smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+](CCCNC1CC1)CC(C)C 37478572 537816017 /nfs/dbraw/zinc/81/60/17/537816017.db2.gz HPVWRETUAWJYOI-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[N@@H+](CCCNC1CC1)CC(C)C 37478572 537816021 /nfs/dbraw/zinc/81/60/21/537816021.db2.gz HPVWRETUAWJYOI-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO C1CCCN(CCC[NH2+]C2CC2)CC1 37478487 537817303 /nfs/dbraw/zinc/81/73/03/537817303.db2.gz MSMABBOUYXNGCP-UHFFFAOYSA-N 1 3 196.338 2.005 10 0 AEAEHO C1CCC[NH+](CCCNC2CC2)CC1 37478487 537817314 /nfs/dbraw/zinc/81/73/14/537817314.db2.gz MSMABBOUYXNGCP-UHFFFAOYSA-N 1 3 196.338 2.005 10 0 AEAEHO C[C@@H]1CCCCN1CCC[NH2+]C1CC1 37478470 537817381 /nfs/dbraw/zinc/81/73/81/537817381.db2.gz ZMYSVWCQNIBWDO-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H]1CCCC[N@@H+]1CCCNC1CC1 37478470 537817388 /nfs/dbraw/zinc/81/73/88/537817388.db2.gz ZMYSVWCQNIBWDO-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H]1CCCC[N@H+]1CCCNC1CC1 37478470 537817395 /nfs/dbraw/zinc/81/73/95/537817395.db2.gz ZMYSVWCQNIBWDO-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H]1CCCCN1CCC[NH2+]C1CC1 37478471 537817728 /nfs/dbraw/zinc/81/77/28/537817728.db2.gz ZMYSVWCQNIBWDO-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H]1CCCC[N@@H+]1CCCNC1CC1 37478471 537817736 /nfs/dbraw/zinc/81/77/36/537817736.db2.gz ZMYSVWCQNIBWDO-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H]1CCCC[N@H+]1CCCNC1CC1 37478471 537817744 /nfs/dbraw/zinc/81/77/44/537817744.db2.gz ZMYSVWCQNIBWDO-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CC[NH2+]C[C@H](CN)C1CCCCCC1 685947456 537819550 /nfs/dbraw/zinc/81/95/50/537819550.db2.gz VSQYRSJVPUIVFN-LBPRGKRZSA-N 1 3 198.354 2.141 10 0 AEAEHO CC[NH2+]C[C@@H](CN)C1CCCCCC1 685947451 537819901 /nfs/dbraw/zinc/81/99/01/537819901.db2.gz VSQYRSJVPUIVFN-GFCCVEGCSA-N 1 3 198.354 2.141 10 0 AEAEHO CN(C)C[C@H](C[NH3+])C1CCCCCC1 685947348 537820388 /nfs/dbraw/zinc/82/03/88/537820388.db2.gz UVNWMHCDAOICGL-LBPRGKRZSA-N 1 3 198.354 2.093 10 0 AEAEHO CN(C)C[C@@H](C[NH3+])C1CCCCCC1 685947346 537820977 /nfs/dbraw/zinc/82/09/77/537820977.db2.gz UVNWMHCDAOICGL-GFCCVEGCSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H]1CCCN1C[C@H]([NH3+])CC(C)C 37914186 537822506 /nfs/dbraw/zinc/82/25/06/537822506.db2.gz XMGHAFVLVSXFHX-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H]1CCCN1C[C@H]([NH3+])CC(C)C 37914185 537827076 /nfs/dbraw/zinc/82/70/76/537827076.db2.gz XMGHAFVLVSXFHX-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@@H+]1CCCCCCNCCC1 725262299 537929399 /nfs/dbraw/zinc/92/93/99/537929399.db2.gz PUKKCLCLLIWCRT-UHFFFAOYSA-N 1 3 198.354 2.252 10 0 AEAEHO CCC[N@H+]1CCCCCCNCCC1 725262299 537929406 /nfs/dbraw/zinc/92/94/06/537929406.db2.gz PUKKCLCLLIWCRT-UHFFFAOYSA-N 1 3 198.354 2.252 10 0 AEAEHO CCCN1CCCCCC[NH2+]CCC1 725262299 537929414 /nfs/dbraw/zinc/92/94/14/537929414.db2.gz PUKKCLCLLIWCRT-UHFFFAOYSA-N 1 3 198.354 2.252 10 0 AEAEHO CCCC[N@@H+]1CCCCCNCCC1 725262302 537929479 /nfs/dbraw/zinc/92/94/79/537929479.db2.gz QLTGTZRYDKXPMS-UHFFFAOYSA-N 1 3 198.354 2.252 10 0 AEAEHO CCCC[N@H+]1CCCCCNCCC1 725262302 537929486 /nfs/dbraw/zinc/92/94/86/537929486.db2.gz QLTGTZRYDKXPMS-UHFFFAOYSA-N 1 3 198.354 2.252 10 0 AEAEHO CCC[C@H](C)C[NH2+]CCCNC1CC1 163440589 538082592 /nfs/dbraw/zinc/08/25/92/538082592.db2.gz MYOMNVJPPDOEKG-NSHDSACASA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[C@@H](C)C[NH2+]CCCNC1CC1 163440481 538083375 /nfs/dbraw/zinc/08/33/75/538083375.db2.gz MYOMNVJPPDOEKG-LLVKDONJSA-N 1 3 198.354 2.154 10 0 AEAEHO CC(C)[C@H](C)C[NH2+][C@H]1CCC[C@@H](N)C1 223024908 538197363 /nfs/dbraw/zinc/19/73/63/538197363.db2.gz FLXQWEAJMFLAMP-UTUOFQBUSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@@H](N)C1 223024786 538198072 /nfs/dbraw/zinc/19/80/72/538198072.db2.gz FLXQWEAJMFLAMP-IJLUTSLNSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)C[C@H](C)NC[C@H]1CCCC[NH2+]1 232624238 538229655 /nfs/dbraw/zinc/22/96/55/538229655.db2.gz FAZBFHNXHMGLDM-NWDGAFQWSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[C@@H](C)NC[C@@H]1CCCC[NH2+]1 232584911 538228024 /nfs/dbraw/zinc/22/80/24/538228024.db2.gz FAZBFHNXHMGLDM-NEPJUHHUSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[C@@H](C)NC[C@H]1CCCC[NH2+]1 232585642 538229224 /nfs/dbraw/zinc/22/92/24/538229224.db2.gz FAZBFHNXHMGLDM-VXGBXAGGSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[C@H](C)NC[C@@H]1CCCC[NH2+]1 232623450 538230057 /nfs/dbraw/zinc/23/00/57/538230057.db2.gz FAZBFHNXHMGLDM-RYUDHWBXSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCN1CC[C@H](C[NH2+][C@H](C)CC)C1 249871230 538256431 /nfs/dbraw/zinc/25/64/31/538256431.db2.gz CQAGQJNTVZOOMZ-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCN1CC[C@@H](C[NH2+][C@H](C)CC)C1 249871229 538256614 /nfs/dbraw/zinc/25/66/14/538256614.db2.gz CQAGQJNTVZOOMZ-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[N@H+](CC(C)C)[C@@H]1CCN[C@H](C)C1 252969436 538282594 /nfs/dbraw/zinc/28/25/94/538282594.db2.gz ZCRKHPCZLAXKOD-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@@H+](CC(C)C)[C@@H]1CCN[C@H](C)C1 252969436 538282601 /nfs/dbraw/zinc/28/26/01/538282601.db2.gz ZCRKHPCZLAXKOD-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@H+](CC(C)C)[C@H]1CCN[C@H](C)C1 252969434 538285034 /nfs/dbraw/zinc/28/50/34/538285034.db2.gz ZCRKHPCZLAXKOD-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@@H+](CC(C)C)[C@H]1CCN[C@H](C)C1 