZULL-LURJTMIESA-N 1 3 200.242 -1.445 20 0 BAADHO NC[C@H]1CC(C(=O)NCCC[NH3+])=NO1 ZINC000852790278 588702715 /nfs/dbraw/zinc/70/27/15/588702715.db2.gz NWHRHKIPAHZULL-ZCFIWIBFSA-N 1 3 200.242 -1.445 20 0 BAADHO C[NH2+][C@@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852790806 588702873 /nfs/dbraw/zinc/70/28/73/588702873.db2.gz TZEWETFXMMGAHJ-HTQZYQBOSA-N 1 3 226.280 -1.090 20 0 BAADHO C[NH2+][C@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852790819 588702862 /nfs/dbraw/zinc/70/28/62/588702862.db2.gz TZEWETFXMMGAHJ-JGVFFNPUSA-N 1 3 226.280 -1.090 20 0 BAADHO C[NH2+][C@@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852790821 588701924 /nfs/dbraw/zinc/70/19/24/588701924.db2.gz TZEWETFXMMGAHJ-SFYZADRCSA-N 1 3 226.280 -1.090 20 0 BAADHO C[NH2+][C@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852790823 588701951 /nfs/dbraw/zinc/70/19/51/588701951.db2.gz TZEWETFXMMGAHJ-YUMQZZPRSA-N 1 3 226.280 -1.090 20 0 BAADHO NC[C@H]1CC(C(=O)N[C@@H]2CCC[NH2+]C2)=NO1 ZINC000852791540 588702922 /nfs/dbraw/zinc/70/29/22/588702922.db2.gz IZUUKVOLSFOJQI-HTQZYQBOSA-N 1 3 226.280 -1.042 20 0 BAADHO NC[C@H]1CC(C(=O)N[C@H]2CCC[NH2+]C2)=NO1 ZINC000852791541 588702971 /nfs/dbraw/zinc/70/29/71/588702971.db2.gz IZUUKVOLSFOJQI-JGVFFNPUSA-N 1 3 226.280 -1.042 20 0 BAADHO NC[C@@H]1CC(C(=O)N[C@@H]2CCC[NH2+]C2)=NO1 ZINC000852791542 588703016 /nfs/dbraw/zinc/70/30/16/588703016.db2.gz IZUUKVOLSFOJQI-SFYZADRCSA-N 1 3 226.280 -1.042 20 0 BAADHO NC[C@@H]1CC(C(=O)N[C@H]2CCC[NH2+]C2)=NO1 ZINC000852791543 588703053 /nfs/dbraw/zinc/70/30/53/588703053.db2.gz IZUUKVOLSFOJQI-YUMQZZPRSA-N 1 3 226.280 -1.042 20 0 BAADHO NC[C@@H]1CC(C(=O)N[C@H]2CC[NH2+]C2)=NO1 ZINC000852793040 588701857 /nfs/dbraw/zinc/70/18/57/588701857.db2.gz NOCYAOBDXYDPSW-BQBZGAKWSA-N 1 3 212.253 -1.432 20 0 BAADHO NC[C@H]1CC(C(=O)N[C@H]2CC[NH2+]C2)=NO1 ZINC000852793041 588701870 /nfs/dbraw/zinc/70/18/70/588701870.db2.gz NOCYAOBDXYDPSW-NKWVEPMBSA-N 1 3 212.253 -1.432 20 0 BAADHO NC[C@H]1CC(C(=O)N[C@@H]2CC[NH2+]C2)=NO1 ZINC000852793042 588701841 /nfs/dbraw/zinc/70/18/41/588701841.db2.gz NOCYAOBDXYDPSW-RNFRBKRXSA-N 1 3 212.253 -1.432 20 0 BAADHO NC[C@@H]1CC(C(=O)N[C@@H]2CC[NH2+]C2)=NO1 ZINC000852793043 588702044 /nfs/dbraw/zinc/70/20/44/588702044.db2.gz NOCYAOBDXYDPSW-RQJHMYQMSA-N 1 3 212.253 -1.432 20 0 BAADHO C[NH2+]CCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852793245 588702938 /nfs/dbraw/zinc/70/29/38/588702938.db2.gz VQEMERHPCPOGAN-SSDOTTSWSA-N 1 3 214.269 -1.184 20 0 BAADHO C[NH2+]CCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852793246 588702880 /nfs/dbraw/zinc/70/28/80/588702880.db2.gz VQEMERHPCPOGAN-ZETCQYMHSA-N 1 3 214.269 -1.184 20 0 BAADHO NC[C@@H]1CC(C(=O)N2CC[C@H]([NH3+])C2)=NO1 ZINC000852793713 588703308 /nfs/dbraw/zinc/70/33/08/588703308.db2.gz DPNJMDRBBZFRQQ-BQBZGAKWSA-N 1 3 212.253 -1.350 20 0 BAADHO NC[C@H]1CC(C(=O)N2CC[C@H]([NH3+])C2)=NO1 ZINC000852793714 588703341 /nfs/dbraw/zinc/70/33/41/588703341.db2.gz DPNJMDRBBZFRQQ-NKWVEPMBSA-N 1 3 212.253 -1.350 20 0 BAADHO C[C@H]([NH3+])CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852795022 588703405 /nfs/dbraw/zinc/70/34/05/588703405.db2.gz UBGHZLAZHWLFBN-BQBZGAKWSA-N 1 3 214.269 -1.057 20 0 BAADHO C[C@H]([NH3+])CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852795030 588703500 /nfs/dbraw/zinc/70/35/00/588703500.db2.gz UBGHZLAZHWLFBN-NKWVEPMBSA-N 1 3 214.269 -1.057 20 0 BAADHO NC[C@H]1CC(C(=O)NCC[NH2+]C2CC2)=NO1 ZINC000852795686 588703358 /nfs/dbraw/zinc/70/33/58/588703358.db2.gz ITNHHFPLVRZVBF-MRVPVSSYSA-N 1 3 226.280 -1.042 20 0 BAADHO NC[C@@H]1CC(C(=O)NCC[NH2+]C2CC2)=NO1 ZINC000852795687 588703413 /nfs/dbraw/zinc/70/34/13/588703413.db2.gz ITNHHFPLVRZVBF-QMMMGPOBSA-N 1 3 226.280 -1.042 20 0 BAADHO CC(C)(C[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852795731 588703354 /nfs/dbraw/zinc/70/33/54/588703354.db2.gz JOABQHFJMSNLHZ-LURJTMIESA-N 1 3 214.269 -1.057 20 0 BAADHO CC(C)(C[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852795732 588703567 /nfs/dbraw/zinc/70/35/67/588703567.db2.gz JOABQHFJMSNLHZ-ZCFIWIBFSA-N 1 3 214.269 -1.057 20 0 BAADHO C[NH2+]CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852795921 588703483 /nfs/dbraw/zinc/70/34/83/588703483.db2.gz LJLOBPBRBDILNV-LURJTMIESA-N 1 3 200.242 -1.574 20 0 BAADHO C[NH2+]CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852795922 588703427 /nfs/dbraw/zinc/70/34/27/588703427.db2.gz LJLOBPBRBDILNV-ZCFIWIBFSA-N 1 3 200.242 -1.574 20 0 BAADHO NC[C@H]1CC(C(=O)NC[C@H]2CCC[NH2+]2)=NO1 ZINC000852796060 588703467 /nfs/dbraw/zinc/70/34/67/588703467.db2.gz MOVIKJHRDLBCBH-HTQZYQBOSA-N 1 3 226.280 -1.042 20 0 BAADHO NC[C@H]1CC(C(=O)NC[C@@H]2CCC[NH2+]2)=NO1 ZINC000852796061 588703604 /nfs/dbraw/zinc/70/36/04/588703604.db2.gz MOVIKJHRDLBCBH-JGVFFNPUSA-N 1 3 226.280 -1.042 20 0 BAADHO NC[C@@H]1CC(C(=O)NC[C@H]2CCC[NH2+]2)=NO1 ZINC000852796062 588703366 /nfs/dbraw/zinc/70/33/66/588703366.db2.gz MOVIKJHRDLBCBH-SFYZADRCSA-N 1 3 226.280 -1.042 20 0 BAADHO NC[C@@H]1CC(C(=O)NC[C@@H]2CCC[NH2+]2)=NO1 ZINC000852796063 588703438 /nfs/dbraw/zinc/70/34/38/588703438.db2.gz MOVIKJHRDLBCBH-YUMQZZPRSA-N 1 3 226.280 -1.042 20 0 BAADHO CC[NH2+]CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852796111 588703429 /nfs/dbraw/zinc/70/34/29/588703429.db2.gz NSUQLBMPIFWWGN-SSDOTTSWSA-N 1 3 214.269 -1.184 20 0 BAADHO CC[NH2+]CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852796112 588703520 /nfs/dbraw/zinc/70/35/20/588703520.db2.gz NSUQLBMPIFWWGN-ZETCQYMHSA-N 1 3 214.269 -1.184 20 0 BAADHO C[C@@H](C[NH3+])N(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852796503 588703503 /nfs/dbraw/zinc/70/35/03/588703503.db2.gz DKISFVHWIRKKQX-BQBZGAKWSA-N 1 3 214.269 -1.104 20 0 BAADHO C[C@@H](C[NH3+])N(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852796507 588703390 /nfs/dbraw/zinc/70/33/90/588703390.db2.gz DKISFVHWIRKKQX-NKWVEPMBSA-N 1 3 214.269 -1.104 20 0 BAADHO C[C@H](C[NH3+])N(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852796508 588703490 /nfs/dbraw/zinc/70/34/90/588703490.db2.gz DKISFVHWIRKKQX-RNFRBKRXSA-N 1 3 214.269 -1.104 20 0 BAADHO C[C@H](C[NH3+])N(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852796509 588703388 /nfs/dbraw/zinc/70/33/88/588703388.db2.gz DKISFVHWIRKKQX-RQJHMYQMSA-N 1 3 214.269 -1.104 20 0 BAADHO CN(C(=O)C1=NO[C@@H](CN)C1)[C@@H]1CC[NH2+]C1 ZINC000852797178 588703762 /nfs/dbraw/zinc/70/37/62/588703762.db2.gz MPOZUJNJOSRZLJ-HTQZYQBOSA-N 1 3 226.280 -1.090 20 0 BAADHO CN(C(=O)C1=NO[C@@H](CN)C1)[C@H]1CC[NH2+]C1 ZINC000852797180 588703781 /nfs/dbraw/zinc/70/37/81/588703781.db2.gz MPOZUJNJOSRZLJ-JGVFFNPUSA-N 1 3 226.280 -1.090 20 0 BAADHO CN(C(=O)C1=NO[C@H](CN)C1)[C@@H]1CC[NH2+]C1 ZINC000852797182 588703613 /nfs/dbraw/zinc/70/36/13/588703613.db2.gz MPOZUJNJOSRZLJ-SFYZADRCSA-N 1 3 226.280 -1.090 20 0 BAADHO CN(C(=O)C1=NO[C@H](CN)C1)[C@H]1CC[NH2+]C1 ZINC000852797184 588703672 /nfs/dbraw/zinc/70/36/72/588703672.db2.gz MPOZUJNJOSRZLJ-YUMQZZPRSA-N 1 3 226.280 -1.090 20 0 BAADHO NC[C@H]1CC(C(=O)N[C@@H](C[NH3+])C2CC2)=NO1 ZINC000852797994 588703724 /nfs/dbraw/zinc/70/37/24/588703724.db2.gz FDMKRSXUZCNABD-APPZFPTMSA-N 1 3 226.280 -1.057 20 0 BAADHO NC[C@@H]1CC(C(=O)N[C@@H](C[NH3+])C2CC2)=NO1 ZINC000852797996 588703689 /nfs/dbraw/zinc/70/36/89/588703689.db2.gz FDMKRSXUZCNABD-CBAPKCEASA-N 1 3 226.280 -1.057 20 0 BAADHO NC[C@@H]1CC(C(=O)N[C@H](C[NH3+])C2CC2)=NO1 ZINC000852797998 588703801 /nfs/dbraw/zinc/70/38/01/588703801.db2.gz FDMKRSXUZCNABD-IONNQARKSA-N 1 3 226.280 -1.057 20 0 BAADHO NC[C@H]1CC(C(=O)N[C@H](C[NH3+])C2CC2)=NO1 ZINC000852798000 588703839 /nfs/dbraw/zinc/70/38/39/588703839.db2.gz FDMKRSXUZCNABD-VXNVDRBHSA-N 1 3 226.280 -1.057 20 0 BAADHO CN(CCC[NH3+])C(=O)C1=NO[C@@H](CN)C1 ZINC000852798020 588703785 /nfs/dbraw/zinc/70/37/85/588703785.db2.gz FOHWQHJOTJZWPU-SSDOTTSWSA-N 1 3 214.269 -1.103 20 0 BAADHO CN(CCC[NH3+])C(=O)C1=NO[C@H](CN)C1 ZINC000852798026 588703734 /nfs/dbraw/zinc/70/37/34/588703734.db2.gz FOHWQHJOTJZWPU-ZETCQYMHSA-N 1 3 214.269 -1.103 20 0 BAADHO CC(C)([NH3+])CNC(=O)C1=NO[C@H](CN)C1 ZINC000852798603 588703941 /nfs/dbraw/zinc/70/39/41/588703941.db2.gz MJIMLQFSPZEEEX-LURJTMIESA-N 1 3 214.269 -1.057 20 0 BAADHO CC(C)([NH3+])CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852798604 588703934 /nfs/dbraw/zinc/70/39/34/588703934.db2.gz MJIMLQFSPZEEEX-ZCFIWIBFSA-N 1 3 214.269 -1.057 20 0 BAADHO C[NH2+]CCN(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852873643 588709879 /nfs/dbraw/zinc/70/98/79/588709879.db2.gz BEGPGWZXSJSAMP-SSDOTTSWSA-N 1 3 214.269 -1.232 20 0 BAADHO C[NH2+]CCN(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852873644 588709870 /nfs/dbraw/zinc/70/98/70/588709870.db2.gz BEGPGWZXSJSAMP-ZETCQYMHSA-N 1 3 214.269 -1.232 20 0 BAADHO NC[C@H]1CC(C(=O)NC[C@@H]([NH3+])C2CC2)=NO1 ZINC000852873867 588709834 /nfs/dbraw/zinc/70/98/34/588709834.db2.gz GMRHXVFWNPCLAH-HTQZYQBOSA-N 1 3 226.280 -1.057 20 0 BAADHO NC[C@@H]1CC(C(=O)NC[C@@H]([NH3+])C2CC2)=NO1 ZINC000852873868 588709867 /nfs/dbraw/zinc/70/98/67/588709867.db2.gz GMRHXVFWNPCLAH-JGVFFNPUSA-N 1 3 226.280 -1.057 20 0 BAADHO NC[C@H]1CC(C(=O)NC[C@H]([NH3+])C2CC2)=NO1 ZINC000852873869 588709838 /nfs/dbraw/zinc/70/98/38/588709838.db2.gz GMRHXVFWNPCLAH-SFYZADRCSA-N 1 3 226.280 -1.057 20 0 BAADHO NC[C@@H]1CC(C(=O)NC[C@H]([NH3+])C2CC2)=NO1 ZINC000852873870 588709795 /nfs/dbraw/zinc/70/97/95/588709795.db2.gz GMRHXVFWNPCLAH-YUMQZZPRSA-N 1 3 226.280 -1.057 20 0 BAADHO COCC[NH2+]CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852874180 588709732 /nfs/dbraw/zinc/70/97/32/588709732.db2.gz MATTUZQZXQPNSL-MRVPVSSYSA-N 1 3 244.295 -1.558 20 0 BAADHO COCC[NH2+]CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852874181 588709959 /nfs/dbraw/zinc/70/99/59/588709959.db2.gz MATTUZQZXQPNSL-QMMMGPOBSA-N 1 3 244.295 -1.558 20 0 BAADHO C[C@@H](CC[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852874283 588709721 /nfs/dbraw/zinc/70/97/21/588709721.db2.gz JUMFGSWNRMETHQ-BQBZGAKWSA-N 1 3 214.269 -1.057 20 0 BAADHO C[C@@H](CC[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852874284 588709875 /nfs/dbraw/zinc/70/98/75/588709875.db2.gz JUMFGSWNRMETHQ-NKWVEPMBSA-N 1 3 214.269 -1.057 20 0 BAADHO C[C@H](CC[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852874285 588709129 /nfs/dbraw/zinc/70/91/29/588709129.db2.gz JUMFGSWNRMETHQ-RNFRBKRXSA-N 1 3 214.269 -1.057 20 0 BAADHO C[C@H](CC[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852874286 588709194 /nfs/dbraw/zinc/70/91/94/588709194.db2.gz JUMFGSWNRMETHQ-RQJHMYQMSA-N 1 3 214.269 -1.057 20 0 BAADHO C[C@@H](C[NH3+])CNC(=O)C1=NO[C@H](CN)C1 ZINC000852874319 588709935 /nfs/dbraw/zinc/70/99/35/588709935.db2.gz OEJOMCMAQYUDSM-BQBZGAKWSA-N 1 3 214.269 -1.199 20 0 BAADHO C[C@@H](C[NH3+])CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852874322 588709894 /nfs/dbraw/zinc/70/98/94/588709894.db2.gz OEJOMCMAQYUDSM-NKWVEPMBSA-N 1 3 214.269 -1.199 20 0 BAADHO C[C@H](C[NH3+])CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852874324 588709275 /nfs/dbraw/zinc/70/92/75/588709275.db2.gz OEJOMCMAQYUDSM-RNFRBKRXSA-N 1 3 214.269 -1.199 20 0 BAADHO C[C@H](C[NH3+])CNC(=O)C1=NO[C@H](CN)C1 ZINC000852874325 588709321 /nfs/dbraw/zinc/70/93/21/588709321.db2.gz OEJOMCMAQYUDSM-RQJHMYQMSA-N 1 3 214.269 -1.199 20 0 BAADHO C[C@H](C[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852876530 