252969434 538285035 /nfs/dbraw/zinc/28/50/35/538285035.db2.gz ZCRKHPCZLAXKOD-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)C[C@H](C)N[C@@H]1CCCC[NH2+]C1 388827370 538437833 /nfs/dbraw/zinc/43/78/33/538437833.db2.gz TWRSSPSBOBSNNV-NWDGAFQWSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[C@H](C)N[C@H]1CCCC[NH2+]C1 388827374 538437589 /nfs/dbraw/zinc/43/75/89/538437589.db2.gz TWRSSPSBOBSNNV-RYUDHWBXSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[C@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 388826215 538437685 /nfs/dbraw/zinc/43/76/85/538437685.db2.gz TTWVDLSKKONXGT-GRYCIOLGSA-N 1 3 198.354 2.151 10 0 AEAEHO CC(C)C[C@H](C)[NH2+][C@@H]1CCN[C@@H](C)C1 388826218 538437871 /nfs/dbraw/zinc/43/78/71/538437871.db2.gz TTWVDLSKKONXGT-SDDRHHMPSA-N 1 3 198.354 2.151 10 0 AEAEHO CC(C)C[C@H](C)[NH2+][C@H]1CCN[C@H](C)C1 388826224 538437895 /nfs/dbraw/zinc/43/78/95/538437895.db2.gz TTWVDLSKKONXGT-WOPDTQHZSA-N 1 3 198.354 2.151 10 0 AEAEHO CC(C)C[C@@H](C)N[C@@H]1CCCC[NH2+]C1 388827378 538438032 /nfs/dbraw/zinc/43/80/32/538438032.db2.gz TWRSSPSBOBSNNV-VXGBXAGGSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[C@@H](C)N[C@H]1CCCC[NH2+]C1 388827361 538437979 /nfs/dbraw/zinc/43/79/79/538437979.db2.gz TWRSSPSBOBSNNV-NEPJUHHUSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[C@H](C)[NH2+][C@H]1CCN[C@@H](C)C1 388826221 538438034 /nfs/dbraw/zinc/43/80/34/538438034.db2.gz TTWVDLSKKONXGT-SRVKXCTJSA-N 1 3 198.354 2.151 10 0 AEAEHO CCC[N@H+](CC)C[C@@H]1CCCCNC1 669378821 538445226 /nfs/dbraw/zinc/44/52/26/538445226.db2.gz OOZCWHLYFAFNTJ-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[N@@H+](CC)C[C@@H]1CCCCNC1 669378821 538445228 /nfs/dbraw/zinc/44/52/28/538445228.db2.gz OOZCWHLYFAFNTJ-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CCCN(CC)C[C@@H]1CCCC[NH2+]C1 669378821 538445229 /nfs/dbraw/zinc/44/52/29/538445229.db2.gz OOZCWHLYFAFNTJ-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[N@H+](CC)C[C@H]1CCCCNC1 669378822 538445312 /nfs/dbraw/zinc/44/53/12/538445312.db2.gz OOZCWHLYFAFNTJ-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[N@@H+](CC)C[C@H]1CCCCNC1 669378822 538445314 /nfs/dbraw/zinc/44/53/14/538445314.db2.gz OOZCWHLYFAFNTJ-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO CCCN(CC)C[C@H]1CCCC[NH2+]C1 669378822 538445315 /nfs/dbraw/zinc/44/53/15/538445315.db2.gz OOZCWHLYFAFNTJ-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO CC[C@H]1CCCN1C[C@@H]([NH3+])CC(C)C 216273383 541316726 /nfs/dbraw/zinc/31/67/26/541316726.db2.gz XMGHAFVLVSXFHX-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H]1CCCN1C[C@@H]([NH3+])CC(C)C 216273337 541316942 /nfs/dbraw/zinc/31/69/42/541316942.db2.gz XMGHAFVLVSXFHX-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CCNCCC[NH2+][C@@H](C)CC(C)C 379373024 541338644 /nfs/dbraw/zinc/33/86/44/541338644.db2.gz WNEFNNUHZOORRS-NSHDSACASA-N 1 3 186.343 2.010 10 0 AEAEHO CCNCCC[NH2+][C@H](C)CC(C)C 379373023 541338876 /nfs/dbraw/zinc/33/88/76/541338876.db2.gz WNEFNNUHZOORRS-LLVKDONJSA-N 1 3 186.343 2.010 10 0 AEAEHO CC(C)CCC[N@@H+]1CC[C@@H](C)[C@@H](N)C1 165543142 757010215 /nfs/dbraw/zinc/01/02/15/757010215.db2.gz LBWWKKXLXAXNNX-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CCC[N@H+]1CC[C@@H](C)[C@@H](N)C1 165543142 757010229 /nfs/dbraw/zinc/01/02/29/757010229.db2.gz LBWWKKXLXAXNNX-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CN)CC1 235462558 571916686 /nfs/dbraw/zinc/91/66/86/571916686.db2.gz OZJHTYZCQNPBBR-UTUOFQBUSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@@H]1CCC[N@@H+]([C@@H](C)CCN)CC1 70612923 571688283 /nfs/dbraw/zinc/68/82/83/571688283.db2.gz GMVLBMGBYJNYOT-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H]1CCC[N@H+]([C@@H](C)CCN)CC1 70612923 571688284 /nfs/dbraw/zinc/68/82/84/571688284.db2.gz GMVLBMGBYJNYOT-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)N(C)[C@H](CC)CC(N)=[NH2+] 252411315 571833455 /nfs/dbraw/zinc/83/34/55/571833455.db2.gz MRVZJMRLEZBRMG-NXEZZACHSA-N 1 3 199.342 2.211 10 0 AEAEHO CCC(C)(C)N(C)CC[C@@H]1CCC[NH2+]1 69015557 572021409 /nfs/dbraw/zinc/02/14/09/572021409.db2.gz DTHLFUWAZGYHJH-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)CNC[C@H]1CCCCC[NH2+]1 81038780 571970711 /nfs/dbraw/zinc/97/07/11/571970711.db2.gz BKUGTDOMJVTDPI-VXGBXAGGSA-N 1 3 198.354 2.154 10 0 AEAEHO CC[C@H](C)CNC[C@@H]1CCCCC[NH2+]1 81038778 571970821 /nfs/dbraw/zinc/97/08/21/571970821.db2.gz BKUGTDOMJVTDPI-RYUDHWBXSA-N 1 3 198.354 2.154 10 0 AEAEHO CC(C)CC[N@H+](C[C@@H](C)CN)C1CC1 109271969 571970834 /nfs/dbraw/zinc/97/08/34/571970834.db2.gz QPKAYDTYHBVHAW-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[N@@H+](C[C@@H](C)CN)C1CC1 109271969 571970836 /nfs/dbraw/zinc/97/08/36/571970836.db2.gz QPKAYDTYHBVHAW-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CCN(C[C@@H](C)C[NH3+])C1CC1 109271969 571970839 /nfs/dbraw/zinc/97/08/39/571970839.db2.gz QPKAYDTYHBVHAW-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@H](C)CNC[C@@H]1CCCC[NH2+]1 81068442 571974196 /nfs/dbraw/zinc/97/41/96/571974196.db2.gz DTMFJAVHPIXANU-NEPJUHHUSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)[C@@H](C)CNC[C@@]1(C)CCC[NH2+]1 81091989 571974200 /nfs/dbraw/zinc/97/42/00/571974200.db2.gz UTPZFLICWVKRIQ-NWDGAFQWSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)[C@@H](C)C[NH2+]C[C@@]1(C)CCCN1 81091989 571974202 /nfs/dbraw/zinc/97/42/02/571974202.db2.gz UTPZFLICWVKRIQ-NWDGAFQWSA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@H]1CCC[NH2+][C@@H]1CNCC(C)(C)C 235549314 571981211 /nfs/dbraw/zinc/98/12/11/571981211.db2.gz HPKZAAWEBYZBIL-WDEREUQCSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[C@H]1CCCC[N@@H+]1CC[C@@H](C)N 212882824 572045081 /nfs/dbraw/zinc/04/50/81/572045081.db2.gz DHEAFGIQKXTISE-NEPJUHHUSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](C)[C@H](C)[N@@H+]1C[C@@H](CN)C[C@H]1C 251838660 572045922 /nfs/dbraw/zinc/04/59/22/572045922.db2.gz LCQVSBGBIUZHPW-WHOHXGKFSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@H](C)[C@H](C)[N@H+]1C[C@@H](CN)C[C@H]1C 251838660 572045924 /nfs/dbraw/zinc/04/59/24/572045924.db2.gz LCQVSBGBIUZHPW-WHOHXGKFSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@@H](C)[N@H+](CC)[C@@H]1CCC[C@@H]1CN 37159730 571985732 /nfs/dbraw/zinc/98/57/32/571985732.db2.gz FUEPOFPNXLFPGH-IJLUTSLNSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](C)[N@@H+](CC)[C@@H]1CCC[C@@H]1CN 37159730 571985735 /nfs/dbraw/zinc/98/57/35/571985735.db2.gz FUEPOFPNXLFPGH-IJLUTSLNSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(CC)[N@H+](C)[C@H]1CCCNCC1 82666712 572079241 /nfs/dbraw/zinc/07/92/41/572079241.db2.gz OUTXAGKMMFXXRZ-LBPRGKRZSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@H]1CCCNCC1 82666712 572079242 /nfs/dbraw/zinc/07/92/42/572079242.db2.gz OUTXAGKMMFXXRZ-LBPRGKRZSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](CCN)[N@@H+](CC)[C@H](C)CC 37112425 572096909 /nfs/dbraw/zinc/09/69/09/572096909.db2.gz ZAFSRMBYNOMLGY-MNOVXSKESA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@@H](CCN)[N@H+](CC)[C@H](C)CC 37112425 572096911 /nfs/dbraw/zinc/09/69/11/572096911.db2.gz ZAFSRMBYNOMLGY-MNOVXSKESA-N 1 3 186.343 2.234 10 0 AEAEHO CCN(CCC[NH2+]C(C)C)CC1CC1 68946797 572005911 /nfs/dbraw/zinc/00/59/11/572005911.db2.gz SDTAZVAWADXOOC-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[N@H+](CCCNC(C)C)CC1CC1 68946797 572005913 /nfs/dbraw/zinc/00/59/13/572005913.db2.gz SDTAZVAWADXOOC-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[N@@H+](CCCNC(C)C)CC1CC1 68946797 572005915 /nfs/dbraw/zinc/00/59/15/572005915.db2.gz SDTAZVAWADXOOC-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+][C@H](C)CCN(CC)CC1CC1 68946870 572006020 /nfs/dbraw/zinc/00/60/20/572006020.db2.gz OXYPIZHJFZGBKY-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN[C@H](C)CC[N@H+](CC)CC1CC1 68946870 572006022 /nfs/dbraw/zinc/00/60/22/572006022.db2.gz OXYPIZHJFZGBKY-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN[C@H](C)CC[N@@H+](CC)CC1CC1 68946870 572006023 /nfs/dbraw/zinc/00/60/23/572006023.db2.gz OXYPIZHJFZGBKY-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH2+]CCCN(CC)CC1CC1 68946733 572006353 /nfs/dbraw/zinc/00/63/53/572006353.db2.gz RFLRHLNZTPTGDL-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CCCNCCC[N@H+](CC)CC1CC1 68946733 572006354 /nfs/dbraw/zinc/00/63/54/572006354.db2.gz RFLRHLNZTPTGDL-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CCCNCCC[N@@H+](CC)CC1CC1 68946733 572006356 /nfs/dbraw/zinc/00/63/56/572006356.db2.gz RFLRHLNZTPTGDL-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CCCC[C@@H](CC)[N@@H+]1CC[C@H](CN)C1 68988971 572012578 /nfs/dbraw/zinc/01/25/78/572012578.db2.gz WLCYPPGLPMVDHA-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[C@@H](CC)[N@H+]1CC[C@H](CN)C1 68988971 572012580 /nfs/dbraw/zinc/01/25/80/572012580.db2.gz WLCYPPGLPMVDHA-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(C)(C)[N@H+](C)[C@H]1CCC[C@@H]1CN 68995011 572015018 /nfs/dbraw/zinc/01/50/18/572015018.db2.gz SPUFRVGDMZRXNA-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(C)[N@@H+](C)[C@H]1CCC[C@@H]1CN 68995011 572015022 /nfs/dbraw/zinc/01/50/22/572015022.db2.gz SPUFRVGDMZRXNA-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](CCN)[N@H+](C)C(C)(C)CC 68994898 572016436 /nfs/dbraw/zinc/01/64/36/572016436.db2.gz SVOGUOSOIRSYIT-SNVBAGLBSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@H](CCN)[N@@H+](C)C(C)(C)CC 68994898 572016437 /nfs/dbraw/zinc/01/64/37/572016437.db2.gz SVOGUOSOIRSYIT-SNVBAGLBSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[N@H+](CC[C@H](C)N)C1CCCCC1 35221554 572016518 /nfs/dbraw/zinc/01/65/18/572016518.db2.gz PAIPDPVOYZVARR-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CC[N@@H+](CC[C@H](C)N)C1CCCCC1 35221554 572016519 /nfs/dbraw/zinc/01/65/19/572016519.db2.gz PAIPDPVOYZVARR-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CCCC[C@H](N)C[NH+]1CCC(C)CC1 37480771 572154212 /nfs/dbraw/zinc/15/42/12/572154212.db2.gz CSOXHPLCNWOKHQ-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](C)[N@H+](CCCN)C1CCCC1 36732202 572062421 /nfs/dbraw/zinc/06/24/21/572062421.db2.gz HFNQRPDVNQSVQW-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H](C)[N@@H+](CCCN)C1CCCC1 36732202 572062422 /nfs/dbraw/zinc/06/24/22/572062422.db2.gz HFNQRPDVNQSVQW-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[NH2+][C@@H](C)[C@H]1CCCN(C(C)C)C1 82646640 572067857 /nfs/dbraw/zinc/06/78/57/572067857.db2.gz YXAADTUAPXKLDR-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@@H](C)[NH2+][C@H]1CCNCC1(C)C 300926391 572069339 /nfs/dbraw/zinc/06/93/39/572069339.db2.gz ZGERKPYZXXDRLF-MNOVXSKESA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](C)[N@H+](C)[C@@H](CC)CCN 36790051 572069410 /nfs/dbraw/zinc/06/94/10/572069410.db2.gz PIXNJUIHHZIMNP-QWRGUYRKSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@H](C)[N@@H+](C)[C@@H](CC)CCN 36790051 572069412 /nfs/dbraw/zinc/06/94/12/572069412.db2.gz PIXNJUIHHZIMNP-QWRGUYRKSA-N 1 3 186.343 2.234 10 0 AEAEHO CCCC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1N 82922445 572173712 /nfs/dbraw/zinc/17/37/12/572173712.db2.gz ZORYVYDBMOWSEZ-SRVKXCTJSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCN(C[C@@H]([NH3+])C(C)(C)C)C1CC1 37097136 572088637 /nfs/dbraw/zinc/08/86/37/572088637.db2.gz MBRQVVUFUIDAAY-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)NC[C@H]1CCC(C)(C)C[NH2+]1 686979967 757311166 /nfs/dbraw/zinc/31/11/66/757311166.db2.gz LEEUAUDTQLATSX-WDEREUQCSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@@H](C)NC[C@H]1CCC(C)(C)C[NH2+]1 686979964 757312703 /nfs/dbraw/zinc/31/27/03/757312703.db2.gz LEEUAUDTQLATSX-GHMZBOCLSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@H](C)NC[C@@H]1CCC(C)(C)C[NH2+]1 686979966 757313423 /nfs/dbraw/zinc/31/34/23/757313423.db2.gz LEEUAUDTQLATSX-QWRGUYRKSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@@H](C)NC[C@@H]1CCC(C)(C)C[NH2+]1 686979965 757314979 /nfs/dbraw/zinc/31/49/79/757314979.db2.gz LEEUAUDTQLATSX-MNOVXSKESA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@H](C)CN(C)[C@@H]1CCCC[C@@H]1[NH3+] 37172909 572103326 /nfs/dbraw/zinc/10/33/26/572103326.db2.gz NXYKHRMESYXNIV-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)C[NH2+]CCC1(N)CCCC1 82773356 572108193 /nfs/dbraw/zinc/10/81/93/572108193.db2.gz NTAKJNGXFSFCLU-NSHDSACASA-N 1 3 198.354 2.284 10 0 AEAEHO C[NH2+]C1CCN([C@H](C)CC(C)C)CC1 37264982 572108199 /nfs/dbraw/zinc/10/81/99/572108199.db2.gz ZHUAXAKNAQPIIV-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC1CC[NH+]([C@H](C)CC(C)C)CC1 37264982 572108201 /nfs/dbraw/zinc/10/82/01/572108201.db2.gz ZHUAXAKNAQPIIV-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(C)(C)[N@H+](C)CCC(C)(C)N 82773448 572108237 /nfs/dbraw/zinc/10/82/37/572108237.db2.gz MYACXNMCFBGUNH-UHFFFAOYSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC(C)(C)[N@@H+](C)CCC(C)(C)N 82773448 572108239 /nfs/dbraw/zinc/10/82/39/572108239.db2.gz MYACXNMCFBGUNH-UHFFFAOYSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC(C)(C)N(C)CCC(C)(C)[NH3+] 82773448 572108241 /nfs/dbraw/zinc/10/82/41/572108241.db2.gz MYACXNMCFBGUNH-UHFFFAOYSA-N 1 3 186.343 2.234 10 0 AEAEHO C[C@@H](C[C@@H](C)N)[N@@H+]1CCC[C@@H](C)CC1 82802412 572120876 /nfs/dbraw/zinc/12/08/76/572120876.db2.gz HNRABMIHXUCWLT-UTUOFQBUSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](C[C@@H](C)N)[N@H+]1CCC[C@@H](C)CC1 82802412 572120879 /nfs/dbraw/zinc/12/08/79/572120879.db2.gz HNRABMIHXUCWLT-UTUOFQBUSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](N)CC[NH2+][C@@H]1CCC[C@@H](C)CC1 235155496 572156093 /nfs/dbraw/zinc/15/60/93/572156093.db2.gz VQQQPGQVVCVCRM-IJLUTSLNSA-N 1 3 198.354 2.282 10 0 AEAEHO CC[C@@H]1C[C@@H]1[NH2+]CC[C@H](N)C(C)(C)C 300374972 572143012 /nfs/dbraw/zinc/14/30/12/572143012.db2.gz CICNDUNSYUKXQG-VWYCJHECSA-N 1 3 198.354 2.138 10 0 AEAEHO CCCC[C@H]([NH3+])CN[C@H]1C[C@H]1CCC 300392986 572162787 /nfs/dbraw/zinc/16/27/87/572162787.db2.gz XJVISUUTKVEPGQ-WOPDTQHZSA-N 1 3 198.354 2.282 10 0 AEAEHO CCNCCC[N@@H+]1CCCCC[C@@H]1C 69944787 572162849 /nfs/dbraw/zinc/16/28/49/572162849.db2.gz MKNPBMMNDHWWOO-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCNCCC[N@H+]1CCCCC[C@@H]1C 69944787 572162852 /nfs/dbraw/zinc/16/28/52/572162852.db2.gz MKNPBMMNDHWWOO-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[NH2+]CCCN1CCCCC[C@@H]1C 69944787 572162854 /nfs/dbraw/zinc/16/28/54/572162854.db2.gz MKNPBMMNDHWWOO-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CN[C@H](C)CC[N@@H+]1CCCCC[C@@H]1C 69944765 572164163 /nfs/dbraw/zinc/16/41/63/572164163.db2.gz CXNLDZAVAMLMDP-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@H](C)CC[N@H+]1CCCCC[C@@H]1C 69944765 572164164 /nfs/dbraw/zinc/16/41/64/572164164.db2.gz CXNLDZAVAMLMDP-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH+](CCC)[C@H]1CCNC[C@@H]1C 70045524 572165353 /nfs/dbraw/zinc/16/53/53/572165353.db2.gz XWVPGEZVYCKTOU-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)(C)C[NH2+]C[C@H]1CCCC[C@H]1N 82922335 572173799 /nfs/dbraw/zinc/17/37/99/572173799.db2.gz CYYIACXRDFJFPT-GHMZBOCLSA-N 1 3 198.354 2.140 10 0 AEAEHO CCNC[C@@H](C)[C@H](C)[N@@H+]1CCC[C@@H]1C 87946907 572761276 /nfs/dbraw/zinc/76/12/76/572761276.db2.gz BTGLIVHXXCHCKJ-WOPDTQHZSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@@H](C)[C@H](C)[N@H+]1CCC[C@@H]1C 87946907 572761277 /nfs/dbraw/zinc/76/12/77/572761277.db2.gz BTGLIVHXXCHCKJ-WOPDTQHZSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)(CC)[NH2+]CC[C@@H](C)N 83388619 572208678 /nfs/dbraw/zinc/20/86/78/572208678.db2.gz GENTWZQTLFMVRR-SNVBAGLBSA-N 1 3 186.343 2.282 10 0 AEAEHO CCC(CC)[C@H](C)[NH2+][C@@H]1CC[C@H](N)C1 86400687 572930888 /nfs/dbraw/zinc/93/08/88/572930888.db2.gz QNIOSELJUCDOON-ZMLRMANQSA-N 1 3 198.354 2.281 10 0 AEAEHO N[C@@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 86399260 572930894 /nfs/dbraw/zinc/93/08/94/572930894.db2.gz XTNHHHAICNLITF-VXGBXAGGSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[NH+](CC)C[C@H]1CCC(C)(C)[C@H]1N 86871060 572333224 /nfs/dbraw/zinc/33/32/24/572333224.db2.gz QMGLUTPBNBUDCI-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H](CC[NH2+]CC1(C)CCC1)N(C)C 697829991 