588710379 /nfs/dbraw/zinc/71/03/79/588710379.db2.gz LBMCXFUJJCLVBT-PHDIDXHHSA-N 1 3 200.242 -1.447 20 0 BAADHO C[C@H](C[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852876531 588710346 /nfs/dbraw/zinc/71/03/46/588710346.db2.gz LBMCXFUJJCLVBT-RITPCOANSA-N 1 3 200.242 -1.447 20 0 BAADHO NC[C@H]1CC(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)=NO1 ZINC000852877234 588710304 /nfs/dbraw/zinc/71/03/04/588710304.db2.gz DCGSNMNTFLZSGK-HRDYMLBCSA-N 1 3 238.291 -1.232 20 0 BAADHO NC[C@@H]1CC(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)=NO1 ZINC000852877235 588710531 /nfs/dbraw/zinc/71/05/31/588710531.db2.gz DCGSNMNTFLZSGK-YIZRAAEISA-N 1 3 238.291 -1.232 20 0 BAADHO C[C@H]([NH3+])CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852878000 588710533 /nfs/dbraw/zinc/71/05/33/588710533.db2.gz KZQSGFFYRUMGSX-NTSWFWBYSA-N 1 3 200.242 -1.447 20 0 BAADHO C[C@@H]([NH3+])CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852878001 588710411 /nfs/dbraw/zinc/71/04/11/588710411.db2.gz KZQSGFFYRUMGSX-PHDIDXHHSA-N 1 3 200.242 -1.447 20 0 BAADHO C[C@@H]([NH3+])CNC(=O)C1=NO[C@H](CN)C1 ZINC000852878002 588710293 /nfs/dbraw/zinc/71/02/93/588710293.db2.gz KZQSGFFYRUMGSX-RITPCOANSA-N 1 3 200.242 -1.447 20 0 BAADHO C[C@H]([NH3+])CNC(=O)C1=NO[C@H](CN)C1 ZINC000852878003 588710473 /nfs/dbraw/zinc/71/04/73/588710473.db2.gz KZQSGFFYRUMGSX-WDSKDSINSA-N 1 3 200.242 -1.447 20 0 BAADHO C[C@H]([NH3+])[C@H](C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852880669 588711081 /nfs/dbraw/zinc/71/10/81/588711081.db2.gz DBJZEDUKTKKHSW-ACZMJKKPSA-N 1 3 214.269 -1.058 20 0 BAADHO C[C@H]([NH3+])[C@H](C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852880674 588710854 /nfs/dbraw/zinc/71/08/54/588710854.db2.gz DBJZEDUKTKKHSW-LYFYHCNISA-N 1 3 214.269 -1.058 20 0 BAADHO C[C@@H](NC(=O)C1=NO[C@@H](CN)C1)[C@H](C)[NH3+] ZINC000852880677 588710975 /nfs/dbraw/zinc/71/09/75/588710975.db2.gz DBJZEDUKTKKHSW-RRKCRQDMSA-N 1 3 214.269 -1.058 20 0 BAADHO C[C@@H](NC(=O)C1=NO[C@H](CN)C1)[C@H](C)[NH3+] ZINC000852880679 588710943 /nfs/dbraw/zinc/71/09/43/588710943.db2.gz DBJZEDUKTKKHSW-XVMARJQXSA-N 1 3 214.269 -1.058 20 0 BAADHO NC[C@H]1CC(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)=NO1 ZINC000852880861 588711088 /nfs/dbraw/zinc/71/10/88/588711088.db2.gz FAFIVLDOHIWKLM-BIIVOSGPSA-N 1 3 244.270 -1.094 20 0 BAADHO NC[C@@H]1CC(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)=NO1 ZINC000852880862 588710897 /nfs/dbraw/zinc/71/08/97/588710897.db2.gz FAFIVLDOHIWKLM-FXQIFTODSA-N 1 3 244.270 -1.094 20 0 BAADHO CC[C@H]([NH3+])CNC(=O)C1=NO[C@H](CN)C1 ZINC000852880870 588711033 /nfs/dbraw/zinc/71/10/33/588711033.db2.gz FCHUAADJXPJNMU-BQBZGAKWSA-N 1 3 214.269 -1.057 20 0 BAADHO CC[C@H]([NH3+])CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852880871 588710868 /nfs/dbraw/zinc/71/08/68/588710868.db2.gz FCHUAADJXPJNMU-NKWVEPMBSA-N 1 3 214.269 -1.057 20 0 BAADHO CC[C@@H]([NH3+])CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852880872 588711024 /nfs/dbraw/zinc/71/10/24/588711024.db2.gz FCHUAADJXPJNMU-RNFRBKRXSA-N 1 3 214.269 -1.057 20 0 BAADHO CC[C@@H]([NH3+])CNC(=O)C1=NO[C@H](CN)C1 ZINC000852880873 588710945 /nfs/dbraw/zinc/71/09/45/588710945.db2.gz FCHUAADJXPJNMU-RQJHMYQMSA-N 1 3 214.269 -1.057 20 0 BAADHO NC[C@H]1CC(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)=NO1 ZINC000852881425 588710887 /nfs/dbraw/zinc/71/08/87/588710887.db2.gz KWPSQCDGWPYPPO-JAKMQLQISA-N 1 3 224.264 -1.576 20 0 BAADHO NC[C@@H]1CC(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)=NO1 ZINC000852881426 588711018 /nfs/dbraw/zinc/71/10/18/588711018.db2.gz KWPSQCDGWPYPPO-XZMZPDFPSA-N 1 3 224.264 -1.576 20 0 BAADHO C[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)C[C@H]1[NH3+] ZINC000852889460 588711630 /nfs/dbraw/zinc/71/16/30/588711630.db2.gz DJKOOXUTJFDQSJ-BWZBUEFSSA-N 1 3 226.280 -1.104 20 0 BAADHO C[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)C[C@H]1[NH3+] ZINC000852889462 588711582 /nfs/dbraw/zinc/71/15/82/588711582.db2.gz DJKOOXUTJFDQSJ-GJMOJQLCSA-N 1 3 226.280 -1.104 20 0 BAADHO NC[C@H]1CC(C(=O)NCC23CC(C2)C[NH2+]3)=NO1 ZINC000852915415 588713240 /nfs/dbraw/zinc/71/32/40/588713240.db2.gz FJUFAKPPQHIDEG-JKDSDDBFSA-N 1 3 238.291 -1.042 20 0 BAADHO NC[C@@H]1CC(C(=O)NCC23CC(C2)C[NH2+]3)=NO1 ZINC000852915416 588713079 /nfs/dbraw/zinc/71/30/79/588713079.db2.gz FJUFAKPPQHIDEG-KAIZJQOQSA-N 1 3 238.291 -1.042 20 0 BAADHO N[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[C@H]1F ZINC000852918607 588713457 /nfs/dbraw/zinc/71/34/57/588713457.db2.gz FUJIYJWZHMRUHD-BWZBUEFSSA-N 1 3 244.270 -1.012 20 0 BAADHO N[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[C@H]1F ZINC000852918608 588713317 /nfs/dbraw/zinc/71/33/17/588713317.db2.gz FUJIYJWZHMRUHD-XLPZGREQSA-N 1 3 244.270 -1.012 20 0 BAADHO C[NH2+]C[C@H](C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852923328 588713339 /nfs/dbraw/zinc/71/33/39/588713339.db2.gz CPFKWDUKKOLXAB-BQBZGAKWSA-N 1 3 214.269 -1.186 20 0 BAADHO C[NH2+]C[C@H](C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852923330 588713412 /nfs/dbraw/zinc/71/34/12/588713412.db2.gz CPFKWDUKKOLXAB-NKWVEPMBSA-N 1 3 214.269 -1.186 20 0 BAADHO C[NH2+]C[C@@H](C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852923332 588713445 /nfs/dbraw/zinc/71/34/45/588713445.db2.gz CPFKWDUKKOLXAB-RNFRBKRXSA-N 1 3 214.269 -1.186 20 0 BAADHO C[NH2+]C[C@@H](C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852923333 588713419 /nfs/dbraw/zinc/71/34/19/588713419.db2.gz CPFKWDUKKOLXAB-RQJHMYQMSA-N 1 3 214.269 -1.186 20 0 BAADHO C[C@@]1(NC(=O)C2=NO[C@@H](CN)C2)CC[NH2+]C1 ZINC000852930667 588713982 /nfs/dbraw/zinc/71/39/82/588713982.db2.gz MFAZIYMQGQQLBE-GMSGAONNSA-N 1 3 226.280 -1.042 20 0 BAADHO C[C@@]1(NC(=O)C2=NO[C@H](CN)C2)CC[NH2+]C1 ZINC000852930668 588714027 /nfs/dbraw/zinc/71/40/27/588714027.db2.gz MFAZIYMQGQQLBE-OIBJUYFYSA-N 1 3 226.280 -1.042 20 0 BAADHO C[C@]1(NC(=O)C2=NO[C@@H](CN)C2)CC[NH2+]C1 ZINC000852930669 588714018 /nfs/dbraw/zinc/71/40/18/588714018.db2.gz MFAZIYMQGQQLBE-XCBNKYQSSA-N 1 3 226.280 -1.042 20 0 BAADHO C[C@]1(NC(=O)C2=NO[C@H](CN)C2)CC[NH2+]C1 ZINC000852930670 588713954 /nfs/dbraw/zinc/71/39/54/588713954.db2.gz MFAZIYMQGQQLBE-XVKPBYJWSA-N 1 3 226.280 -1.042 20 0 BAADHO O=C(N1CCOC2(CNC2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000852997429 588715069 /nfs/dbraw/zinc/71/50/69/588715069.db2.gz CTQFKYZTIFFVQO-LLVKDONJSA-N 1 3 243.282 -1.111 20 0 BAADHO O=C(N1CCOC2(CNC2)C1)[C@]1(F)CC[NH2+]C1 ZINC000852997430 588715048 /nfs/dbraw/zinc/71/50/48/588715048.db2.gz CTQFKYZTIFFVQO-NSHDSACASA-N 1 3 243.282 -1.111 20 0 BAADHO C[NH+](C)C[C@H](O)CNc1nc(N)nc(N)n1 ZINC000858343676 588947746 /nfs/dbraw/zinc/94/77/46/588947746.db2.gz KIDVMUNBGBAVFY-RXMQYKEDSA-N 1 3 227.272 -1.630 20 0 BAADHO C[NH+](C)C[C@@H](O)CNc1nc(N)nc(N)n1 ZINC000858343715 588947495 /nfs/dbraw/zinc/94/74/95/588947495.db2.gz KIDVMUNBGBAVFY-YFKPBYRVSA-N 1 3 227.272 -1.630 20 0 BAADHO C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1CNCCO1 ZINC000861645740 589172867 /nfs/dbraw/zinc/17/28/67/589172867.db2.gz JSJFPHMKKTYMGF-BDAKNGLRSA-N 1 3 230.312 -1.037 20 0 BAADHO C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1CNCCO1 ZINC000861645741 589173060 /nfs/dbraw/zinc/17/30/60/589173060.db2.gz JSJFPHMKKTYMGF-DTWKUNHWSA-N 1 3 230.312 -1.037 20 0 BAADHO C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1CNCCO1 ZINC000861645743 589172861 /nfs/dbraw/zinc/17/28/61/589172861.db2.gz JSJFPHMKKTYMGF-IUCAKERBSA-N 1 3 230.312 -1.037 20 0 BAADHO C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]1CNCCO1 ZINC000861645744 589172908 /nfs/dbraw/zinc/17/29/08/589172908.db2.gz JSJFPHMKKTYMGF-RKDXNWHRSA-N 1 3 230.312 -1.037 20 0 BAADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCN(C)C ZINC000863753014 589314305 /nfs/dbraw/zinc/31/43/05/589314305.db2.gz LDMKZRNOVSHZNV-SECBINFHSA-N 1 3 244.339 -1.188 20 0 BAADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCN(C)C ZINC000863753015 589314433 /nfs/dbraw/zinc/31/44/33/589314433.db2.gz LDMKZRNOVSHZNV-VIFPVBQESA-N 1 3 244.339 -1.188 20 0 BAADHO C[NH2+]CCOCCN(C)CCc1nnnn1C ZINC000866669421 589510246 /nfs/dbraw/zinc/51/02/46/589510246.db2.gz ZRSVBSMVNHZSHB-UHFFFAOYSA-N 1 3 242.327 -1.080 20 0 BAADHO CN1C(=O)[C@H]2CN(CCOCC[NH3+])C[C@H]2C1=O ZINC000866701103 589512881 /nfs/dbraw/zinc/51/28/81/589512881.db2.gz GAFXISMGUOFHQI-DTORHVGOSA-N 1 3 241.291 -1.492 20 0 BAADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000876500572 590203026 /nfs/dbraw/zinc/20/30/26/590203026.db2.gz IJGXPBNYEZKAKE-BDAKNGLRSA-N 1 3 214.313 -1.175 20 0 BAADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876504846 590204045 /nfs/dbraw/zinc/20/40/45/590204045.db2.gz YUJAZZLHUPBQRY-BDAKNGLRSA-N 1 3 214.313 -1.304 20 0 BAADHO C[NH2+][C@H]1CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876504847 590204061 /nfs/dbraw/zinc/20/40/61/590204061.db2.gz YUJAZZLHUPBQRY-IUCAKERBSA-N 1 3 214.313 -1.304 20 0 BAADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000876508349 590205093 /nfs/dbraw/zinc/20/50/93/590205093.db2.gz LWZBKYHTWKUKDK-BDAKNGLRSA-N 1 3 214.313 -1.257 20 0 BAADHO CN(C)C[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000876508350 590201465 /nfs/dbraw/zinc/20/14/65/590201465.db2.gz LWZBKYHTWKUKDK-IUCAKERBSA-N 1 3 214.313 -1.257 20 0 BAADHO CC[NH2+]CCCNC(=O)[C@@H](N)CN(C)C ZINC000876509960 590205439 /nfs/dbraw/zinc/20/54/39/590205439.db2.gz OVRXKFGYWMNZTP-VIFPVBQESA-N 1 3 216.329 -1.009 20 0 BAADHO C[C@@H]1CNCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876515349 590206392 /nfs/dbraw/zinc/20/63/92/590206392.db2.gz PTNGQMNGCXHQTI-BDAKNGLRSA-N 1 3 214.313 -1.304 20 0 BAADHO C[C@H]1CNCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876515350 590206373 /nfs/dbraw/zinc/20/63/73/590206373.db2.gz PTNGQMNGCXHQTI-IUCAKERBSA-N 1 3 214.313 -1.304 20 0 BAADHO CC[NH2+]CCNC(=O)[C@@H](N)CN(C)C ZINC000876521650 590207356 /nfs/dbraw/zinc/20/73/56/590207356.db2.gz SLIBVUIHUDHOEG-QMMMGPOBSA-N 1 3 202.302 -1.399 20 0 BAADHO CN(C)C[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000876522010 590207352 /nfs/dbraw/zinc/20/73/52/590207352.db2.gz DXHXYLYTLDLMMZ-BDAKNGLRSA-N 1 3 214.313 -1.257 20 0 BAADHO CN(C)C[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000876522011 590207254 /nfs/dbraw/zinc/20/72/54/590207254.db2.gz DXHXYLYTLDLMMZ-IUCAKERBSA-N 1 3 214.313 -1.257 20 0 BAADHO CN(C)C[C@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000876522157 590207576 /nfs/dbraw/zinc/20/75/76/590207576.db2.gz JFYXIIAZRZZDMB-VIFPVBQESA-N 1 3 214.313 -1.257 20 0 BAADHO CN(C)C[C@H](N)C(=O)NC(C)(C)C[NH3+] ZINC000876524541 590208441 /nfs/dbraw/zinc/20/84/41/590208441.db2.gz TXLOGQJRLAFRHG-ZETCQYMHSA-N 1 3 202.302 -1.271 20 0 BAADHO CN(C)C[C@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000876527838 590209139 /nfs/dbraw/zinc/20/91/39/590209139.db2.gz GCLQWOBRJLSUMM-BDAKNGLRSA-N 1 3 214.313 -1.304 20 0 BAADHO CN(C)C[C@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000876527840 590209041 /nfs/dbraw/zinc/20/90/41/590209041.db2.gz GCLQWOBRJLSUMM-IUCAKERBSA-N 1 3 214.313 -1.304 20 0 BAADHO C[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CCN1 ZINC000876530816 590210435 /nfs/dbraw/zinc/21/04/35/590210435.db2.gz VMLYQTVZPZYQFH-BDAKNGLRSA-N 1 3 214.313 -1.304 20 0 