757433628 /nfs/dbraw/zinc/43/36/28/757433628.db2.gz RIEHFBVOXNZUBQ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@@H](CC[NH2+]CC1(C)CCC1)N(C)C 697829993 757438509 /nfs/dbraw/zinc/43/85/09/757438509.db2.gz RIEHFBVOXNZUBQ-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@H](C)CC[N@@H+]1C[C@H](C)CC[C@H]1C 84046495 572481420 /nfs/dbraw/zinc/48/14/20/572481420.db2.gz KLHZNMVPXODYRQ-IJLUTSLNSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H](C)CC[N@H+]1C[C@H](C)CC[C@H]1C 84046495 572481423 /nfs/dbraw/zinc/48/14/23/572481423.db2.gz KLHZNMVPXODYRQ-IJLUTSLNSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H](C)CC[N@@H+]1C[C@H](C)CC[C@@H]1C 84046486 572483308 /nfs/dbraw/zinc/48/33/08/572483308.db2.gz KLHZNMVPXODYRQ-UTUOFQBUSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H](C)CC[N@H+]1C[C@H](C)CC[C@@H]1C 84046486 572483312 /nfs/dbraw/zinc/48/33/12/572483312.db2.gz KLHZNMVPXODYRQ-UTUOFQBUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@H+](CC(C)C)[C@H]1CC[C@H](NC)C1 86618790 572965767 /nfs/dbraw/zinc/96/57/67/572965767.db2.gz ZNJXOOBKXANAEA-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@@H+](CC(C)C)[C@H]1CC[C@H](NC)C1 86618790 572965769 /nfs/dbraw/zinc/96/57/69/572965769.db2.gz ZNJXOOBKXANAEA-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH+](CCC)[C@@H]1CC[C@@H](NC)C1 86618464 572965779 /nfs/dbraw/zinc/96/57/79/572965779.db2.gz BZOBAQUPOOTSOA-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](CN)C[N@@H+]1CCC[C@@H]1C(C)C 84126875 572497249 /nfs/dbraw/zinc/49/72/49/572497249.db2.gz DPMNPZRKZFLNRL-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](CN)C[N@H+]1CCC[C@@H]1C(C)C 84126875 572497254 /nfs/dbraw/zinc/49/72/54/572497254.db2.gz DPMNPZRKZFLNRL-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CNCCC[N@H+](C)[C@H](C)C1CCCC1 87472399 572507188 /nfs/dbraw/zinc/50/71/88/572507188.db2.gz UUWYCEPKBQVGFU-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CNCCC[N@@H+](C)[C@H](C)C1CCCC1 87472399 572507191 /nfs/dbraw/zinc/50/71/91/572507191.db2.gz UUWYCEPKBQVGFU-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)[NH2+][C@H](C)CC(C)(C)NC 238283062 572518681 /nfs/dbraw/zinc/51/86/81/572518681.db2.gz QHBOZSJNSYOXJS-VHSXEESVSA-N 1 3 186.343 2.151 10 0 AEAEHO CC(C)CC[N@H+]1CC[C@H](N)[C@H](C)[C@H]1C 86302993 573351713 /nfs/dbraw/zinc/35/17/13/573351713.db2.gz XHMCNJQXIHGLKM-UTUOFQBUSA-N 1 3 198.354 2.090 10 0 AEAEHO CNCCC[N@H+](C)[C@H]1CCC(C)(C)C1 87772961 572706519 /nfs/dbraw/zinc/70/65/19/572706519.db2.gz SARJYYHTCCLGHZ-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CNCCC[N@@H+](C)[C@H]1CCC(C)(C)C1 87772961 572706523 /nfs/dbraw/zinc/70/65/23/572706523.db2.gz SARJYYHTCCLGHZ-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO C[NH2+]CCCN(C)[C@H]1CCC(C)(C)C1 87772961 572706524 /nfs/dbraw/zinc/70/65/24/572706524.db2.gz SARJYYHTCCLGHZ-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CN1CCC[C@H]1C[C@]1(C)CCCC[NH2+]1 258182804 573926399 /nfs/dbraw/zinc/92/63/99/573926399.db2.gz MDJWGLBIKRAVMG-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)[C@H](C)[N@@H+]1CCCN[C@H](C)CC1 49662750 572793771 /nfs/dbraw/zinc/79/37/71/572793771.db2.gz QLSSHKPYDKOSJB-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[C@H](C)[N@H+]1CCCN[C@H](C)CC1 49662750 572793774 /nfs/dbraw/zinc/79/37/74/572793774.db2.gz QLSSHKPYDKOSJB-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(C)(C)[C@@H]1CC[C@H](CN)[C@H]([NH3+])C1 50285717 572872446 /nfs/dbraw/zinc/87/24/46/572872446.db2.gz BVHHILFVHFRKRB-GMTAPVOTSA-N 1 3 198.354 2.125 10 0 AEAEHO C[NH2+]CCCC/C=C1/CCCN(C)C1 75599541 572879930 /nfs/dbraw/zinc/87/99/30/572879930.db2.gz PQGLCDLZHJLVAP-GHXNOFRVSA-N 1 3 196.338 2.028 10 0 AEAEHO CC(C)[C@@H]1CCC[N@@H+]1[C@@H](C)[C@@H](C)CN 86312788 572914122 /nfs/dbraw/zinc/91/41/22/572914122.db2.gz OTWWPIVULPZRCR-SRVKXCTJSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@@H]1CCC[N@H+]1[C@@H](C)[C@@H](C)CN 86312788 572914125 /nfs/dbraw/zinc/91/41/25/572914125.db2.gz OTWWPIVULPZRCR-SRVKXCTJSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@H](C)N(CC)C[C@H]1CC[NH2+][C@H]1C 252605912 572923686 /nfs/dbraw/zinc/92/36/86/572923686.db2.gz QAXUVEIFBMOYLT-SDDRHHMPSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)CC[N@H+](C)[C@H]1CCC[C@H](N)C1 86431843 572936558 /nfs/dbraw/zinc/93/65/58/572936558.db2.gz PKTCNAVFXIFKBN-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)CC[N@@H+](C)[C@H]1CCC[C@H](N)C1 86431843 572936561 /nfs/dbraw/zinc/93/65/61/572936561.db2.gz PKTCNAVFXIFKBN-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)C[C@H](C)[N@H+](C)[C@@H]1CC[C@H](N)C1 86432437 572938497 /nfs/dbraw/zinc/93/84/97/572938497.db2.gz KBGPJUOGEHCMEJ-SDDRHHMPSA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)C[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](N)C1 86432437 572938500 /nfs/dbraw/zinc/93/85/00/572938500.db2.gz KBGPJUOGEHCMEJ-SDDRHHMPSA-N 1 3 198.354 2.233 10 0 AEAEHO CN[C@H]1CC[C@@H]([N@H+](C)CC(C)(C)C)C1 86619233 572965790 /nfs/dbraw/zinc/96/57/90/572965790.db2.gz SBDFJEDIGYKZEV-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CC[C@@H]([N@@H+](C)CC(C)(C)C)C1 86619233 572965791 /nfs/dbraw/zinc/96/57/91/572965791.db2.gz SBDFJEDIGYKZEV-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@H]1CC[C@@H](N(C)CC(C)(C)C)C1 86619233 572965793 /nfs/dbraw/zinc/96/57/93/572965793.db2.gz