BAADHO C[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CCN1 ZINC000876530817 590210294 /nfs/dbraw/zinc/21/02/94/590210294.db2.gz VMLYQTVZPZYQFH-IUCAKERBSA-N 1 3 214.313 -1.304 20 0 BAADHO C[C@H](C[NH3+])N(C)C(=O)[C@@H](N)CN(C)C ZINC000876532203 590210229 /nfs/dbraw/zinc/21/02/29/590210229.db2.gz ZIEJODOOWXJZSC-SFYZADRCSA-N 1 3 202.302 -1.319 20 0 BAADHO C[C@@H](C[NH3+])N(C)C(=O)[C@@H](N)CN(C)C ZINC000876532204 590210461 /nfs/dbraw/zinc/21/04/61/590210461.db2.gz ZIEJODOOWXJZSC-YUMQZZPRSA-N 1 3 202.302 -1.319 20 0 BAADHO CN(C)C[C@H](N)C(=O)N(C)CCC[NH3+] ZINC000876536340 590211308 /nfs/dbraw/zinc/21/13/08/590211308.db2.gz YKYBNGALMBOJDV-QMMMGPOBSA-N 1 3 202.302 -1.318 20 0 BAADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H](N)CN(C)C ZINC000876536701 590211224 /nfs/dbraw/zinc/21/12/24/590211224.db2.gz RNMRZQLLLFHUTO-BDAKNGLRSA-N 1 3 216.329 -1.025 20 0 BAADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](N)CN(C)C ZINC000876536702 590211192 /nfs/dbraw/zinc/21/11/92/590211192.db2.gz RNMRZQLLLFHUTO-IUCAKERBSA-N 1 3 216.329 -1.025 20 0 BAADHO CN(C)C[C@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000876537439 590211734 /nfs/dbraw/zinc/21/17/34/590211734.db2.gz RBGFMMYVADVFTQ-DTWKUNHWSA-N 1 3 214.313 -1.271 20 0 BAADHO CN(C)C[C@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000876537440 590211793 /nfs/dbraw/zinc/21/17/93/590211793.db2.gz RBGFMMYVADVFTQ-IUCAKERBSA-N 1 3 214.313 -1.271 20 0 BAADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000876538052 590211906 /nfs/dbraw/zinc/21/19/06/590211906.db2.gz BQUIEKPRDWJGOA-BDAKNGLRSA-N 1 3 214.313 -1.175 20 0 BAADHO CN(C)C[C@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000876538406 590211616 /nfs/dbraw/zinc/21/16/16/590211616.db2.gz IHDFWOFACUCQGP-ZETCQYMHSA-N 1 3 202.302 -1.271 20 0 BAADHO CN(C)C[C@H](N)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000876541799 590212813 /nfs/dbraw/zinc/21/28/13/590212813.db2.gz FOYPLHYDVZYTNX-UWVGGRQHSA-N 1 3 243.355 -2.023 20 0 BAADHO CN(C)C[C@H](N)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000876541800 590212849 /nfs/dbraw/zinc/21/28/49/590212849.db2.gz FOYPLHYDVZYTNX-ZJUUUORDSA-N 1 3 243.355 -2.023 20 0 BAADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](N)CN(C)C)CCO1 ZINC000876543665 590212501 /nfs/dbraw/zinc/21/25/01/590212501.db2.gz MRCZJVNIZHWFGX-GUBZILKMSA-N 1 3 244.339 -1.550 20 0 BAADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H](N)CN(C)C)CCO1 ZINC000876543666 590212628 /nfs/dbraw/zinc/21/26/28/590212628.db2.gz MRCZJVNIZHWFGX-KXUCPTDWSA-N 1 3 244.339 -1.550 20 0 BAADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H](N)CN(C)C)CCO1 ZINC000876543667 590212568 /nfs/dbraw/zinc/21/25/68/590212568.db2.gz MRCZJVNIZHWFGX-LPEHRKFASA-N 1 3 244.339 -1.550 20 0 BAADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](N)CN(C)C)CCO1 ZINC000876543668 584886078 /nfs/dbraw/zinc/88/60/78/584886078.db2.gz MRCZJVNIZHWFGX-UTLUCORTSA-N 1 3 244.339 -1.550 20 0 BAADHO C[C@H](C[NH3+])CNC(=O)[C@@H](N)CN(C)C ZINC000876788301 590240842 /nfs/dbraw/zinc/24/08/42/590240842.db2.gz ZNKAKIKIRGFYPM-SFYZADRCSA-N 1 3 202.302 -1.414 20 0 BAADHO C[C@@H](C[NH3+])CNC(=O)[C@@H](N)CN(C)C ZINC000876788318 590238498 /nfs/dbraw/zinc/23/84/98/590238498.db2.gz ZNKAKIKIRGFYPM-YUMQZZPRSA-N 1 3 202.302 -1.414 20 0 BAADHO CN(C)C[C@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000876790915 590241217 /nfs/dbraw/zinc/24/12/17/590241217.db2.gz GHEKNCOVHCPYQW-BDAKNGLRSA-N 1 3 214.313 -1.271 20 0 BAADHO CN(C)C[C@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000876790916 590241287 /nfs/dbraw/zinc/24/12/87/590241287.db2.gz GHEKNCOVHCPYQW-IUCAKERBSA-N 1 3 214.313 -1.271 20 0 BAADHO COCC[NH2+]CCNC(=O)[C@@H](N)CN(C)C ZINC000876791680 590242074 /nfs/dbraw/zinc/24/20/74/590242074.db2.gz HSGBBDXSCRCHGZ-VIFPVBQESA-N 1 3 232.328 -1.773 20 0 BAADHO CN(C)C[C@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000876798999 590242434 /nfs/dbraw/zinc/24/24/34/590242434.db2.gz VEVGXAWSONFLFR-QMMMGPOBSA-N 1 3 214.313 -1.127 20 0 BAADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876812334 590245353 /nfs/dbraw/zinc/24/53/53/590245353.db2.gz LDHSCPCXILJRQX-GUBZILKMSA-N 1 3 228.340 -1.011 20 0 BAADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876812335 590245332 /nfs/dbraw/zinc/24/53/32/590245332.db2.gz LDHSCPCXILJRQX-KXUCPTDWSA-N 1 3 228.340 -1.011 20 0 BAADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876812336 590245237 /nfs/dbraw/zinc/24/52/37/590245237.db2.gz LDHSCPCXILJRQX-LPEHRKFASA-N 1 3 228.340 -1.011 20 0 BAADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876812337 590245506 /nfs/dbraw/zinc/24/55/06/590245506.db2.gz LDHSCPCXILJRQX-UTLUCORTSA-N 1 3 228.340 -1.011 20 0 BAADHO C[C@@H](C[NH3+])NC(=O)CN1CCNCC1 ZINC000876830105 590247367 /nfs/dbraw/zinc/24/73/67/590247367.db2.gz ARGRFLYJOSIAAM-QMMMGPOBSA-N 1 3 200.286 -1.645 20 0 BAADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](N)CN(C)C ZINC000876836765 590248343 /nfs/dbraw/zinc/24/83/43/590248343.db2.gz JEYLUHQXSOJABP-BDAKNGLRSA-N 1 3 216.329 -1.011 20 0 BAADHO CN(C)C[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876838425 590248568 /nfs/dbraw/zinc/24/85/68/590248568.db2.gz QGMBUDALWXJRQC-AEJSXWLSSA-N 1 3 226.324 -1.447 20 0 BAADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H](N)CN(C)C ZINC000876850748 590249463 /nfs/dbraw/zinc/24/94/63/590249463.db2.gz BKDXLHQVJCUYOA-CIUDSAMLSA-N 1 3 214.313 -1.177 20 0 BAADHO CN(C)C[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000876856965 590250090 /nfs/dbraw/zinc/25/00/90/590250090.db2.gz WFSAIOMLXVBNAY-CIUDSAMLSA-N 1 3 232.303 -1.309 20 0 BAADHO C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000876860746 590250483 /nfs/dbraw/zinc/25/04/83/590250483.db2.gz IMYBMEKWAQDJIJ-CSMHCCOUSA-N 1 3 202.302 -1.273 20 0 BAADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000876860747 590250496 /nfs/dbraw/zinc/25/04/96/590250496.db2.gz IMYBMEKWAQDJIJ-FXQIFTODSA-N 1 3 202.302 -1.273 20 0 BAADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000876860748 590250628 /nfs/dbraw/zinc/25/06/28/590250628.db2.gz IMYBMEKWAQDJIJ-PRJMDXOYSA-N 1 3 202.302 -1.273 20 0 BAADHO C[C@@H](NC(=O)[C@@H](N)CN(C)C)[C@H](C)[NH3+] ZINC000876860749 590250646 /nfs/dbraw/zinc/25/06/46/590250646.db2.gz IMYBMEKWAQDJIJ-RNJXMRFFSA-N 1 3 202.302 -1.273 20 0 BAADHO CN(C)C[C@H](N)C(=O)N(C)C1CC([NH3+])C1 ZINC000876863035 590250976 /nfs/dbraw/zinc/25/09/76/590250976.db2.gz ZXPRUFMVNLJXQA-HACHORDNSA-N 1 3 214.313 -1.177 20 0 BAADHO CN(C)C[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000876864316 590251030 /nfs/dbraw/zinc/25/10/30/590251030.db2.gz QFMPIVFOARYPGL-BQBZGAKWSA-N 1 3 238.282 -1.026 20 0 BAADHO CN(C)C[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000876864321 590251106 /nfs/dbraw/zinc/25/11/06/590251106.db2.gz QFMPIVFOARYPGL-NKWVEPMBSA-N 1 3 238.282 -1.026 20 0 BAADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](N)CN(C)C ZINC000876865044 590251469 /nfs/dbraw/zinc/25/14/69/590251469.db2.gz YBGJTGANGLAGCE-SFYZADRCSA-N 1 3 202.302 -1.271 20 0 BAADHO CC[C@H]([NH3+])CNC(=O)[C@@H](N)CN(C)C ZINC000876865045 590251396 /nfs/dbraw/zinc/25/13/96/590251396.db2.gz YBGJTGANGLAGCE-YUMQZZPRSA-N 1 3 202.302 -1.271 20 0 BAADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876870670 590251993 /nfs/dbraw/zinc/25/19/93/590251993.db2.gz BOEVVWKCRLOKJZ-UTLUCORTSA-N 1 3 226.324 -1.304 20 0 BAADHO O=C(CN1CCNCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872337 590252013 /nfs/dbraw/zinc/25/20/13/590252013.db2.gz YAQSUQDONWXGAI-MNOVXSKESA-N 1 3 238.335 -1.288 20 0 BAADHO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2CNCCO2)C1(F)F ZINC000876916587 584887739 /nfs/dbraw/zinc/88/77/39/584887739.db2.gz DJNHVEKHFXHJNA-BWZBUEFSSA-N 1 3 249.261 -1.069 20 0 BAADHO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2CNCCO2)C1(F)F ZINC000876916602 584887792 /nfs/dbraw/zinc/88/77/92/584887792.db2.gz DJNHVEKHFXHJNA-XLPZGREQSA-N 1 3 249.261 -1.069 20 0 BAADHO CN(C)C[C@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000876969430 590262754 /nfs/dbraw/zinc/26/27/54/590262754.db2.gz PFARMOWDTLVPMX-YUCVTWSNSA-N 1 3 226.324 -1.175 20 0 BAADHO CN(C)C[C@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000876974840 590263636 /nfs/dbraw/zinc/26/36/36/590263636.db2.gz VJMKEIHEEBFRTQ-YUCVTWSNSA-N 1 3 226.324 -1.257 20 0 BAADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000876977637 584888540 /nfs/dbraw/zinc/88/85/40/584888540.db2.gz AAWJYHPLIHLETO-SFYZADRCSA-N 1 3 202.302 -1.401 20 0 BAADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000876977638 584888555 /nfs/dbraw/zinc/88/85/55/584888555.db2.gz AAWJYHPLIHLETO-YUMQZZPRSA-N 1 3 202.302 -1.401 20 0 BAADHO CN(C)C[C@H](N)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000876980528 590264800 /nfs/dbraw/zinc/26/48/00/590264800.db2.gz ILQIAZMUUKGRSD-WCBMZHEXSA-N 1 3 214.313 -1.257 20 0 BAADHO CN(C)C[C@H](N)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000876980531 590264894 /nfs/dbraw/zinc/26/48/94/590264894.db2.gz ILQIAZMUUKGRSD-WPRPVWTQSA-N 1 3 214.313 -1.257 20 0 BAADHO CCN(CC[NH3+])C(=O)[C@@H](N)CN(C)C ZINC000877006465 590268358 /nfs/dbraw/zinc/26/83/58/590268358.db2.gz UWVVVFUMGJIDSS-QMMMGPOBSA-N 1 3 202.302 -1.318 20 0 BAADHO CCN(CC[NH3+])C(=O)C1=NO[C@@H](CN)C1 ZINC000877006857 590268507 /nfs/dbraw/zinc/26/85/07/590268507.db2.gz UAMGBVMHXWCUJY-SSDOTTSWSA-N 1 3 214.269 -1.103 20 0 BAADHO CCN(CC[NH3+])C(=O)C1=NO[C@H](CN)C1 ZINC000877006858 590268426 /nfs/dbraw/zinc/26/84/26/590268426.db2.gz UAMGBVMHXWCUJY-ZETCQYMHSA-N 1 3 214.269 -1.103 20 0 BAADHO C[NH2+]CCOCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000877024188 590270544 /nfs/dbraw/zinc/27/05/44/590270544.db2.gz UFYQMBGGGHJXAF-MRVPVSSYSA-N 1 3 244.295 -1.558 20 0 BAADHO C[NH2+]CCOCCNC(=O)C1=NO[C@H](CN)C1 ZINC000877024189 590270276 /nfs/dbraw/zinc/27/02/76/590270276.db2.gz UFYQMBGGGHJXAF-QMMMGPOBSA-N 1 3 244.295 -1.558 20 0 BAADHO CCNCC(=O)NCCOCC[NH2+]C ZINC000877024615 590271010 /nfs/dbraw/zinc/27/10/10/590271010.db2.gz JISHXNGCHSNCID-UHFFFAOYSA-N 1 3 203.286 -1.052 20 0 BAADHO C[NH2+]CCOCCN(C)C(=O)[C@@H](N)CN(C)C ZINC000877029495 590271739 /nfs/dbraw/zinc/27/17/39/590271739.db2.gz DWHFEPZKYMEBJE-JTQLQIEISA-N 1 3 246.355 -1.430 20 0 BAADHO CN(C)C[C@H](N)C(=O)N(C)CCOCC[NH3+] ZINC000877056419 590275636 /nfs/dbraw/zinc/27/56/36/590275636.db2.gz LIVXSVQDRSEGCX-VIFPVBQESA-N 1 3 232.328 -1.691 20 0 BAADHO C[C@@H]([NH3+])CN(C)C(=O)CN1CCNCC1 ZINC000877107432 590285786 /nfs/dbraw/zinc/28/57/86/590285786.db2.gz FKLWKYGDRGMCNB-SECBINFHSA-N 1 3 214.313 -1.303 20 0 BAADHO C[C@H]([NH3+])CN(C)C(=O)CN1CCNCC1 ZINC000877107433 590285695 /nfs/dbraw/zinc/28/56/95/590285695.db2.gz FKLWKYGDRGMCNB-VIFPVBQESA-N 1 3 214.313 -1.303 20 0 BAADHO C[C@@H]([NH3+])CN(C)C(=O)[C@@H](N)CN(C)C ZINC000877107514 590285641 /nfs/dbraw/zinc/28/56/41/590285641.db2.gz HUTZGEMCRAZJPC-SFYZADRCSA-N 1 3 202.302 -1.319 20 0 BAADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H](N)CN(C)C ZINC000877107515 590285931 /nfs/dbraw/zinc/28/59/31/590285931.db2.gz HUTZGEMCRAZJPC-YUMQZZPRSA-N 1 3 202.302 -1.319 20 0 BAADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000877108354 590286518 /nfs/dbraw/zinc/28/65/18/590286518.db2.gz QXHQSJDEVRFOAJ-BIIVOSGPSA-N 1 3 201.270 -1.092 20 0 BAADHO