SBDFJEDIGYKZEV-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@H](C)[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238252981 573013090 /nfs/dbraw/zinc/01/30/90/573013090.db2.gz BWOYOCAHAXWTMR-YFKTTZPYSA-N 1 3 196.338 2.129 10 0 AEAEHO CCC[C@H](C)[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238252981 573013096 /nfs/dbraw/zinc/01/30/96/573013096.db2.gz BWOYOCAHAXWTMR-YFKTTZPYSA-N 1 3 196.338 2.129 10 0 AEAEHO CC[C@]1(C[C@H]2CCCN2C)CCC[NH2+]1 258225861 573016259 /nfs/dbraw/zinc/01/62/59/573016259.db2.gz PFBIEVOQRQFLBV-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CCCCC[N@@H+]1CCN[C@@H](CC)CC1 49661079 573032376 /nfs/dbraw/zinc/03/23/76/573032376.db2.gz PFIBTOJGWFJUJT-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCC[N@H+]1CCN[C@@H](CC)CC1 49661079 573032380 /nfs/dbraw/zinc/03/23/80/573032380.db2.gz PFIBTOJGWFJUJT-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCN(C)CC[C@@H]([NH3+])CCC 128542464 573061347 /nfs/dbraw/zinc/06/13/47/573061347.db2.gz RQGAGPHEGHAJEK-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[C@@H](N)CC[N@H+](C)[C@@H](C)CC 128556666 573070641 /nfs/dbraw/zinc/07/06/41/573070641.db2.gz HFDWDKYHLNTXMO-WDEREUQCSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@@H](N)CC[N@@H+](C)[C@@H](C)CC 128556666 573070645 /nfs/dbraw/zinc/07/06/45/573070645.db2.gz HFDWDKYHLNTXMO-WDEREUQCSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@@H]([NH3+])CCN(C)[C@@H](C)CC 128556666 573070651 /nfs/dbraw/zinc/07/06/51/573070651.db2.gz HFDWDKYHLNTXMO-WDEREUQCSA-N 1 3 186.343 2.234 10 0 AEAEHO CCCC[NH2+]CC[C@H]1CCCCN1C 49750726 573083864 /nfs/dbraw/zinc/08/38/64/573083864.db2.gz WUNGUTXUIVDNTL-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO C[C@H]([NH2+][C@@H]1CC[C@@H](N)C1)C1CCCC1 88162884 573094004 /nfs/dbraw/zinc/09/40/04/573094004.db2.gz FARAIUMTWNXNHH-MVWJERBFSA-N 1 3 196.338 2.035 10 0 AEAEHO CC1CC[NH+](CC(C)(C)[C@@H](C)N)CC1 85678036 573113691 /nfs/dbraw/zinc/11/36/91/573113691.db2.gz WDESUEPZVGIGAS-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC1CCN(CC(C)(C)[C@@H](C)[NH3+])CC1 85678036 573113697 /nfs/dbraw/zinc/11/36/97/573113697.db2.gz WDESUEPZVGIGAS-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@H](C[C@@H]1CCCC[NH2+]1)N(C)C 259343283 573148262 /nfs/dbraw/zinc/14/82/62/573148262.db2.gz FHACDDQCUJUJNO-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[C@H](C[C@@H]1CCCCN1)[NH+](C)C 259343283 573148265 /nfs/dbraw/zinc/14/82/65/573148265.db2.gz FHACDDQCUJUJNO-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[C@@H](C[C@@H]1CCCC[NH2+]1)N(C)C 259343281 573148288 /nfs/dbraw/zinc/14/82/88/573148288.db2.gz FHACDDQCUJUJNO-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[C@@H](C[C@@H]1CCCCN1)[NH+](C)C 259343281 573148294 /nfs/dbraw/zinc/14/82/94/573148294.db2.gz FHACDDQCUJUJNO-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@@H]1CC[N@H+](C(C)(C)C)C1(C)C 259351252 573166552 /nfs/dbraw/zinc/16/65/52/573166552.db2.gz JSHQJMIFNYHJSM-JTQLQIEISA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@@H]1CC[N@@H+](C(C)(C)C)C1(C)C 259351252 573166557 /nfs/dbraw/zinc/16/65/57/573166557.db2.gz JSHQJMIFNYHJSM-JTQLQIEISA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@H]1CCC[N@H+](CCC(C)(C)N)[C@@H]1C 82773320 573182868 /nfs/dbraw/zinc/18/28/68/573182868.db2.gz ZABXXIYSESVXPA-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CCC[N@@H+](CCC(C)(C)N)[C@@H]1C 82773320 573182872 /nfs/dbraw/zinc/18/28/72/573182872.db2.gz ZABXXIYSESVXPA-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@H+](CC(C)C)[C@H]1CC[C@@H](N)C1 308514816 573189107 /nfs/dbraw/zinc/18/91/07/573189107.db2.gz UNZNWNSNBKKVQZ-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@@H+](CC(C)C)[C@H]1CC[C@@H](N)C1 308514816 573189112 /nfs/dbraw/zinc/18/91/12/573189112.db2.gz UNZNWNSNBKKVQZ-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)C[C@H](C1CCCCC1)[NH+](C)C 259366674 573194099 /nfs/dbraw/zinc/19/40/99/573194099.db2.gz GBVVCNXTBCCSJU-CMPLNLGQSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]([NH3+])C[C@H](C1CCCCC1)N(C)C 259366674 573194104 /nfs/dbraw/zinc/19/41/04/573194104.db2.gz GBVVCNXTBCCSJU-CMPLNLGQSA-N 1 3 198.354 2.234 10 0 AEAEHO CC1(NC[C@@H]2CCCC[NH2+]2)CCCC1 82785913 573194340 /nfs/dbraw/zinc/19/43/40/573194340.db2.gz SERRSNCIXKMVIH-NSHDSACASA-N 1 3 196.338 2.051 10 0 AEAEHO C[C@H](N)C[C@@H](C1CCCCC1)[NH+](C)C 259366679 573194512 /nfs/dbraw/zinc/19/45/12/573194512.db2.gz GBVVCNXTBCCSJU-JQWIXIFHSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]([NH3+])C[C@@H](C1CCCCC1)N(C)C 259366679 573194515 /nfs/dbraw/zinc/19/45/15/573194515.db2.gz GBVVCNXTBCCSJU-JQWIXIFHSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](N)C[C@@H](C)[NH+]1CCC(C)(C)CC1 82802255 573202292 /nfs/dbraw/zinc/20/22/92/573202292.db2.gz VZQSJODCPMKCSS-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO Cc1ccc([C@H](N)C[C@H](C)[NH3+])cc1C 259370637 573202437 /nfs/dbraw/zinc/20/24/37/573202437.db2.gz MSPJGKPZOJFFGU-CMPLNLGQSA-N 1 3 192.306 2.041 10 0 AEAEHO C[C@H](N)C[C@H](C)[NH+]1CCC(C)(C)CC1 82802256 573202441 /nfs/dbraw/zinc/20/24/41/573202441.db2.gz VZQSJODCPMKCSS-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)C[C@@H](C)[NH+]1CCCCCCC1 82801126 573202491 /nfs/dbraw/zinc/20/24/91/573202491.db2.gz MAMWEENYUIUVRH-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO Cc1ccc([C@@H](N)C[C@H](C)[NH3+])cc1C 259370638 573202702 /nfs/dbraw/zinc/20/27/02/573202702.db2.gz