C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000877108360 590286497 /nfs/dbraw/zinc/28/64/97/590286497.db2.gz QXHQSJDEVRFOAJ-GJMOJQLCSA-N 1 3 201.270 -1.092 20 0 BAADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000877109365 590286667 /nfs/dbraw/zinc/28/66/67/590286667.db2.gz IAHBDLPSMPQXQX-XHNCKOQMSA-N 1 3 214.313 -1.258 20 0 BAADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000877110032 590287027 /nfs/dbraw/zinc/28/70/27/590287027.db2.gz WJOCJNIUKJIHDK-BIIVOSGPSA-N 1 3 226.280 -1.043 20 0 BAADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000877110038 590286869 /nfs/dbraw/zinc/28/68/69/590286869.db2.gz WJOCJNIUKJIHDK-XLPZGREQSA-N 1 3 226.280 -1.043 20 0 BAADHO CN(C)C[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168174 590295414 /nfs/dbraw/zinc/29/54/14/590295414.db2.gz IGTCXCXBRCKABW-CIUDSAMLSA-N 1 3 212.297 -1.552 20 0 BAADHO NC[C@H]1CC(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)=NO1 ZINC000877168560 590295176 /nfs/dbraw/zinc/29/51/76/590295176.db2.gz OCGXWOOZXDZSFW-BIIVOSGPSA-N 1 3 224.264 -1.337 20 0 BAADHO NC[C@@H]1CC(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)=NO1 ZINC000877168561 590295378 /nfs/dbraw/zinc/29/53/78/590295378.db2.gz OCGXWOOZXDZSFW-FXQIFTODSA-N 1 3 224.264 -1.337 20 0 BAADHO CN(C)C[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877171803 590296358 /nfs/dbraw/zinc/29/63/58/590296358.db2.gz GIKAKWZKHUQMQM-AEJSXWLSSA-N 1 3 226.324 -1.162 20 0 BAADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@@H](N)CN(C)C ZINC000877172991 584891342 /nfs/dbraw/zinc/89/13/42/584891342.db2.gz WDNBDGTWLWXROD-CIUDSAMLSA-N 1 3 214.313 -1.177 20 0 BAADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H](N)CN(C)C ZINC000877172992 584891193 /nfs/dbraw/zinc/89/11/93/584891193.db2.gz WDNBDGTWLWXROD-HLTSFMKQSA-N 1 3 214.313 -1.177 20 0 BAADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H](N)CN(C)C ZINC000877172993 584891395 /nfs/dbraw/zinc/89/13/95/584891395.db2.gz WDNBDGTWLWXROD-VGMNWLOBSA-N 1 3 214.313 -1.177 20 0 BAADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H](N)CN(C)C ZINC000877172994 584891296 /nfs/dbraw/zinc/89/12/96/584891296.db2.gz WDNBDGTWLWXROD-YIZRAAEISA-N 1 3 214.313 -1.177 20 0 BAADHO CN(C)C[C@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877371036 645794175 /nfs/dbraw/zinc/79/41/75/645794175.db2.gz KDJOGQPCFRSTFN-JBLDHEPKSA-N 1 3 240.351 -1.057 20 0 BAADHO CO[C@@H](CN)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000884026594 591809283 /nfs/dbraw/zinc/80/92/83/591809283.db2.gz HOZLAYRIDVWCJY-JTQLQIEISA-N 1 3 244.339 -1.676 20 0 BAADHO CCO[C@@H]1CN(C(=O)[C@H](CN)OC)C[C@H]1C[NH3+] ZINC000884386605 591922051 /nfs/dbraw/zinc/92/20/51/591922051.db2.gz UVZOKCCVVZSNMM-KXUCPTDWSA-N 1 3 245.323 -1.218 20 0 BAADHO CO[C@@H](CN)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000884421751 591929634 /nfs/dbraw/zinc/92/96/34/591929634.db2.gz CJLVSJAJOSEWCW-CBAPKCEASA-N 1 3 201.270 -1.172 20 0 BAADHO CO[C@@H](CN)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000884421752 591930060 /nfs/dbraw/zinc/93/00/60/591930060.db2.gz CJLVSJAJOSEWCW-IONNQARKSA-N 1 3 201.270 -1.172 20 0 BAADHO C[NH2+]CCOCCN(C)C(=O)[C@H](CN)OC ZINC000884435062 591933083 /nfs/dbraw/zinc/93/30/83/591933083.db2.gz IUHXNHICNGNFEE-VIFPVBQESA-N 1 3 233.312 -1.346 20 0 BAADHO CO[C@@H](CN)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000884444964 591936778 /nfs/dbraw/zinc/93/67/78/591936778.db2.gz ABLJUCGLVATDGQ-RNJXMRFFSA-N 1 3 201.270 -1.173 20 0 BAADHO CO[C@@H](CN)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884457969 591940124 /nfs/dbraw/zinc/94/01/24/591940124.db2.gz RTGXSJIDAVFNHJ-YIZRAAEISA-N 1 3 213.281 -1.077 20 0 BAADHO CO[C@@H](CN)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884458801 591941209 /nfs/dbraw/zinc/94/12/09/591941209.db2.gz NQSPEGRUMPKGFH-CSMHCCOUSA-N 1 3 201.270 -1.092 20 0 BAADHO CO[C@@H](CN)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884458802 591941275 /nfs/dbraw/zinc/94/12/75/591941275.db2.gz NQSPEGRUMPKGFH-FXQIFTODSA-N 1 3 201.270 -1.092 20 0 BAADHO CO[C@@H](CN)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884458803 591941326 /nfs/dbraw/zinc/94/13/26/591941326.db2.gz NQSPEGRUMPKGFH-PRJMDXOYSA-N 1 3 201.270 -1.092 20 0 BAADHO CO[C@@H](CN)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884458804 591930273 /nfs/dbraw/zinc/93/02/73/591930273.db2.gz NQSPEGRUMPKGFH-RNJXMRFFSA-N 1 3 201.270 -1.092 20 0 BAADHO COCCNCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892050913 582775210 /nfs/dbraw/zinc/77/52/10/582775210.db2.gz IMYTUQSESAURJD-UWVGGRQHSA-N 1 3 242.323 -1.022 20 0 BAADHO O=C(NC[C@@H]1CNCCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892178289 582806091 /nfs/dbraw/zinc/80/60/91/582806091.db2.gz CIKSWEWQQBUTQY-GUBZILKMSA-N 1 3 240.307 -1.270 20 0 BAADHO O=C(NC[C@H]1CNCCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892178300 582806072 /nfs/dbraw/zinc/80/60/72/582806072.db2.gz CIKSWEWQQBUTQY-LPEHRKFASA-N 1 3 240.307 -1.270 20 0 BAADHO CN(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000899734018 584235467 /nfs/dbraw/zinc/23/54/67/584235467.db2.gz QXEPECGEEUONSL-JTQLQIEISA-N 1 3 229.324 -1.022 20 0 BAADHO CN(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000899734018 584235465 /nfs/dbraw/zinc/23/54/65/584235465.db2.gz QXEPECGEEUONSL-JTQLQIEISA-N 1 3 229.324 -1.022 20 0 BAADHO CN(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000899734019 584235487 /nfs/dbraw/zinc/23/54/87/584235487.db2.gz QXEPECGEEUONSL-SNVBAGLBSA-N 1 3 229.324 -1.022 20 0 BAADHO CN(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000899734019 584235486 /nfs/dbraw/zinc/23/54/86/584235486.db2.gz QXEPECGEEUONSL-SNVBAGLBSA-N 1 3 229.324 -1.022 20 0 BAADHO [NH3+]C1(CNS(=O)(=O)C2CNC2)CC1 ZINC000903524308 584781256 /nfs/dbraw/zinc/78/12/56/584781256.db2.gz JKFTUSHSMAIHKO-UHFFFAOYSA-N 1 3 205.283 -1.631 20 0 BAADHO [NH3+]C1(CNS(=O)(=O)N2CCNCC2)CC1 ZINC000903524772 584781503 /nfs/dbraw/zinc/78/15/03/584781503.db2.gz XYGGFFMGCHJRMA-UHFFFAOYSA-N 1 3 234.325 -1.783 20 0 BAADHO CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)C1CNC1 ZINC000903553930 637371049 /nfs/dbraw/zinc/37/10/49/637371049.db2.gz LFLOOVLESAKDTI-MRVPVSSYSA-N 1 3 233.337 -1.124 20 0 BAADHO CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)C1CNC1 ZINC000903553931 637372221 /nfs/dbraw/zinc/37/22/21/637372221.db2.gz LFLOOVLESAKDTI-QMMMGPOBSA-N 1 3 233.337 -1.124 20 0 BAADHO O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CNC1 ZINC000903560805 584782174 /nfs/dbraw/zinc/78/21/74/584782174.db2.gz JIYDQEFQPMVIOO-NBEYISGCSA-N 1 3 231.321 -1.230 20 0 BAADHO O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CNC1 ZINC000903563845 584782287 /nfs/dbraw/zinc/78/22/87/584782287.db2.gz JIYDQEFQPMVIOO-BWVDBABLSA-N 1 3 231.321 -1.230 20 0 BAADHO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)C2CNC2)C1 ZINC000903569776 584783648 /nfs/dbraw/zinc/78/36/48/584783648.db2.gz OOGUQPBYVQFURE-LJGSYFOKSA-N 1 3 219.310 -1.385 20 0 BAADHO [NH3+]CCN1CCC(N[C@H]2CNOC2)CC1 ZINC000904424140 584881250 /nfs/dbraw/zinc/88/12/50/584881250.db2.gz NRTMQXPLJSGWRF-JTQLQIEISA-N 1 3 214.313 -1.098 20 0 BAADHO [NH3+]CCN1CCC(N[C@@H]2CNOC2)CC1 ZINC000904424141 584880926 /nfs/dbraw/zinc/88/09/26/584880926.db2.gz NRTMQXPLJSGWRF-SNVBAGLBSA-N 1 3 214.313 -1.098 20 0 BAADHO O[C@@H](C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1)CN1CCCC1 ZINC000905467994 637827793 /nfs/dbraw/zinc/82/77/93/637827793.db2.gz UVAXFNZLUXUGQL-FIQHERPVSA-N 1 3 244.335 -1.083 20 0 BAADHO O[C@H](C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1)CN1CCCC1 ZINC000905468002 637827934 /nfs/dbraw/zinc/82/79/34/637827934.db2.gz UVAXFNZLUXUGQL-KKOKHZNYSA-N 1 3 244.335 -1.083 20 0 BAADHO O[C@H](C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1)CN1CCCC1 ZINC000905468011 637828015 /nfs/dbraw/zinc/82/80/15/637828015.db2.gz UVAXFNZLUXUGQL-WISYIIOYSA-N 1 3 244.335 -1.083 20 0 BAADHO O[C@@H](C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1)CN1CCCC1 ZINC000905468019 637827408 /nfs/dbraw/zinc/82/74/08/637827408.db2.gz UVAXFNZLUXUGQL-YFKTTZPYSA-N 1 3 244.335 -1.083 20 0 BAADHO CN(CCO)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000905488131 637833634 /nfs/dbraw/zinc/83/36/34/637833634.db2.gz BNYOOKXGBAHECX-GFCCVEGCSA-N 1 3 245.367 -1.043 20 0 BAADHO CN(CCO)CCNC[C@H](O)C[NH+]1CCCC1 ZINC000905488149 637833418 /nfs/dbraw/zinc/83/34/18/637833418.db2.gz BNYOOKXGBAHECX-LBPRGKRZSA-N 1 3 245.367 -1.043 20 0 BAADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911618740 639681937 /nfs/dbraw/zinc/68/19/37/639681937.db2.gz BLXZGSVVNZTMRP-NXEZZACHSA-N 1 3 226.324 -1.160 20 0 BAADHO CN1CCNC[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911618742 639680830 /nfs/dbraw/zinc/68/08/30/639680830.db2.gz BLXZGSVVNZTMRP-UWVGGRQHSA-N 1 3 226.324 -1.160 20 0 BAADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911618743 639681633 /nfs/dbraw/zinc/68/16/33/639681633.db2.gz BLXZGSVVNZTMRP-VHSXEESVSA-N 1 3 226.324 -1.160 20 0 BAADHO CN1CCNC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911618744 639681552 /nfs/dbraw/zinc/68/15/52/639681552.db2.gz BLXZGSVVNZTMRP-ZJUUUORDSA-N 1 3 226.324 -1.160 20 0 BAADHO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNCCN2C)C1 ZINC000911659509 711819197 /nfs/dbraw/zinc/81/91/97/711819197.db2.gz APYAYKCHRCFNME-NXEZZACHSA-N 1 3 226.324 -1.290 20 0 BAADHO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CNCCN2C)C1 ZINC000911659510 711819282 /nfs/dbraw/zinc/81/92/82/711819282.db2.gz APYAYKCHRCFNME-UWVGGRQHSA-N 1 3 226.324 -1.290 20 0 BAADHO C[NH2+][C@H]1CCN(C(=O)[C@H]2CNCCN2C)C1 ZINC000911659511 711819274 /nfs/dbraw/zinc/81/92/74/711819274.db2.gz APYAYKCHRCFNME-VHSXEESVSA-N 1 3 226.324 -1.290 20 0 BAADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNCCN2C)C1 ZINC000911659512 711819289 /nfs/dbraw/zinc/81/92/89/711819289.db2.gz APYAYKCHRCFNME-ZJUUUORDSA-N 1 3 226.324 -1.290 20 0 BAADHO CN1CCNC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911673361 639734561 /nfs/dbraw/zinc/73/45/61/639734561.db2.gz LUIKVYLLSCJYCM-NXEZZACHSA-N 1 3 226.324 -1.242 20 0 BAADHO CN1CCNC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911673362 639734954 /nfs/dbraw/zinc/73/49/54/639734954.db2.gz LUIKVYLLSCJYCM-UWVGGRQHSA-N 1 3 226.324 -1.242 20 0 BAADHO CN1CCNC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911673363 639736440 /nfs/dbraw/zinc/73/64/40/639736440.db2.gz LUIKVYLLSCJYCM-VHSXEESVSA-N 1 3 226.324 -1.242 20 0 BAADHO CN1CCNC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911673574 639734613 /nfs/dbraw/zinc/73/46/13/639734613.db2.gz LUIKVYLLSCJYCM-ZJUUUORDSA-N 1 3 226.324 -1.242 20 0 BAADHO C[NH2+]CCCNC(=O)[C@H]1CNCCN1C ZINC000911677182 639717749 /nfs/dbraw/zinc/71/77/49/639717749.db2.gz NHMZNKZRHKGYIP-SECBINFHSA-N 1 3 214.313 -1.384 20 0 BAADHO C[NH2+]CCCNC(=O)[C@@H]1CNCCN1C ZINC000911677194 639717036 /nfs/dbraw/zinc/71/70/36/639717036.db2.gz NHMZNKZRHKGYIP-VIFPVBQESA-N 1 3 214.313 -1.384 20 0 BAADHO CN1CCNC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911696971 639730329 /nfs/dbraw/zinc/73/03/29/639730329.db2.gz YYKPHCIZFPRQJP-BDAKNGLRSA-N 1 3 212.297 -1.632 20 0 BAADHO CN1CCNC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000911696972 639729789 /nfs/dbraw/zinc/72/97/89/639729789.db2.gz YYKPHCIZFPRQJP-DTWKUNHWSA-N 1 3 212.297 -1.632 20 0 BAADHO CN1CCNC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000911696973 639731248 /nfs/dbraw/zinc/73/12/48/639731248.db2.gz YYKPHCIZFPRQJP-IUCAKERBSA-N 1 3 212.297 -1.632 20 0 BAADHO CN1CCNC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911696974 639730884 /nfs/dbraw/zinc/73/08/84/639730884.db2.gz YYKPHCIZFPRQJP-RKDXNWHRSA-N 1 3 212.297 -1.632 20 0 BAADHO C[C@@H]1CNCCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC000911721335 639744603 /nfs/dbraw/zinc/74/46/03/639744603.db2.gz KPINTZQEFLDAES-NXEZZACHSA-N 1 3 226.324 -1.290 20 0 BAADHO C[C@H]1CNCCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC000911721336 639745130 /nfs/dbraw/zinc/74/51/30/639745130.db2.gz KPINTZQEFLDAES-UWVGGRQHSA-N 1 3 226.324 -1.290 20 0 BAADHO C[C@H]1CNCCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC000911721337 639746231 /nfs/dbraw/zinc/74/62/31/639746231.db2.gz KPINTZQEFLDAES-VHSXEESVSA-N 1 3 226.324 -1.290 20 0 BAADHO C[C@@H]1CNCCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC000911721338 639744440 /nfs/dbraw/zinc/74/44/40/639744440.db2.gz KPINTZQEFLDAES-ZJUUUORDSA-N 1 3 226.324 -1.290 20 0 BAADHO C[C@H]([NH3+])CCNC(=O)[C@H]1CNCCN1C ZINC000911739720 639766653 /nfs/dbraw/zinc/76/66/53/639766653.db2.gz CHKRVCMIWQDVBD-DTWKUNHWSA-N 1 3 214.313 -1.257 20 0 BAADHO C[C@H]([NH3+])CCNC(=O)[C@@H]1CNCCN1C ZINC000911739721 639767527 /nfs/dbraw/zinc/76/75/27/639767527.db2.gz CHKRVCMIWQDVBD-IUCAKERBSA-N 1 3 214.313 -1.257 20 0 BAADHO C[NH2+]CCNC(=O)[C@H]1CNCCN1C ZINC000911746677 639770551 /nfs/dbraw/zinc/77/05/51/639770551.db2.gz WDZWSUPIUKLERB-MRVPVSSYSA-N 1 3 200.286 -1.774 20 0 BAADHO C[NH2+]CCNC(=O)[C@@H]1CNCCN1C ZINC000911746685 639771935 /nfs/dbraw/zinc/77/19/35/639771935.db2.gz WDZWSUPIUKLERB-QMMMGPOBSA-N 1 3 200.286 -1.774 20 0 BAADHO CN1CCNC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911750441 639774777 /nfs/dbraw/zinc/77/47/77/639774777.db2.gz CEYVISSLYUSQML-NXEZZACHSA-N 1 3 226.324 -1.242 20 0 BAADHO CN1CCNC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911750443 639775956 /nfs/dbraw/zinc/77/59/56/639775956.db2.gz CEYVISSLYUSQML-UWVGGRQHSA-N 1 3 226.324 -1.242 20 0 BAADHO CN1CCNC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911750445 639775025 /nfs/dbraw/zinc/77/50/25/639775025.db2.gz CEYVISSLYUSQML-VHSXEESVSA-N 1 3 226.324 -1.242 20 0 BAADHO CN1CCNC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911750447 639775596 /nfs/dbraw/zinc/77/55/96/639775596.db2.gz CEYVISSLYUSQML-ZJUUUORDSA-N 1 3 226.324 -1.242 20 0 BAADHO CC[NH2+]CCNC(=O)[C@H]1CNCCN1C ZINC000911750593 639777464 /nfs/dbraw/zinc/77/74/64/639777464.db2.gz MGYCNCXKRCUZIW-SECBINFHSA-N 1 3 214.313 -1.384 20 0 BAADHO CC[NH2+]CCNC(=O)[C@@H]1CNCCN1C ZINC000911750595 639778086 /nfs/dbraw/zinc/77/80/86/639778086.db2.gz MGYCNCXKRCUZIW-VIFPVBQESA-N 1 3 214.313 -1.384 20 0 BAADHO CN1CCNC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000911753443 639782091 /nfs/dbraw/zinc/78/20/91/639782091.db2.gz BYPMHKRDIKOBLT-JTQLQIEISA-N 1 3 226.324 -1.242 20 0 BAADHO CN1CCNC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000911753444 639782184 /nfs/dbraw/zinc/78/21/84/639782184.db2.gz BYPMHKRDIKOBLT-SNVBAGLBSA-N 1 3 226.324 -1.242 20 0 BAADHO CN1CCNC[C@@H]1C(=O)NC(C)(C)C[NH3+] ZINC000911762923 639789197 /nfs/dbraw/zinc/78/91/97/639789197.db2.gz SDUCXFICYHMFRC-MRVPVSSYSA-N 1 3 214.313 -1.257 20 0 BAADHO CN1CCNC[C@H]1C(=O)NC(C)(C)C[NH3+] ZINC000911762924 639789341 /nfs/dbraw/zinc/78/93/41/639789341.db2.gz SDUCXFICYHMFRC-QMMMGPOBSA-N 1 3 214.313 -1.257 20 0 BAADHO CN(C(=O)[C@H]1CNCCN1C)[C@@H]1CC[NH2+]C1 ZINC000911782457 639799677 /nfs/dbraw/zinc/79/96/77/639799677.db2.gz JNGPGZAJSXHLOM-NXEZZACHSA-N 1 3 226.324 -1.290 20 0 BAADHO CN(C(=O)[C@@H]1CNCCN1C)[C@H]1CC[NH2+]C1 ZINC000911782458 639800647 /nfs/dbraw/zinc/80/06/47/639800647.db2.gz JNGPGZAJSXHLOM-UWVGGRQHSA-N 1 3 226.324 -1.290 20 0 BAADHO CN(C(=O)[C@H]1CNCCN1C)[C@H]1CC[NH2+]C1 ZINC000911782460 639800675 /nfs/dbraw/zinc/80/06/75/639800675.db2.gz JNGPGZAJSXHLOM-VHSXEESVSA-N 1 3 226.324 -1.290 20 0 BAADHO CN(C(=O)[C@@H]1CNCCN1C)[C@@H]1CC[NH2+]C1 ZINC000911782461 639799825 /nfs/dbraw/zinc/79/98/25/639799825.db2.gz JNGPGZAJSXHLOM-ZJUUUORDSA-N 1 3 226.324 -1.290 20 0 BAADHO C[C@@H]1CN(C(=O)CNCC[NH3+])C[C@H](C)N1 ZINC000911799404 639820681 /nfs/dbraw/zinc/82/06/81/639820681.db2.gz XWAJREUXVYAAPM-DTORHVGOSA-N 1 3 214.313 -1.257 20 0 BAADHO C[C@H]1CN(C(=O)CNCC[NH3+])C[C@H](C)N1 ZINC000911799406 639820758 /nfs/dbraw/zinc/82/07/58/639820758.db2.gz XWAJREUXVYAAPM-IUCAKERBSA-N 1 3 214.313 -1.257 20 0 BAADHO C[C@@H]1CN(C(=O)CNCC[NH3+])C[C@@H](C)N1 ZINC000911799408 639821481 /nfs/dbraw/zinc/82/14/81/639821481.db2.gz XWAJREUXVYAAPM-RKDXNWHRSA-N 1 3 214.313 -1.257 20 0 BAADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CNCCN1C ZINC000911827948 639838621 /nfs/dbraw/zinc/83/86/21/639838621.db2.gz YKDGIBAGCZNLFZ-NXEZZACHSA-N 1 3 228.340 -1.011 20 0 BAADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CNCCN1C ZINC000911827951 639838668 /nfs/dbraw/zinc/83/86/68/639838668.db2.gz YKDGIBAGCZNLFZ-UWVGGRQHSA-N 1 3 228.340 -1.011 20 0 BAADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CNCCN1C ZINC000911827954 639839804 /nfs/dbraw/zinc/83/98/04/639839804.db2.gz YKDGIBAGCZNLFZ-VHSXEESVSA-N 1 3 228.340 -1.011 20 0 BAADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CNCCN1C ZINC000911827957 639839595 /nfs/dbraw/zinc/83/95/95/639839595.db2.gz YKDGIBAGCZNLFZ-ZJUUUORDSA-N 1 3 228.340 -1.011 20 0 BAADHO CN1CCNC[C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911833923 639844905 /nfs/dbraw/zinc/84/49/05/639844905.db2.gz MIKAMIUNIAQRGO-NXEZZACHSA-N 1 3 226.324 -1.257 20 0 BAADHO CN1CCNC[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911833924 639845075 /nfs/dbraw/zinc/84/50/75/639845075.db2.gz MIKAMIUNIAQRGO-UWVGGRQHSA-N 1 3 226.324 -1.257 20 0 BAADHO CN1CCNC[C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911833925 639845621 /nfs/dbraw/zinc/84/56/21/639845621.db2.gz MIKAMIUNIAQRGO-VHSXEESVSA-N 1 3 226.324 -1.257 20 0 BAADHO CN1CCNC[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911833926 639845928 /nfs/dbraw/zinc/84/59/28/639845928.db2.gz MIKAMIUNIAQRGO-ZJUUUORDSA-N 1 3 226.324 -1.257 20 0 BAADHO CC1(C)CNCCN1C(=O)CNCC[NH3+] ZINC000911844968 639854949 /nfs/dbraw/zinc/85/49/49/639854949.db2.gz HYHOCJWLGAUFJZ-UHFFFAOYSA-N 1 3 214.313 -1.255 20 0 BAADHO CN1CCNC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000911845834 639855021 /nfs/dbraw/zinc/85/50/21/639855021.db2.gz DXJSOOVRURGSLV-MRVPVSSYSA-N 1 3 214.313 -1.257 20 0 BAADHO CN1CCNC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000911845836 639854628 /nfs/dbraw/zinc/85/46/28/639854628.db2.gz DXJSOOVRURGSLV-QMMMGPOBSA-N 1 3 214.313 -1.257 20 0 BAADHO CC1(C)CNCCN1C(=O)C[C@@H](O)C[NH3+] ZINC000911848161 639858117 /nfs/dbraw/zinc/85/81/17/639858117.db2.gz VFAVDULEQLSYCH-MRVPVSSYSA-N 1 3 215.297 -1.094 20 0 BAADHO CC1(C)CNCCN1C(=O)C[C@H](O)C[NH3+] ZINC000911848162 639857509 /nfs/dbraw/zinc/85/75/09/639857509.db2.gz VFAVDULEQLSYCH-QMMMGPOBSA-N 1 3 215.297 -1.094 20 0 BAADHO CNC(=O)CCN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923311102 644347556 /nfs/dbraw/zinc/34/75/56/644347556.db2.gz HOGPZLIAEBLSCZ-CIUDSAMLSA-N 1 3 215.297 -1.095 20 0 BAADHO C[NH2+][C@@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923563317 644504792 /nfs/dbraw/zinc/50/47/92/644504792.db2.gz SPFHBWVPYKPSOH-SSDOTTSWSA-N 1 3 219.310 -1.418 20 0 BAADHO C[NH2+][C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923563321 644503994 /nfs/dbraw/zinc/50/39/94/644503994.db2.gz SPFHBWVPYKPSOH-ZETCQYMHSA-N 1 3 219.310 -1.418 20 0 BAADHO [NH3+][C@@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923563740 644504416 /nfs/dbraw/zinc/50/44/16/644504416.db2.gz OBXPSNZDVZLDPT-SECBINFHSA-N 1 3 248.352 -1.441 20 0 BAADHO [NH3+][C@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923563742 644505517 /nfs/dbraw/zinc/50/55/17/644505517.db2.gz OBXPSNZDVZLDPT-VIFPVBQESA-N 1 3 248.352 -1.441 20 0 BAADHO O=S(=O)(NCC1CC[NH2+]CC1)C1CNC1 ZINC000923563834 644505233 /nfs/dbraw/zinc/50/52/33/644505233.db2.gz YRYBUZFNNZHZFM-UHFFFAOYSA-N 1 3 233.337 -1.123 20 0 BAADHO [NH3+][C@@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923563858 644504490 /nfs/dbraw/zinc/50/44/90/644504490.db2.gz QBLHVFPLTQWWSP-ZCFIWIBFSA-N 1 3 205.283 -1.679 20 0 BAADHO [NH3+]C1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923564029 644505967 /nfs/dbraw/zinc/50/59/67/644505967.db2.gz QYBLCHJRQJOAMP-UHFFFAOYSA-N 1 3 219.310 -1.289 20 0 BAADHO [NH3+]C[C@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923564682 644505075 /nfs/dbraw/zinc/50/50/75/644505075.db2.gz BMRVZHRKNCMDRC-MRVPVSSYSA-N 1 3 233.337 -1.041 20 0 BAADHO [NH3+]C[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923564683 644505563 /nfs/dbraw/zinc/50/55/63/644505563.db2.gz BMRVZHRKNCMDRC-QMMMGPOBSA-N 1 3 233.337 -1.041 20 0 BAADHO [NH3+][C@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923565630 644505034 /nfs/dbraw/zinc/50/50/34/644505034.db2.gz IVOHLRSHJGRFKD-QMMMGPOBSA-N 1 3 234.325 -1.831 20 0 BAADHO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)C1CNC1 ZINC000923565780 644505260 /nfs/dbraw/zinc/50/52/60/644505260.db2.gz FTACHVOCPNUYKW-MRVPVSSYSA-N 1 3 233.337 -1.123 20 0 BAADHO O=S(=O)(NC[C@H]1CCC[NH2+]C1)C1CNC1 ZINC000923565782 644504756 /nfs/dbraw/zinc/50/47/56/644504756.db2.gz FTACHVOCPNUYKW-QMMMGPOBSA-N 1 3 233.337 -1.123 20 0 BAADHO O=S(=O)(N[C@H]1CC[NH2+]C1)C1CNC1 ZINC000923565821 644505010 /nfs/dbraw/zinc/50/50/10/644505010.db2.gz GDGMDWYEIZSFCD-LURJTMIESA-N 1 3 205.283 -1.761 20 0 BAADHO O=S(=O)(N[C@@H]1CC[NH2+]C1)C1CNC1 ZINC000923565823 644505106 /nfs/dbraw/zinc/50/51/06/644505106.db2.gz GDGMDWYEIZSFCD-ZCFIWIBFSA-N 1 3 205.283 -1.761 20 0 BAADHO CC[NH2+]CCCNS(=O)(=O)C1CNC1 ZINC000923566093 644506241 /nfs/dbraw/zinc/50/62/41/644506241.db2.gz IKGDNLNGBPVXSY-UHFFFAOYSA-N 1 3 221.326 -1.123 20 0 BAADHO [NH3+]C[C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923566284 644506211 /nfs/dbraw/zinc/50/62/11/644506211.db2.gz MGNPSGWBBPEODZ-SSDOTTSWSA-N 1 3 219.310 -1.431 20 0 BAADHO [NH3+]C[C@@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923566285 644506151 /nfs/dbraw/zinc/50/61/51/644506151.db2.gz MGNPSGWBBPEODZ-ZETCQYMHSA-N 1 3 219.310 -1.431 20 0 BAADHO [NH3+][C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923566915 644502971 /nfs/dbraw/zinc/50/29/71/644502971.db2.gz QBLHVFPLTQWWSP-LURJTMIESA-N 1 3 205.283 -1.679 20 0 BAADHO C[C@@H](C[NH3+])N(C)S(=O)(=O)C1CNC1 ZINC000923567810 644511020 /nfs/dbraw/zinc/51/10/20/644511020.db2.gz DRWUWSIVZIMKSF-LURJTMIESA-N 1 3 207.299 -1.433 20 0 BAADHO C[C@H](C[NH3+])N(C)S(=O)(=O)C1CNC1 ZINC000923567811 644511154 /nfs/dbraw/zinc/51/11/54/644511154.db2.gz DRWUWSIVZIMKSF-ZCFIWIBFSA-N 1 3 207.299 -1.433 20 0 BAADHO C[C@@H]1CN(S(=O)(=O)C2CNC2)CC[C@@H]1[NH3+] ZINC000923568042 712341122 /nfs/dbraw/zinc/34/11/22/712341122.db2.gz DWUSQMTUISANHN-APPZFPTMSA-N 1 3 233.337 -1.043 20 0 BAADHO C[C@H]1CN(S(=O)(=O)C2CNC2)CC[C@@H]1[NH3+] ZINC000923568047 712341072 /nfs/dbraw/zinc/34/10/72/712341072.db2.gz DWUSQMTUISANHN-CBAPKCEASA-N 1 3 233.337 -1.043 20 0 BAADHO C[C@H]1CN(S(=O)(=O)C2CNC2)CC[C@H]1[NH3+] ZINC000923568050 712341078 /nfs/dbraw/zinc/34/10/78/712341078.db2.gz DWUSQMTUISANHN-IONNQARKSA-N 1 3 233.337 -1.043 20 0 BAADHO C[C@@H]1CN(S(=O)(=O)C2CNC2)CC[C@H]1[NH3+] ZINC000923568053 712341207 /nfs/dbraw/zinc/34/12/07/712341207.db2.gz DWUSQMTUISANHN-VXNVDRBHSA-N 1 3 233.337 -1.043 20 0 BAADHO CN(C1CC[NH2+]CC1)S(=O)(=O)C1CNC1 ZINC000923568159 712341160 /nfs/dbraw/zinc/34/11/60/712341160.db2.gz YVTRMZPTIRFQHF-UHFFFAOYSA-N 1 3 233.337 -1.028 20 0 BAADHO C[NH2+]C1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923568946 712341153 /nfs/dbraw/zinc/34/11/53/712341153.db2.gz ISHFZTGAQFGXTD-UHFFFAOYSA-N 1 3 233.337 -1.028 20 0 BAADHO C[C@@H]([NH3+])CCNS(=O)(=O)N1CCNCC1 ZINC000923569174 712341117 /nfs/dbraw/zinc/34/11/17/712341117.db2.gz BGGGRPURKRMICE-MRVPVSSYSA-N 1 3 236.341 -1.537 20 0 BAADHO C[C@H]([NH3+])CCNS(=O)(=O)N1CCNCC1 ZINC000923569175 712341082 /nfs/dbraw/zinc/34/10/82/712341082.db2.gz BGGGRPURKRMICE-QMMMGPOBSA-N 1 3 236.341 -1.537 20 0 BAADHO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)C1CNC1 ZINC000923569348 644507543 /nfs/dbraw/zinc/50/75/43/644507543.db2.gz LPEVUEILRLEWRF-SSDOTTSWSA-N 1 3 219.310 -1.418 20 0 BAADHO CN([C@H]1CC[NH2+]C1)S(=O)(=O)C1CNC1 ZINC000923569350 644507214 /nfs/dbraw/zinc/50/72/14/644507214.db2.gz LPEVUEILRLEWRF-ZETCQYMHSA-N 1 3 219.310 -1.418 20 0 BAADHO O=S(=O)(NCC[C@H]1CC[NH2+]C1)C1CNC1 ZINC000923569365 644507091 /nfs/dbraw/zinc/50/70/91/644507091.db2.gz LSVZDLZCOVBUGG-MRVPVSSYSA-N 1 3 233.337 -1.123 20 0 BAADHO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)C1CNC1 ZINC000923569366 644506811 /nfs/dbraw/zinc/50/68/11/644506811.db2.gz LSVZDLZCOVBUGG-QMMMGPOBSA-N 1 3 233.337 -1.123 20 0 BAADHO O=S(=O)(NC[C@H]1CCC[NH2+]1)C1CNC1 ZINC000923570041 644507243 /nfs/dbraw/zinc/50/72/43/644507243.db2.gz GWVNGOPVDIQIET-SSDOTTSWSA-N 1 3 219.310 -1.370 20 0 BAADHO O=S(=O)(NC[C@@H]1CCC[NH2+]1)C1CNC1 ZINC000923570042 644507070 /nfs/dbraw/zinc/50/70/70/644507070.db2.gz GWVNGOPVDIQIET-ZETCQYMHSA-N 1 3 219.310 -1.370 20 0 BAADHO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)N1CCNCC1 ZINC000923570291 644507270 /nfs/dbraw/zinc/50/72/70/644507270.db2.gz QEBDZMFDKKIQDR-SECBINFHSA-N 1 3 248.352 -1.570 20 0 BAADHO CN([C@H]1CC[NH2+]C1)S(=O)(=O)N1CCNCC1 ZINC000923570292 644507518 /nfs/dbraw/zinc/50/75/18/644507518.db2.gz QEBDZMFDKKIQDR-VIFPVBQESA-N 1 3 248.352 -1.570 20 0 BAADHO CC[NH2+]CCNS(=O)(=O)C1CNC1 ZINC000923570406 644507231 /nfs/dbraw/zinc/50/72/31/644507231.db2.gz JWBBELAADKAFLO-UHFFFAOYSA-N 1 3 207.299 -1.513 20 0 BAADHO CC(C)(C[NH3+])NS(=O)(=O)C1CNC1 ZINC000923570866 644507276 /nfs/dbraw/zinc/50/72/76/644507276.db2.gz NLUHXZHASRPNHA-UHFFFAOYSA-N 1 3 207.299 -1.385 20 0 BAADHO O=S(=O)(NCC[NH2+]C1CC1)N1CCNCC1 ZINC000923570889 644508669 /nfs/dbraw/zinc/50/86/69/644508669.db2.gz OAZBXHRVHWXPJG-UHFFFAOYSA-N 1 3 248.352 -1.522 20 0 BAADHO C[C@H](C[NH3+])N(C)S(=O)(=O)N1CCNCC1 ZINC000923571027 644508866 /nfs/dbraw/zinc/50/88/66/644508866.db2.gz YUCKITFLIPFJMT-MRVPVSSYSA-N 1 3 236.341 -1.585 20 0 BAADHO C[C@@H](C[NH3+])N(C)S(=O)(=O)N1CCNCC1 ZINC000923571033 644508930 /nfs/dbraw/zinc/50/89/30/644508930.db2.gz YUCKITFLIPFJMT-QMMMGPOBSA-N 1 3 236.341 -1.585 20 0 BAADHO CC(C)(C[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923571273 644508519 /nfs/dbraw/zinc/50/85/19/644508519.db2.gz QFNZXJZQIZSEJB-UHFFFAOYSA-N 1 3 236.341 -1.537 20 0 BAADHO C[NH2+]C[C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923571357 644508775 /nfs/dbraw/zinc/50/87/75/644508775.db2.gz WBZKNUPDBAPAKW-MRVPVSSYSA-N 1 3 233.337 -1.171 20 0 BAADHO C[NH2+]C[C@@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923571358 644508659 /nfs/dbraw/zinc/50/86/59/644508659.db2.gz WBZKNUPDBAPAKW-QMMMGPOBSA-N 1 3 233.337 -1.171 20 0 BAADHO CC[NH2+]CCNS(=O)(=O)N1CCNCC1 ZINC000923571576 644508229 /nfs/dbraw/zinc/50/82/29/644508229.db2.gz RBGCZUIWEAHQIQ-UHFFFAOYSA-N 1 3 236.341 -1.665 20 0 BAADHO O=S(=O)(NCC[NH2+]C1CC1)C1CNC1 ZINC000923571936 644510294 /nfs/dbraw/zinc/51/02/94/644510294.db2.gz ULCWZAQREIUODJ-UHFFFAOYSA-N 1 3 219.310 -1.370 20 0 BAADHO CN(CCC[NH3+])S(=O)(=O)N1CCNCC1 ZINC000923572367 644510339 /nfs/dbraw/zinc/51/03/39/644510339.db2.gz IXLRSOROZHGBII-UHFFFAOYSA-N 1 3 236.341 -1.583 20 0 BAADHO [NH3+]C[C@@H](NS(=O)(=O)C1CNC1)C1CC1 ZINC000923572486 644510170 /nfs/dbraw/zinc/51/01/70/644510170.db2.gz JPNQWVCQQPIWEA-MRVPVSSYSA-N 1 3 219.310 -1.385 20 0 BAADHO [NH3+]C[C@H](NS(=O)(=O)C1CNC1)C1CC1 ZINC000923572489 644509956 /nfs/dbraw/zinc/50/99/56/644509956.db2.gz JPNQWVCQQPIWEA-QMMMGPOBSA-N 1 3 219.310 -1.385 20 0 BAADHO CC(C)[C@H]([NH3+])CNS(=O)(=O)C1CNC1 ZINC000923572490 644510029 /nfs/dbraw/zinc/51/00/29/644510029.db2.gz JRCDYARVOCIVOJ-MRVPVSSYSA-N 1 3 221.326 -1.139 20 0 BAADHO CC(C)[C@@H]([NH3+])CNS(=O)(=O)C1CNC1 ZINC000923572493 644509712 /nfs/dbraw/zinc/50/97/12/644509712.db2.gz JRCDYARVOCIVOJ-QMMMGPOBSA-N 1 3 221.326 -1.139 20 0 BAADHO C[C@H]([NH3+])CCNS(=O)(=O)C1CNC1 ZINC000923572559 644510349 /nfs/dbraw/zinc/51/03/49/644510349.db2.gz YMZFXMCWYWVLRO-LURJTMIESA-N 1 3 207.299 -1.385 20 0 BAADHO C[C@@H]([NH3+])CCNS(=O)(=O)C1CNC1 ZINC000923572560 644509942 /nfs/dbraw/zinc/50/99/42/644509942.db2.gz YMZFXMCWYWVLRO-ZCFIWIBFSA-N 1 3 207.299 -1.385 20 0 BAADHO C[NH2+]C[C@H]1CCCN1S(=O)(=O)C1CNC1 ZINC000923573554 644510986 /nfs/dbraw/zinc/51/09/86/644510986.db2.gz OGTCPPWNSFSXHF-MRVPVSSYSA-N 1 3 233.337 -1.028 20 0 BAADHO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)C1CNC1 ZINC000923573555 644511171 /nfs/dbraw/zinc/51/11/71/644511171.db2.gz OGTCPPWNSFSXHF-QMMMGPOBSA-N 1 3 233.337 -1.028 20 0 BAADHO [NH3+]C[C@@H](NS(=O)(=O)N1CCNCC1)C1CC1 ZINC000923573606 644511045 /nfs/dbraw/zinc/51/10/45/644511045.db2.gz QZRYBIYEYDLTOD-SECBINFHSA-N 1 3 248.352 -1.537 20 0 BAADHO [NH3+]C[C@H](NS(=O)(=O)N1CCNCC1)C1CC1 ZINC000923573607 644511122 /nfs/dbraw/zinc/51/11/22/644511122.db2.gz QZRYBIYEYDLTOD-VIFPVBQESA-N 1 3 248.352 -1.537 20 0 BAADHO CN(CCC[NH3+])S(=O)(=O)C1CNC1 ZINC000923574190 644513759 /nfs/dbraw/zinc/51/37/59/644513759.db2.gz UFRZEHNXCLCZFX-UHFFFAOYSA-N 1 3 207.299 -1.431 20 0 BAADHO [NH3+]C[C@H]1CCCN1S(=O)(=O)N1CCNCC1 ZINC000923574491 644513685 /nfs/dbraw/zinc/51/36/85/644513685.db2.gz TWHISTGYXACQDO-SECBINFHSA-N 1 3 248.352 -1.441 20 0 BAADHO [NH3+]C[C@@H]1CCCN1S(=O)(=O)N1CCNCC1 ZINC000923574493 644513267 /nfs/dbraw/zinc/51/32/67/644513267.db2.gz TWHISTGYXACQDO-VIFPVBQESA-N 1 3 248.352 -1.441 20 0 BAADHO CC(C)([NH3+])CNS(=O)(=O)N1CCNCC1 ZINC000923574579 644513095 /nfs/dbraw/zinc/51/30/95/644513095.db2.gz UVQGOCRJVPJJEQ-UHFFFAOYSA-N 1 3 236.341 -1.537 20 0 BAADHO CC(C)([NH3+])CNS(=O)(=O)C1CNC1 ZINC000923574650 644513670 /nfs/dbraw/zinc/51/36/70/644513670.db2.gz VIAGNJFGJVEHAQ-UHFFFAOYSA-N 1 3 207.299 -1.385 20 0 BAADHO [NH3+]C[C@H]1CCCN1S(=O)(=O)C1CNC1 ZINC000923575138 644513488 /nfs/dbraw/zinc/51/34/88/644513488.db2.gz XLMCYBLRNISZDK-SSDOTTSWSA-N 1 3 219.310 -1.289 20 0 BAADHO [NH3+]C[C@@H]1CCCN1S(=O)(=O)C1CNC1 ZINC000923575140 644513319 /nfs/dbraw/zinc/51/33/19/644513319.db2.gz XLMCYBLRNISZDK-ZETCQYMHSA-N 1 3 219.310 -1.289 20 0 BAADHO CN1CCN(S(=O)(=O)C2CNC2)[C@H](C[NH3+])C1 ZINC000923578051 644512072 /nfs/dbraw/zinc/51/20/72/644512072.db2.gz XGPVTVIFWLFLJO-MRVPVSSYSA-N 1 3 248.352 -2.137 20 0 BAADHO CN1CCN(S(=O)(=O)C2CNC2)[C@@H](C[NH3+])C1 ZINC000923578052 644511887 /nfs/dbraw/zinc/51/18/87/644511887.db2.gz XGPVTVIFWLFLJO-QMMMGPOBSA-N 1 3 248.352 -2.137 20 0 BAADHO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)C2CNC2)CCO1 ZINC000923578357 644512325 /nfs/dbraw/zinc/51/23/25/644512325.db2.gz YSGBBQWCTXCCCA-APPZFPTMSA-N 1 3 249.336 -1.664 20 0 BAADHO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)C2CNC2)CCO1 ZINC000923578360 644512068 /nfs/dbraw/zinc/51/20/68/644512068.db2.gz YSGBBQWCTXCCCA-CBAPKCEASA-N 1 3 249.336 -1.664 20 0 BAADHO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)C2CNC2)CCO1 ZINC000923578362 644512399 /nfs/dbraw/zinc/51/23/99/644512399.db2.gz YSGBBQWCTXCCCA-IONNQARKSA-N 1 3 249.336 -1.664 20 0 BAADHO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)C2CNC2)CCO1 ZINC000923578363 644511819 /nfs/dbraw/zinc/51/18/19/644511819.db2.gz YSGBBQWCTXCCCA-VXNVDRBHSA-N 1 3 249.336 -1.664 20 0 BAADHO O=S(=O)(C1CNC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000923631694 645761968 /nfs/dbraw/zinc/76/19/68/645761968.db2.gz AQILOZKOBQEQMN-JTQLQIEISA-N 1 3 245.348 -1.027 20 0 BAADHO O=S(=O)(C1CNC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923631696 645762361 /nfs/dbraw/zinc/76/23/61/645762361.db2.gz AQILOZKOBQEQMN-SNVBAGLBSA-N 1 3 245.348 -1.027 20 0 BAADHO C[C@H](C[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923631771 645762268 /nfs/dbraw/zinc/76/22/68/645762268.db2.gz BLMZRKGEISETRB-SSDOTTSWSA-N 1 3 222.314 -1.927 20 0 BAADHO C[C@@H](C[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923632638 645761910 /nfs/dbraw/zinc/76/19/10/645761910.db2.gz BLMZRKGEISETRB-ZETCQYMHSA-N 1 3 222.314 -1.927 20 0 BAADHO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)C3CNC3)C[C@H]12 ZINC000923633239 712625358 /nfs/dbraw/zinc/62/53/58/712625358.db2.gz IFLRCVIMPJNDLN-FKTZTGRPSA-N 1 3 245.348 -1.043 20 0 BAADHO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)C3CNC3)C[C@@H]12 ZINC000923633242 712625390 /nfs/dbraw/zinc/62/53/90/712625390.db2.gz IFLRCVIMPJNDLN-FXBDTBDDSA-N 1 3 245.348 -1.043 20 0 BAADHO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)C3CNC3)C[C@@H]12 ZINC000923633246 712625345 /nfs/dbraw/zinc/62/53/45/712625345.db2.gz IFLRCVIMPJNDLN-SZEHBUNVSA-N 1 3 245.348 -1.043 20 0 BAADHO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)C3CNC3)C[C@H]12 ZINC000923633250 712625383 /nfs/dbraw/zinc/62/53/83/712625383.db2.gz IFLRCVIMPJNDLN-UJNFCWOMSA-N 1 3 245.348 -1.043 20 0 BAADHO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923633472 645763665 /nfs/dbraw/zinc/76/36/65/645763665.db2.gz AFATVSPQMZESFR-HTQZYQBOSA-N 1 3 233.337 -1.043 20 0 BAADHO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923633474 645763752 /nfs/dbraw/zinc/76/37/52/645763752.db2.gz AFATVSPQMZESFR-JGVFFNPUSA-N 1 3 233.337 -1.043 20 0 BAADHO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923633477 645763717 /nfs/dbraw/zinc/76/37/17/645763717.db2.gz AFATVSPQMZESFR-SFYZADRCSA-N 1 3 233.337 -1.043 20 0 BAADHO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923633480 645763705 /nfs/dbraw/zinc/76/37/05/645763705.db2.gz AFATVSPQMZESFR-YUMQZZPRSA-N 1 3 233.337 -1.043 20 0 BAADHO C[C@@H]1CN(S(=O)(=O)N2CCNCC2)C[C@@H]1[NH3+] ZINC000923634080 712625393 /nfs/dbraw/zinc/62/53/93/712625393.db2.gz BUTKIYFKFUGLLH-BDAKNGLRSA-N 1 3 248.352 -1.585 20 0 BAADHO C[C@H]1CN(S(=O)(=O)N2CCNCC2)C[C@H]1[NH3+] ZINC000923634084 712625397 /nfs/dbraw/zinc/62/53/97/712625397.db2.gz BUTKIYFKFUGLLH-DTWKUNHWSA-N 1 3 248.352 -1.585 20 0 BAADHO C[C@H]1CN(S(=O)(=O)N2CCNCC2)C[C@@H]1[NH3+] ZINC000923634086 712625367 /nfs/dbraw/zinc/62/53/67/712625367.db2.gz BUTKIYFKFUGLLH-IUCAKERBSA-N 1 3 248.352 -1.585 20 0 BAADHO C[C@@H]1CN(S(=O)(=O)N2CCNCC2)C[C@H]1[NH3+] ZINC000923634088 712625402 /nfs/dbraw/zinc/62/54/02/712625402.db2.gz BUTKIYFKFUGLLH-RKDXNWHRSA-N 1 3 248.352 -1.585 20 0 BAADHO [NH3+]C[C@@H]1CN(S(=O)(=O)C2CNC2)CCO1 ZINC000923634408 712625667 /nfs/dbraw/zinc/62/56/67/712625667.db2.gz NVGYDTIHCLAVOO-SSDOTTSWSA-N 1 3 235.309 -2.053 20 0 BAADHO [NH3+]C[C@H]1CN(S(=O)(=O)C2CNC2)CCO1 ZINC000923634415 712625655 /nfs/dbraw/zinc/62/56/55/712625655.db2.gz NVGYDTIHCLAVOO-ZETCQYMHSA-N 1 3 235.309 -2.053 20 0 BAADHO C[C@@H](C[NH3+])CNS(=O)(=O)C1CNC1 ZINC000923634469 712625638 /nfs/dbraw/zinc/62/56/38/712625638.db2.gz KHPRWIXWUDFQIJ-LURJTMIESA-N 1 3 207.299 -1.528 20 0 BAADHO C[C@H](C[NH3+])CNS(=O)(=O)C1CNC1 ZINC000923634473 712625673 /nfs/dbraw/zinc/62/56/73/712625673.db2.gz KHPRWIXWUDFQIJ-ZCFIWIBFSA-N 1 3 207.299 -1.528 20 0 BAADHO [NH3+][C@H](CNS(=O)(=O)N1CCNCC1)C1CC1 ZINC000923634984 645764831 /nfs/dbraw/zinc/76/48/31/645764831.db2.gz LZYIRFVDKFSZET-SECBINFHSA-N 1 3 248.352 -1.537 20 0 BAADHO [NH3+][C@@H](CNS(=O)(=O)N1CCNCC1)C1CC1 ZINC000923634988 645765162 /nfs/dbraw/zinc/76/51/62/645765162.db2.gz LZYIRFVDKFSZET-VIFPVBQESA-N 1 3 248.352 -1.537 20 0 BAADHO [NH3+]C1(CNS(=O)(=O)C2CNC2)CCC1 ZINC000923635091 645765726 /nfs/dbraw/zinc/76/57/26/645765726.db2.gz MEWBDAADZYATDV-UHFFFAOYSA-N 1 3 219.310 -1.241 20 0 BAADHO C[C@H](CC[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923635463 645766155 /nfs/dbraw/zinc/76/61/55/645766155.db2.gz IQTMTCNBXOLWOX-MRVPVSSYSA-N 1 3 236.341 -1.537 20 0 BAADHO C[C@@H](CC[NH3+])NS(=O)(=O)N1CCNCC1 ZINC000923635464 645766375 /nfs/dbraw/zinc/76/63/75/645766375.db2.gz IQTMTCNBXOLWOX-QMMMGPOBSA-N 1 3 236.341 -1.537 20 0 BAADHO [NH3+][C@H](CNS(=O)(=O)C1CNC1)C1CC1 ZINC000923635497 645765995 /nfs/dbraw/zinc/76/59/95/645765995.db2.gz NLLPYVUOMZHJSS-MRVPVSSYSA-N 1 3 219.310 -1.385 20 0 BAADHO [NH3+][C@@H](CNS(=O)(=O)C1CNC1)C1CC1 ZINC000923635499 645766333 /nfs/dbraw/zinc/76/63/33/645766333.db2.gz NLLPYVUOMZHJSS-QMMMGPOBSA-N 1 3 219.310 -1.385 20 0 BAADHO C[NH2+][C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923635871 645766357 /nfs/dbraw/zinc/76/63/57/645766357.db2.gz IQUGEEVKADQCJM-MRVPVSSYSA-N 1 3 233.337 -1.028 20 0 BAADHO C[NH2+][C@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923635873 645766422 /nfs/dbraw/zinc/76/64/22/645766422.db2.gz IQUGEEVKADQCJM-QMMMGPOBSA-N 1 3 233.337 -1.028 20 0 BAADHO [NH3+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)C1CNC1 ZINC000923635972 645765941 /nfs/dbraw/zinc/76/59/41/645765941.db2.gz KTMWSVINDVHQRF-BQBZGAKWSA-N 1 3 237.300 -1.341 20 0 BAADHO C[C@H](C[NH3+])CNS(=O)(=O)N1CCNCC1 ZINC000923636159 645766267 /nfs/dbraw/zinc/76/62/67/645766267.db2.gz QLUJVJGCEAQAMW-MRVPVSSYSA-N 1 3 236.341 -1.679 20 0 BAADHO C[C@@H](C[NH3+])CNS(=O)(=O)N1CCNCC1 ZINC000923636161 645766225 /nfs/dbraw/zinc/76/62/25/645766225.db2.gz QLUJVJGCEAQAMW-QMMMGPOBSA-N 1 3 236.341 -1.679 20 0 BAADHO [NH3+]C1(CNS(=O)(=O)N2CCNCC2)CCC1 ZINC000923636339 645766197 /nfs/dbraw/zinc/76/61/97/645766197.db2.gz SUQYKOCJNJTSTJ-UHFFFAOYSA-N 1 3 248.352 -1.393 20 0 BAADHO [NH3+][C@H]1C[C@@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000923636645 645766132 /nfs/dbraw/zinc/76/61/32/645766132.db2.gz MLCBWZTUAZMLTB-OCAPTIKFSA-N 1 3 234.325 -1.784 20 0 BAADHO [NH3+][C@H]1C[C@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000923636646 645766392 /nfs/dbraw/zinc/76/63/92/645766392.db2.gz MLCBWZTUAZMLTB-ZKCHVHJHSA-N 1 3 234.325 -1.784 20 0 BAADHO CC[NH2+][C@H](C)CNS(=O)(=O)C1CNC1 ZINC000923636968 645766960 /nfs/dbraw/zinc/76/69/60/645766960.db2.gz SCRINQWPAFHHQR-SSDOTTSWSA-N 1 3 221.326 -1.124 20 0 BAADHO COCC[NH2+]CCNS(=O)(=O)C1CNC1 ZINC000923636975 645766849 /nfs/dbraw/zinc/76/68/49/645766849.db2.gz SQDBOVDCRSVOJH-UHFFFAOYSA-N 1 3 237.325 -1.886 20 0 BAADHO O=S(=O)(C1CNC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000923636980 645767065 /nfs/dbraw/zinc/76/70/65/645767065.db2.gz SSVYQDYYIIEFGC-OCAPTIKFSA-N 1 3 231.321 -1.561 20 0 BAADHO [NH3+]CC1CC(NS(=O)(=O)C2CNC2)C1 ZINC000923637112 645766883 /nfs/dbraw/zinc/76/68/83/645766883.db2.gz OOGUQPBYVQFURE-UHFFFAOYSA-N 1 3 219.310 -1.385 20 0 BAADHO C[C@@H](CC[NH3+])NS(=O)(=O)C1CNC1 ZINC000923637793 645774416 /nfs/dbraw/zinc/77/44/16/645774416.db2.gz UBAJCNDHYOICLF-LURJTMIESA-N 1 3 207.299 -1.385 20 0 BAADHO C[C@H](CC[NH3+])NS(=O)(=O)C1CNC1 ZINC000923637794 645774443 /nfs/dbraw/zinc/77/44/43/645774443.db2.gz UBAJCNDHYOICLF-ZCFIWIBFSA-N 1 3 207.299 -1.385 20 0 BAADHO C[C@@H]1CN(S(=O)(=O)C2CNC2)C[C@H]1[NH3+] ZINC000923637839 645774569 /nfs/dbraw/zinc/77/45/69/645774569.db2.gz UYMPOXRYKPBVPM-HTRCEHHLSA-N 1 3 219.310 -1.433 20 0 BAADHO C[C@H]1CN(S(=O)(=O)C2CNC2)C[C@H]1[NH3+] ZINC000923637840 645774431 /nfs/dbraw/zinc/77/44/31/645774431.db2.gz UYMPOXRYKPBVPM-POYBYMJQSA-N 1 3 219.310 -1.433 20 0 BAADHO C[C@@H]1CN(S(=O)(=O)C2CNC2)C[C@@H]1[NH3+] ZINC000923637841 645774584 /nfs/dbraw/zinc/77/45/84/645774584.db2.gz UYMPOXRYKPBVPM-SVRRBLITSA-N 1 3 219.310 -1.433 20 0 BAADHO C[C@H]1CN(S(=O)(=O)C2CNC2)C[C@@H]1[NH3+] ZINC000923637842 645774705 /nfs/dbraw/zinc/77/47/05/645774705.db2.gz UYMPOXRYKPBVPM-XPUUQOCRSA-N 1 3 219.310 -1.433 20 0 BAADHO O=S(=O)(NCC1=CC[NH2+]CC1)C1CNC1 ZINC000923638082 645775258 /nfs/dbraw/zinc/77/52/58/645775258.db2.gz CFFLMNAIQMWQNI-UHFFFAOYSA-N 1 3 231.321 -1.203 20 0 BAADHO O=S(=O)(NC[C@@H]1CC[NH2+]C1)C1CNC1 ZINC000923638535 645775288 /nfs/dbraw/zinc/77/52/88/645775288.db2.gz OBMBBNIUZIEPBI-SSDOTTSWSA-N 1 3 219.310 -1.513 20 0 BAADHO O=S(=O)(NC[C@H]1CC[NH2+]C1)C1CNC1 ZINC000923638536 645775389 /nfs/dbraw/zinc/77/53/89/645775389.db2.gz OBMBBNIUZIEPBI-ZETCQYMHSA-N 1 3 219.310 -1.513 20 0 BAADHO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)C1CNC1 ZINC000923639058 645775184 /nfs/dbraw/zinc/77/51/84/645775184.db2.gz WKCGMQLJEUFIQC-APPZFPTMSA-N 1 3 233.337 -1.124 20 0 BAADHO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)C1CNC1 ZINC000923639059 645775244 /nfs/dbraw/zinc/77/52/44/645775244.db2.gz WKCGMQLJEUFIQC-CBAPKCEASA-N 1 3 233.337 -1.124 20 0 BAADHO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)C1CNC1 ZINC000923639061 645775238 /nfs/dbraw/zinc/77/52/38/645775238.db2.gz WKCGMQLJEUFIQC-IONNQARKSA-N 1 3 233.337 -1.124 20 0 BAADHO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)C1CNC1 ZINC000923639062 645775333 /nfs/dbraw/zinc/77/53/33/645775333.db2.gz WKCGMQLJEUFIQC-VXNVDRBHSA-N 1 3 233.337 -1.124 20 0 BAADHO C[NH2+][C@@H](C)CNS(=O)(=O)C1CNC1 ZINC000923639336 645776082 /nfs/dbraw/zinc/77/60/82/645776082.db2.gz LDBGVOFWPYYPFS-LURJTMIESA-N 1 3 207.299 -1.515 20 0 BAADHO C[NH2+][C@H](C)CNS(=O)(=O)C1CNC1 ZINC000923639337 645776011 /nfs/dbraw/zinc/77/60/11/645776011.db2.gz LDBGVOFWPYYPFS-ZCFIWIBFSA-N 1 3 207.299 -1.515 20 0 BAADHO C[C@]1(C[NH3+])CCN(S(=O)(=O)C2CNC2)C1 ZINC000923639552 645775959 /nfs/dbraw/zinc/77/59/59/645775959.db2.gz QAHAPAABIILCCX-SECBINFHSA-N 1 3 233.337 -1.041 20 0 BAADHO C[C@@]1(C[NH3+])CCN(S(=O)(=O)C2CNC2)C1 ZINC000923639553 645776155 /nfs/dbraw/zinc/77/61/55/645776155.db2.gz QAHAPAABIILCCX-VIFPVBQESA-N 1 3 233.337 -1.041 20 0 BAADHO CN(C1C[NH2+]C1)S(=O)(=O)N1CCNCC1 ZINC000923639910 645778785 /nfs/dbraw/zinc/77/87/85/645778785.db2.gz GEVVSFLJGPJROV-UHFFFAOYSA-N 1 3 234.325 -1.960 20 0 BAADHO CC[C@H]([NH3+])CNS(=O)(=O)C1CNC1 ZINC000923640342 645779657 /nfs/dbraw/zinc/77/96/57/645779657.db2.gz CXPCXKVCPMMAAW-LURJTMIESA-N 1 3 207.299 -1.385 20 0 BAADHO CC[C@@H]([NH3+])CNS(=O)(=O)C1CNC1 ZINC000923640343 645779965 /nfs/dbraw/zinc/77/99/65/645779965.db2.gz CXPCXKVCPMMAAW-ZCFIWIBFSA-N 1 3 207.299 -1.385 20 0 BAADHO O=S(=O)(C1CNC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000923640515 645779719 /nfs/dbraw/zinc/77/97/19/645779719.db2.gz FHYTYZYVNDHIBZ-WCBMZHEXSA-N 1 3 245.348 -1.028 20 0 BAADHO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)C1CNC1 ZINC000923640600 645779837 /nfs/dbraw/zinc/77/98/37/645779837.db2.gz ZZMQVTJPKLFZQP-APPZFPTMSA-N 1 3 233.337 -1.124 20 0 BAADHO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)C1CNC1 ZINC000923640603 645779976 /nfs/dbraw/zinc/77/99/76/645779976.db2.gz ZZMQVTJPKLFZQP-CBAPKCEASA-N 1 3 233.337 -1.124 20 0 BAADHO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)C1CNC1 ZINC000923640604 645779858 /nfs/dbraw/zinc/77/98/58/645779858.db2.gz ZZMQVTJPKLFZQP-IONNQARKSA-N 1 3 233.337 -1.124 20 0 BAADHO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)C1CNC1 ZINC000923640607 645779757 /nfs/dbraw/zinc/77/97/57/645779757.db2.gz ZZMQVTJPKLFZQP-VXNVDRBHSA-N 1 3 233.337 -1.124 20 0 BAADHO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)C1CNC1 ZINC000923640651 645779786 /nfs/dbraw/zinc/77/97/86/645779786.db2.gz MAHLGEWXZQESLA-HTRCEHHLSA-N 1 3 219.310 -1.291 20 0 BAADHO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)C1CNC1 ZINC000923640652 645779929 /nfs/dbraw/zinc/77/99/29/645779929.db2.gz MAHLGEWXZQESLA-POYBYMJQSA-N 1 3 219.310 -1.291 20 0 BAADHO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)C1CNC1 ZINC000923640653 645779743 /nfs/dbraw/zinc/77/97/43/645779743.db2.gz MAHLGEWXZQESLA-SVRRBLITSA-N 1 3 219.310 -1.291 20 0 BAADHO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)C1CNC1 ZINC000923640654 645779681 /nfs/dbraw/zinc/77/96/81/645779681.db2.gz MAHLGEWXZQESLA-XPUUQOCRSA-N 1 3 219.310 -1.291 20 0 BAADHO C[C@@H](NS(=O)(=O)C1CNC1)[C@H](C)[NH3+] ZINC000923641092 645780545 /nfs/dbraw/zinc/78/05/45/645780545.db2.gz JHYMLMSXDJLWEV-NTSWFWBYSA-N 1 3 207.299 -1.387 20 0 BAADHO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)C1CNC1 ZINC000923641098 645780561 /nfs/dbraw/zinc/78/05/61/645780561.db2.gz JHYMLMSXDJLWEV-PHDIDXHHSA-N 1 3 207.299 -1.387 20 0 BAADHO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)C1CNC1 ZINC000923641099 645780613 /nfs/dbraw/zinc/78/06/13/645780613.db2.gz JHYMLMSXDJLWEV-RITPCOANSA-N 1 3 207.299 -1.387 20 0 BAADHO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)C1CNC1 ZINC000923641102 645780363 /nfs/dbraw/zinc/78/03/63/645780363.db2.gz JHYMLMSXDJLWEV-WDSKDSINSA-N 1 3 207.299 -1.387 20 0 BAADHO CN(C1CC([NH3+])C1)S(=O)(=O)N1CCNCC1 ZINC000923641282 645780513 /nfs/dbraw/zinc/78/05/13/645780513.db2.gz JUXOIMJUVLPGKE-UHFFFAOYSA-N 1 3 248.352 -1.442 20 0 BAADHO CC[C@@H]([NH3+])CNS(=O)(=O)N1CCNCC1 ZINC000923641682 645779634 /nfs/dbraw/zinc/77/96/34/645779634.db2.gz MPWHIVTYEWXYLI-MRVPVSSYSA-N 1 3 236.341 -1.537 20 0 BAADHO CC[C@H]([NH3+])CNS(=O)(=O)N1CCNCC1 ZINC000923641684 645779893 /nfs/dbraw/zinc/77/98/93/645779893.db2.gz MPWHIVTYEWXYLI-QMMMGPOBSA-N 1 3 236.341 -1.537 20 0 BAADHO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)N1CCNCC1 ZINC000923641736 645779942 /nfs/dbraw/zinc/77/99/42/645779942.db2.gz XRDGTUQZNLNYQI-BDAKNGLRSA-N 1 3 248.352 -1.442 20 0 BAADHO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)N1CCNCC1 ZINC000923641738 645779771 /nfs/dbraw/zinc/77/97/71/645779771.db2.gz XRDGTUQZNLNYQI-DTWKUNHWSA-N 1 3 248.352 -1.442 20 0 BAADHO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)N1CCNCC1 ZINC000923641740 645779711 /nfs/dbraw/zinc/77/97/11/645779711.db2.gz XRDGTUQZNLNYQI-IUCAKERBSA-N 1 3 248.352 -1.442 20 0 BAADHO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)N1CCNCC1 ZINC000923641742 645780497 /nfs/dbraw/zinc/78/04/97/645780497.db2.gz XRDGTUQZNLNYQI-RKDXNWHRSA-N 1 3 248.352 -1.442 20 0 BAADHO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)C1CNC1 ZINC000923642060 645780585 /nfs/dbraw/zinc/78/05/85/645780585.db2.gz ZLIQKUCABGJPRS-SECBINFHSA-N 1 3 233.337 -1.043 20 0 BAADHO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)C1CNC1 ZINC000923642061 645780469 /nfs/dbraw/zinc/78/04/69/645780469.db2.gz ZLIQKUCABGJPRS-VIFPVBQESA-N 1 3 233.337 -1.043 20 0 BAADHO O=S(=O)(C1CNC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923642230 645781135 /nfs/dbraw/zinc/78/11/35/645781135.db2.gz SFJQKTWEMROHII-APPZFPTMSA-N 1 3 231.321 -1.418 20 0 BAADHO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)N1CCNCC1 ZINC000923642836 645782436 /nfs/dbraw/zinc/78/24/36/645782436.db2.gz XLDJJVFTYVPHJC-HTQZYQBOSA-N 1 3 236.341 -1.538 20 0 BAADHO C[C@@H](NS(=O)(=O)N1CCNCC1)[C@H](C)[NH3+] ZINC000923642837 645781924 /nfs/dbraw/zinc/78/19/24/645781924.db2.gz XLDJJVFTYVPHJC-JGVFFNPUSA-N 1 3 236.341 -1.538 20 0 BAADHO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)N1CCNCC1 ZINC000923642838 645782114 /nfs/dbraw/zinc/78/21/14/645782114.db2.gz XLDJJVFTYVPHJC-SFYZADRCSA-N 1 3 236.341 -1.538 20 0 BAADHO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)N1CCNCC1 ZINC000923642839 645781853 /nfs/dbraw/zinc/78/18/53/645781853.db2.gz XLDJJVFTYVPHJC-YUMQZZPRSA-N 1 3 236.341 -1.538 20 0 BAADHO O=S(=O)(NC[C@H]1C[NH2+]CCCO1)C1CNC1 ZINC000923643420 645782187 /nfs/dbraw/zinc/78/21/87/645782187.db2.gz BNKSCXKOWGIASE-MRVPVSSYSA-N 1 3 249.336 -1.744 20 0 BAADHO O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)C1CNC1 ZINC000923643421 645781703 /nfs/dbraw/zinc/78/17/03/645781703.db2.gz BNKSCXKOWGIASE-QMMMGPOBSA-N 1 3 249.336 -1.744 20 0 BAADHO O=S(=O)(NC[C@H]1C[NH2+]CCO1)C1CNC1 ZINC000923645119 645782928 /nfs/dbraw/zinc/78/29/28/645782928.db2.gz FDNVDJOVOJQRQL-SSDOTTSWSA-N 1 3 235.309 -2.134 20 0 BAADHO O=S(=O)(NC[C@@H]1C[NH2+]CCO1)C1CNC1 ZINC000923645122 645782978 /nfs/dbraw/zinc/78/29/78/645782978.db2.gz FDNVDJOVOJQRQL-ZETCQYMHSA-N 1 3 235.309 -2.134 20 0 BAADHO O=S(=O)(C1CNC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923645439 645783011 /nfs/dbraw/zinc/78/30/11/645783011.db2.gz NUKVQHAVFBUTDJ-PSASIEDQSA-N 1 3 245.348 -1.028 20 0 BAADHO O=S(=O)(C1CNC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923645441 645783161 /nfs/dbraw/zinc/78/31/61/645783161.db2.gz NUKVQHAVFBUTDJ-SCZZXKLOSA-N 1 3 245.348 -1.028 20 0 BAADHO O=S(=O)(C1CNC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923645444 645783003 /nfs/dbraw/zinc/78/30/03/645783003.db2.gz NUKVQHAVFBUTDJ-WCBMZHEXSA-N 1 3 245.348 -1.028 20 0 BAADHO O=S(=O)(C1CNC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923645446 645783063 /nfs/dbraw/zinc/78/30/63/645783063.db2.gz NUKVQHAVFBUTDJ-WPRPVWTQSA-N 1 3 245.348 -1.028 20 0 BAADHO O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)C1CNC1 ZINC000923645984 645783817 /nfs/dbraw/zinc/78/38/17/645783817.db2.gz QQNDWVDHQCSCFD-BQBZGAKWSA-N 1 3 237.300 -1.422 20 0 BAADHO [NH3+]C[C@@H]1CN(S(=O)(=O)C2CNC2)CCCO1 ZINC000923647586 645784421 /nfs/dbraw/zinc/78/44/21/645784421.db2.gz NDTLPWNOUYZPDP-MRVPVSSYSA-N 1 3 249.336 -1.662 20 0 BAADHO [NH3+]C[C@H]1CN(S(=O)(=O)C2CNC2)CCCO1 ZINC000923647588 645784614 /nfs/dbraw/zinc/78/46/14/645784614.db2.gz NDTLPWNOUYZPDP-QMMMGPOBSA-N 1 3 249.336 -1.662 20 0 BAADHO [NH3+]CC12CC(C1)CN2S(=O)(=O)C1CNC1 ZINC000923655512 645790065 /nfs/dbraw/zinc/79/00/65/645790065.db2.gz RYKMOQVLMJACLB-UHFFFAOYSA-N 1 3 231.321 -1.289 20 0 BAADHO CN(CC(C)(C)[NH3+])S(=O)(=O)C1CNC1 ZINC000923656240 645791033 /nfs/dbraw/zinc/79/10/33/645791033.db2.gz UTDRKGLJWFMRBH-UHFFFAOYSA-N 1 3 221.326 -1.043 20 0 BAADHO O=S(=O)(NCC12CC(C1)C[NH2+]2)C1CNC1 ZINC000923657765 645795597 /nfs/dbraw/zinc/79/55/97/645795597.db2.gz GBRVANVDFYKQIT-UHFFFAOYSA-N 1 3 231.321 -1.370 20 0 BAADHO C[NH2+]C[C@H](C)NS(=O)(=O)C1CNC1 ZINC000923657909 645795633 /nfs/dbraw/zinc/79/56/33/645795633.db2.gz BDGXZGIHUKMWGX-LURJTMIESA-N 1 3 207.299 -1.515 20 0 BAADHO C[NH2+]C[C@@H](C)NS(=O)(=O)C1CNC1 ZINC000923657910 645795667 /nfs/dbraw/zinc/79/56/67/645795667.db2.gz BDGXZGIHUKMWGX-ZCFIWIBFSA-N 1 3 207.299 -1.515 20 0 BAADHO C[NH2+]C[C@@H](C)NS(=O)(=O)N1CCNCC1 ZINC000923658494 645797210 /nfs/dbraw/zinc/79/72/10/645797210.db2.gz GOUPKRAZQBWJRN-MRVPVSSYSA-N 1 3 236.341 -1.666 20 0 BAADHO C[NH2+]C[C@H](C)NS(=O)(=O)N1CCNCC1 ZINC000923658495 645796375 /nfs/dbraw/zinc/79/63/75/645796375.db2.gz GOUPKRAZQBWJRN-QMMMGPOBSA-N 1 3 236.341 -1.666 20 0 BAADHO CCN(CC[NH3+])S(=O)(=O)N1CCNCC1 ZINC000923659175 712631158 /nfs/dbraw/zinc/63/11/58/712631158.db2.gz GPWKHUKOGPDSNX-UHFFFAOYSA-N 1 3 236.341 -1.583 20 0 BAADHO CCN(CC[NH3+])S(=O)(=O)C1CNC1 ZINC000923659810 645799666 /nfs/dbraw/zinc/79/96/66/645799666.db2.gz OLLWETZXPIESJH-UHFFFAOYSA-N 1 3 207.299 -1.431 20 0 BAADHO C[C@@]1(NS(=O)(=O)C2CNC2)CC[NH2+]C1 ZINC000923660165 645799138 /nfs/dbraw/zinc/79/91/38/645799138.db2.gz UEDXTYCCHOKBCC-MRVPVSSYSA-N 1 3 219.310 -1.370 20 0 BAADHO C[C@]1(NS(=O)(=O)C2CNC2)CC[NH2+]C1 ZINC000923660166 645798783 /nfs/dbraw/zinc/79/87/83/645798783.db2.gz UEDXTYCCHOKBCC-QMMMGPOBSA-N 1 3 219.310 -1.370 20 0 BAADHO C[C@@]1(NS(=O)(=O)N2CCNCC2)CC[NH2+]C1 ZINC000923660195 645798906 /nfs/dbraw/zinc/79/89/06/645798906.db2.gz VBEVQRAQOOXSEB-SECBINFHSA-N 1 3 248.352 -1.522 20 0 BAADHO C[C@]1(NS(=O)(=O)N2CCNCC2)CC[NH2+]C1 ZINC000923660196 645798697 /nfs/dbraw/zinc/79/86/97/645798697.db2.gz VBEVQRAQOOXSEB-VIFPVBQESA-N 1 3 248.352 -1.522 20 0 BAADHO C[C@@H]([NH3+])CN(C)S(=O)(=O)N1CCNCC1 ZINC000923662207 645807889 /nfs/dbraw/zinc/80/78/89/645807889.db2.gz BKWUWOYQJZZBLA-MRVPVSSYSA-N 1 3 236.341 -1.585 20 0 BAADHO C[C@H]([NH3+])CN(C)S(=O)(=O)N1CCNCC1 ZINC000923662208 645807677 /nfs/dbraw/zinc/80/76/77/645807677.db2.gz BKWUWOYQJZZBLA-QMMMGPOBSA-N 1 3 236.341 -1.585 20 0 BAADHO CN(CCOCC[NH3+])S(=O)(=O)C1CNC1 ZINC000923662756 645808294 /nfs/dbraw/zinc/80/82/94/645808294.db2.gz NYALZIGCVRLIKR-UHFFFAOYSA-N 1 3 237.325 -1.805 20 0 BAADHO C[NH2+]CCOCCNS(=O)(=O)C1CNC1 ZINC000923663178 645808779 /nfs/dbraw/zinc/80/87/79/645808779.db2.gz VIAMGSISNYMJFQ-UHFFFAOYSA-N 1 3 237.325 -1.886 20 0 BAADHO [NH3+]CCCOCCNS(=O)(=O)C1CNC1 ZINC000923663327 645808827 /nfs/dbraw/zinc/80/88/27/645808827.db2.gz QHTUXIDNQNONQE-UHFFFAOYSA-N 1 3 237.325 -1.757 20 0 BAADHO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)C1CNC1 ZINC000923664387 645810218 /nfs/dbraw/zinc/81/02/18/645810218.db2.gz QBNJVKKPPYNQSM-POYBYMJQSA-N 1 3 219.310 -1.372 20 0 BAADHO C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)C1CNC1 ZINC000923665515 645810320 /nfs/dbraw/zinc/81/03/20/645810320.db2.gz BBPMUXVZCKHPCG-BQBZGAKWSA-N 1 3 219.310 -1.291 20 0 BAADHO C[C@H]1C[C@@H]([NH3+])CN1S(=O)(=O)C1CNC1 ZINC000923665516 645810049 /nfs/dbraw/zinc/81/00/49/645810049.db2.gz BBPMUXVZCKHPCG-NKWVEPMBSA-N 1 3 219.310 -1.291 20 0 BAADHO C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)C1CNC1 ZINC000923665517 645809368 /nfs/dbraw/zinc/80/93/68/645809368.db2.gz BBPMUXVZCKHPCG-RNFRBKRXSA-N 1 3 219.310 -1.291 20 0 BAADHO C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)C1CNC1 ZINC000923665518 645810125 /nfs/dbraw/zinc/81/01/25/645810125.db2.gz BBPMUXVZCKHPCG-RQJHMYQMSA-N 1 3 219.310 -1.291 20 0 BAADHO O=S(=O)(C1CNC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000923665702 645810287 /nfs/dbraw/zinc/81/02/87/645810287.db2.gz JMFKETJIDWLYAR-BQBZGAKWSA-N 1 3 217.294 -1.666 20 0 BAADHO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)N1CCNCC1 ZINC000923665782 645810326 /nfs/dbraw/zinc/81/03/26/645810326.db2.gz XUWCBNPLCGOAQQ-DTWKUNHWSA-N 1 3 248.352 -1.524 20 0 BAADHO C[C@H]([NH3+])CN(C)S(=O)(=O)C1CNC1 ZINC000923666004 645810312 /nfs/dbraw/zinc/81/03/12/645810312.db2.gz ZWHRPGIWKAHEAI-LURJTMIESA-N 1 3 207.299 -1.433 20 0 BAADHO C[C@@H]([NH3+])CN(C)S(=O)(=O)C1CNC1 ZINC000923666009 645810148 /nfs/dbraw/zinc/81/01/48/645810148.db2.gz ZWHRPGIWKAHEAI-ZCFIWIBFSA-N 1 3 207.299 -1.433 20 0 BAADHO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)C2CNC2)C1 ZINC000923667133 645810723 /nfs/dbraw/zinc/81/07/23/645810723.db2.gz QQZJTRJXGNLOKO-KNVOCYPGSA-N 1 3 219.310 -1.385 20 0 BAADHO [NH3+][C@H]1C[C@H](CNS(=O)(=O)C2CNC2)C1 ZINC000923667135 645810915 /nfs/dbraw/zinc/81/09/15/645810915.db2.gz QQZJTRJXGNLOKO-LJGSYFOKSA-N 1 3 219.310 -1.385 20 0 BAADHO C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)N1CCNCC1 ZINC000923667521 645810545 /nfs/dbraw/zinc/81/05/45/645810545.db2.gz NGUQOLDFWRVRJN-BDAKNGLRSA-N 1 3 248.352 -1.442 20 0 BAADHO C[C@H]1C[C@@H]([NH3+])CN1S(=O)(=O)N1CCNCC1 ZINC000923667524 645810876 /nfs/dbraw/zinc/81/08/76/645810876.db2.gz NGUQOLDFWRVRJN-DTWKUNHWSA-N 1 3 248.352 -1.442 20 0 BAADHO C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)N1CCNCC1 ZINC000923667526 645810653 /nfs/dbraw/zinc/81/06/53/645810653.db2.gz NGUQOLDFWRVRJN-IUCAKERBSA-N 1 3 248.352 -1.442 20 0 BAADHO C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)N1CCNCC1 ZINC000923667528 645810695 /nfs/dbraw/zinc/81/06/95/645810695.db2.gz NGUQOLDFWRVRJN-RKDXNWHRSA-N 1 3 248.352 -1.442 20 0 BAADHO [NH3+]C1CC(CNS(=O)(=O)C2CNC2)C1 ZINC000923671507 645813615 /nfs/dbraw/zinc/81/36/15/645813615.db2.gz QQZJTRJXGNLOKO-UHFFFAOYSA-N 1 3 219.310 -1.385 20 0 BAADHO C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)C1CNC1 ZINC000923672455 645815463 /nfs/dbraw/zinc/81/54/63/645815463.db2.gz DCPZFIKMKJNKLD-HTRCEHHLSA-N 1 3 219.310 -1.515 20 0 BAADHO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)C1CNC1)C2 ZINC000923672732 645814144 /nfs/dbraw/zinc/81/41/44/645814144.db2.gz XMFVOHCPLWWRPY-WCBMZHEXSA-N 1 3 245.348 -1.171 20 0 BAADHO C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)N1CCNCC1 ZINC000923672799 645814224 /nfs/dbraw/zinc/81/42/24/645814224.db2.gz GOPIOZMFMIKTOO-RKDXNWHRSA-N 1 3 248.352 -1.666 20 0 BAADHO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)C1CNC1 ZINC000923673755 645816620 /nfs/dbraw/zinc/81/66/20/645816620.db2.gz KXHXGYGGDMGEQB-MRVPVSSYSA-N 1 3 233.337 -1.028 20 0 BAADHO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)C1CNC1 ZINC000923673756 645817211 /nfs/dbraw/zinc/81/72/11/645817211.db2.gz KXHXGYGGDMGEQB-QMMMGPOBSA-N 1 3 233.337 -1.028 20 0 BAADHO C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)C1CNC1 ZINC000923675137 645817340 /nfs/dbraw/zinc/81/73/40/645817340.db2.gz YIFKJCGLOPWXEE-SFYZADRCSA-N 1 3 233.337 -1.267 20 0 BAADHO CC1(C)CN(S(=O)(=O)C2CNC2)C[C@H]1[NH3+] ZINC000923678156 645822428 /nfs/dbraw/zinc/82/24/28/645822428.db2.gz SPUCCIOYPYFWHB-MRVPVSSYSA-N 1 3 233.337 -1.043 20 0 BAADHO CC1(C)CN(S(=O)(=O)C2CNC2)C[C@@H]1[NH3+] ZINC000923678158 645822472 /nfs/dbraw/zinc/82/24/72/645822472.db2.gz SPUCCIOYPYFWHB-QMMMGPOBSA-N 1 3 233.337 -1.043 20 0 BAADHO [NH3+][C@]1(CO)CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923695089 712707543 /nfs/dbraw/zinc/70/75/43/712707543.db2.gz JOSOYWWGTZMAGS-SECBINFHSA-N 1 3 249.336 -1.926 20 0 BAADHO [NH3+][C@@]1(CO)CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923695098 712707549 /nfs/dbraw/zinc/70/75/49/712707549.db2.gz JOSOYWWGTZMAGS-VIFPVBQESA-N 1 3 249.336 -1.926 20 0 BAADHO O=S(=O)(C1CNC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923715540 645950421 /nfs/dbraw/zinc/95/04/21/645950421.db2.gz VTBVXUILHOBTAR-DTWKUNHWSA-N 1 3 245.348 -1.171 20 0 BAADHO C(N[C@@H]1C[NH2+]CCOC1)[C@H]1CNCCO1 ZINC000925709975 646433949 /nfs/dbraw/zinc/43/39/49/646433949.db2.gz VPKKVJMHYCOIAT-NXEZZACHSA-N 1 3 215.297 -1.447 20 0 BAADHO C(N[C@H]1C[NH2+]CCOC1)[C@@H]1CNCCO1 ZINC000925710004 646434383 /nfs/dbraw/zinc/43/43/83/646434383.db2.gz VPKKVJMHYCOIAT-UWVGGRQHSA-N 1 3 215.297 -1.447 20 0 BAADHO C(N[C@H]1C[NH2+]CCOC1)[C@H]1CNCCO1 ZINC000925710005 646435076 /nfs/dbraw/zinc/43/50/76/646435076.db2.gz VPKKVJMHYCOIAT-VHSXEESVSA-N 1 3 215.297 -1.447 20 0 BAADHO C(N[C@@H]1C[NH2+]CCOC1)[C@@H]1CNCCO1 ZINC000925710008 646435085 /nfs/dbraw/zinc/43/50/85/646435085.db2.gz VPKKVJMHYCOIAT-ZJUUUORDSA-N 1 3 215.297 -1.447 20 0 BAADHO