MSPJGKPZOJFFGU-JQWIXIFHSA-N 1 3 192.306 2.041 10 0 AEAEHO Cc1ccc([C@@H](N)C[C@@H](C)[NH3+])cc1C 259370640 573204986 /nfs/dbraw/zinc/20/49/86/573204986.db2.gz MSPJGKPZOJFFGU-PWSUYJOCSA-N 1 3 192.306 2.041 10 0 AEAEHO CCC(CC)C[N@H+](C)[C@H](C)CCN 129106126 573229842 /nfs/dbraw/zinc/22/98/42/573229842.db2.gz GNEPCRABBWVULQ-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC(CC)C[N@@H+](C)[C@H](C)CCN 129106126 573229849 /nfs/dbraw/zinc/22/98/49/573229849.db2.gz GNEPCRABBWVULQ-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@H](C)[N@@H+]1CCC[C@@H]1C[C@@H](C)N 308529179 573240798 /nfs/dbraw/zinc/24/07/98/573240798.db2.gz BVRIOGOMEFRCHJ-GRYCIOLGSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC[C@H](C)[N@H+]1CCC[C@@H]1C[C@@H](C)N 308529179 573240803 /nfs/dbraw/zinc/24/08/03/573240803.db2.gz BVRIOGOMEFRCHJ-GRYCIOLGSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC[C@H](C)[N@@H+]1CCC[C@@H]1C[C@H](C)N 308529180 573242243 /nfs/dbraw/zinc/24/22/43/573242243.db2.gz BVRIOGOMEFRCHJ-SDDRHHMPSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC[C@H](C)[N@H+]1CCC[C@@H]1C[C@H](C)N 308529180 573242248 /nfs/dbraw/zinc/24/22/48/573242248.db2.gz BVRIOGOMEFRCHJ-SDDRHHMPSA-N 1 3 198.354 2.377 10 0 AEAEHO CC(C)CC[NH2+]CC[C@@H]1CCCCN1 258605521 573243298 /nfs/dbraw/zinc/24/32/98/573243298.db2.gz ANVNVJUWSBMFBI-LBPRGKRZSA-N 1 3 198.354 2.154 10 0 AEAEHO CC[C@H](C)C[NH2+][C@@H]1CC[C@H](N(C)C)C1 129150086 573243434 /nfs/dbraw/zinc/24/34/34/573243434.db2.gz WACXLMBQIPZNRS-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@H]([N@@H+](C)[C@H](C)CCN)C(C)(C)C 42739466 573253845 /nfs/dbraw/zinc/25/38/45/573253845.db2.gz NHTJPXSAQNFMGP-ZJUUUORDSA-N 1 3 186.343 2.090 10 0 AEAEHO C[C@H]([N@H+](C)[C@H](C)CCN)C(C)(C)C 42739466 573253850 /nfs/dbraw/zinc/25/38/50/573253850.db2.gz NHTJPXSAQNFMGP-ZJUUUORDSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[N@H+](C)C[C@H](N)CC1CCCCC1 308530505 573253962 /nfs/dbraw/zinc/25/39/62/573253962.db2.gz KAGJBWLUCPUQLP-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[N@@H+](C)C[C@H](N)CC1CCCCC1 308530505 573253969 /nfs/dbraw/zinc/25/39/69/573253969.db2.gz KAGJBWLUCPUQLP-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCC[NH2+]C[C@@H](CC)CNC 258613049 573255386 /nfs/dbraw/zinc/25/53/86/573255386.db2.gz ISPKPDLMPHRFET-NSHDSACASA-N 1 3 186.343 2.012 10 0 AEAEHO C[C@H]1CC[C@@H]1NCCC[NH2+]C(C)(C)C 308529444 573255765 /nfs/dbraw/zinc/25/57/65/573255765.db2.gz KIXUFFKVAAJWGF-QWRGUYRKSA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@H]1CC[C@@H]1[NH2+]CCCNC(C)(C)C 308529444 573255769 /nfs/dbraw/zinc/25/57/69/573255769.db2.gz KIXUFFKVAAJWGF-QWRGUYRKSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCCC[NH2+]C[C@H](CC)CNC 258613047 573256957 /nfs/dbraw/zinc/25/69/57/573256957.db2.gz ISPKPDLMPHRFET-LLVKDONJSA-N 1 3 186.343 2.012 10 0 AEAEHO CC[N@H+](CC[C@H](N)C(C)C)C(C)C 129209655 573257933 /nfs/dbraw/zinc/25/79/33/573257933.db2.gz XHCXTYLEWQLWAW-NSHDSACASA-N 1 3 186.343 2.090 10 0 AEAEHO CC[N@@H+](CC[C@H](N)C(C)C)C(C)C 129209655 573257938 /nfs/dbraw/zinc/25/79/38/573257938.db2.gz XHCXTYLEWQLWAW-NSHDSACASA-N 1 3 186.343 2.090 10 0 AEAEHO CCN(CC[C@H]([NH3+])C(C)C)C(C)C 129209655 573257942 /nfs/dbraw/zinc/25/79/42/573257942.db2.gz XHCXTYLEWQLWAW-NSHDSACASA-N 1 3 186.343 2.090 10 0 AEAEHO C[C@@H](CC(N)=[NH2+])N(C)[C@@H](C)C(C)(C)C 42782829 573259967 /nfs/dbraw/zinc/25/99/67/573259967.db2.gz YCILJYAFWOWQGJ-IUCAKERBSA-N 1 3 199.342 2.067 10 0 AEAEHO CCCN(CC[C@H]([NH3+])C(C)C)C1CC1 129211025 573261311 /nfs/dbraw/zinc/26/13/11/573261311.db2.gz AOLPCAFEBQPIPS-LBPRGKRZSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@]1(C[C@@H]2CCC[NH2+]2)CCCCN1 258273802 573270766 /nfs/dbraw/zinc/27/07/66/573270766.db2.gz SBXCCRKKYCMAON-NWDGAFQWSA-N 1 3 196.338 2.051 10 0 AEAEHO CC[C@]1(C[C@H]2CCC[NH2+]2)CCCCN1 258273808 573273060 /nfs/dbraw/zinc/27/30/60/573273060.db2.gz SBXCCRKKYCMAON-VXGBXAGGSA-N 1 3 196.338 2.051 10 0 AEAEHO N[C@@H]1CCC[C@H]1C[NH2+]C1CCCCC1 82922203 573280801 /nfs/dbraw/zinc/28/08/01/573280801.db2.gz UBFZCHBPAXMWGU-CMPLNLGQSA-N 1 3 196.338 2.036 10 0 AEAEHO N[C@H]1CCC[C@@H]1C[NH2+]C1CCCCC1 82922202 573281015 /nfs/dbraw/zinc/28/10/15/573281015.db2.gz UBFZCHBPAXMWGU-PWSUYJOCSA-N 1 3 196.338 2.036 10 0 AEAEHO N[C@H]1CCCC[C@H]1C[NH2+]C1CCCC1 82922268 573281750 /nfs/dbraw/zinc/28/17/50/573281750.db2.gz OERNCUJCRBDSHI-JQWIXIFHSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@H](CNC)[C@@H]([NH2+]C)C1CCCC1 259065710 573281753 /nfs/dbraw/zinc/28/17/53/573281753.db2.gz BOAYRZRLCCQBFO-ZYHUDNBSSA-N 1 3 198.354 2.010 10 0 AEAEHO CC[C@@H](CNC)[C@@H]([NH2+]C)C1CCCC1 259065702 573281998 /nfs/dbraw/zinc/28/19/98/573281998.db2.gz BOAYRZRLCCQBFO-CMPLNLGQSA-N 1 3 198.354 2.010 10 0 AEAEHO N[C@@H]1CCC[C@@H]1C[NH2+]C1CCCCC1 82922204 573282007 /nfs/dbraw/zinc/28/20/07/573282007.db2.gz UBFZCHBPAXMWGU-ZYHUDNBSSA-N 1 3 196.338 2.036 10 0 AEAEHO CC(C)[C@@H](N)CC[NH2+][C@H]1CCC1(C)C 308539695 573282023 /nfs/dbraw/zinc/28/20/23/573282023.db2.gz NKLIAGPMSMJVAW-QWRGUYRKSA-N 1 3 198.354 2.138 10 0 AEAEHO CC1([NH2+]C[C@H]2CCC[C@@H]2N)CCCC1 82922609 573284415 /nfs/dbraw/zinc/28/44/15/573284415.db2.gz IGIZGDGWQPYHBO-MNOVXSKESA-N 1 3 196.338 2.036 10 0 AEAEHO CC1([NH2+]C[C@@H]2CCC[C@@H]2N)CCCC1 82922608 573284689 /nfs/dbraw/zinc/28/46/89/573284689.db2.gz IGIZGDGWQPYHBO-QWRGUYRKSA-N 1 3 196.338 2.036 10 0 AEAEHO CC(C)CCCCNC[C@@H]1CC[NH2+]C1 147585446 573285557 /nfs/dbraw/zinc/28/55/57/573285557.db2.gz NZESLUGVSGBJSU-LBPRGKRZSA-N 1 3 198.354 2.012 10 0 AEAEHO CCNC[C@H](C)C[NH2+][C@H]1CC[C@H](C)C1 129451551 573290959 /nfs/dbraw/zinc/29/09/59/573290959.db2.gz NSWRBIUPQZNMPJ-SRVKXCTJSA-N 1 3 198.354 2.010 10 0 AEAEHO CC[C@@H](C)[N@@H+]1C[C@@H](CNC)CC1(C)C 259405165 573294291 /nfs/dbraw/zinc/29/42/91/573294291.db2.gz MOELFELDAZYYSL-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[N@H+]1C[C@@H](CNC)CC1(C)C 259405165 573294300 /nfs/dbraw/zinc/29/43/00/573294300.db2.gz MOELFELDAZYYSL-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@@H+]1C[C@@H](CN)CCC1(C)C 259409984 573305845 /nfs/dbraw/zinc/30/58/45/573305845.db2.gz MTWBLTGSSOILOY-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@H+]1C[C@@H](CN)CCC1(C)C 259409984 573305848 /nfs/dbraw/zinc/30/58/48/573305848.db2.gz MTWBLTGSSOILOY-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[NH2+][C@@H](C)C[C@@H](C)N(C)CCC1CC1 393661147 573306106 /nfs/dbraw/zinc/30/61/06/573306106.db2.gz WOFRAIKWWCMDNM-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H](C)C[C@@H](C)[N@H+](C)CCC1CC1 393661147 573306109 /nfs/dbraw/zinc/30/61/09/573306109.db2.gz WOFRAIKWWCMDNM-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H](C)C[C@@H](C)[N@@H+](C)CCC1CC1 393661147 573306115 /nfs/dbraw/zinc/30/61/15/573306115.db2.gz WOFRAIKWWCMDNM-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN1C[C@H](CC(C)C)[NH2+]CC[C@@H]1C 82942759 573308215 /nfs/dbraw/zinc/30/82/15/573308215.db2.gz PHXGJOYXSSDKGE-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@@H+]1C[C@H](CC(C)C)NCC[C@@H]1C 82942759 573308219 /nfs/dbraw/zinc/30/82/19/573308219.db2.gz PHXGJOYXSSDKGE-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@H+]1C[C@H](CC(C)C)NCC[C@@H]1C 82942759 573308223 /nfs/dbraw/zinc/30/82/23/573308223.db2.gz PHXGJOYXSSDKGE-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@@H](C)C[C@H](C)N(C)CCC1CC1 393661146 573308394 /nfs/dbraw/zinc/30/83/94/573308394.db2.gz WOFRAIKWWCMDNM-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H](C)C[C@H](C)[N@H+](C)CCC1CC1 393661146 573308402 /nfs/dbraw/zinc/30/84/02/573308402.db2.gz WOFRAIKWWCMDNM-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H](C)C[C@H](C)[N@@H+](C)CCC1CC1 393661146 573308409 /nfs/dbraw/zinc/30/84/09/573308409.db2.gz WOFRAIKWWCMDNM-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@@H+]1CC2(CCCC2)NCC[C@@H]1C 82943128 573314126 /nfs/dbraw/zinc/31/41/26/573314126.db2.gz AXZQWZCSLUHPIV-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CC[N@H+]1CC2(CCCC2)NCC[C@@H]1C 82943128 573314138 /nfs/dbraw/zinc/31/41/38/573314138.db2.gz AXZQWZCSLUHPIV-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CCN1CC2(CCCC2)[NH2+]CC[C@@H]1C 82943128 573314144 /nfs/dbraw/zinc/31/41/44/573314144.db2.gz AXZQWZCSLUHPIV-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)[N@@H+]1CCCNC2(CCCC2)C1 82941648 573314395 /nfs/dbraw/zinc/31/43/95/573314395.db2.gz BGVVVBBYKIZJHP-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)[N@H+]1CCCNC2(CCCC2)C1 82941648 573314398 /nfs/dbraw/zinc/31/43/98/573314398.db2.gz BGVVVBBYKIZJHP-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)N1CCC[NH2+]C2(CCCC2)C1 82941648 573314403 /nfs/dbraw/zinc/31/44/03/573314403.db2.gz BGVVVBBYKIZJHP-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CC1(C)C[C@@H]([NH+]2CCCCC2)CCN1 106873909 573323901 /nfs/dbraw/zinc/32/39/01/573323901.db2.gz FVTBBSPBXVZNMB-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CC1(C)C[C@@H](N2CCCCC2)CC[NH2+]1 106873909 573323910 /nfs/dbraw/zinc/32/39/10/573323910.db2.gz FVTBBSPBXVZNMB-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)[NH2+]CCCN(C)CCC1CC1 308550261 573328007 /nfs/dbraw/zinc/32/80/07/573328007.db2.gz XFFGZYKTDCSLKI-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@@]1(C[C@H]2CCCCN2)CCCC[NH2+]1 258002895 573331171 /nfs/dbraw/zinc/33/11/71/573331171.db2.gz AMRQYQUYWCAQFK-NEPJUHHUSA-N 1 3 196.338 2.051 10 0 AEAEHO C[C@H](CN)C[NH2+][C@H]1CCCCC[C@H]1C 308560719 573337464 /nfs/dbraw/zinc/33/74/64/573337464.db2.gz FADSHUCSQTUYOT-UTUOFQBUSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)C[C@H](C)[NH2+]C[C@@]1(C)CCCN1 308559703 573337662 /nfs/dbraw/zinc/33/76/62/573337662.db2.gz WMXODLABPYWSRI-NWDGAFQWSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@H](CCN)[NH2+]C1CCCCCC1 129577829 573343577 /nfs/dbraw/zinc/34/35/77/573343577.db2.gz PXEGIHYTRKRKMP-LLVKDONJSA-N 1 3 198.354 2.426 10 0 AEAEHO CCCCCC[C@H](C[NH3+])NC1CC1 50271099 573343817 /nfs/dbraw/zinc/34/38/17/573343817.db2.gz IZFNUKKWQGRPPL-LLVKDONJSA-N 1 3 184.327 2.036 10 0 AEAEHO CC[C@H](N)CC[NH2+][C@H]1CCC(C)(C)C1 129547266 573344667 /nfs/dbraw/zinc/34/46/67/573344667.db2.gz LMJPEFKIRLELMD-QWRGUYRKSA-N 1 3 198.354 2.282 10 0 AEAEHO CC[C@@H](C)[NH2+]CC[C@@H](N)C(C)(C)C 129599065 573345920 /nfs/dbraw/zinc/34/59/20/573345920.db2.gz DWRZRJMZTKVHMJ-NXEZZACHSA-N 1 3 186.343 2.138 10 0 AEAEHO CC[C@H](C)[NH2+]CC[C@@H](N)C(C)(C)C 129599275 573350649 /nfs/dbraw/zinc/35/06/49/573350649.db2.gz DWRZRJMZTKVHMJ-VHSXEESVSA-N 1 3 186.343 2.138 10 0 AEAEHO CC(C)(C)[C@H](N)CC[NH2+]C1CCCC1 129600363 573350681 /nfs/dbraw/zinc/35/06/81/573350681.db2.gz OMNHBMDDOFOGNT-LLVKDONJSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCCCN1CCC(C)(C)[C@H]([NH3+])C1 259424702 573351781 /nfs/dbraw/zinc/35/17/81/573351781.db2.gz ZRIOZFFHAIELAC-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)[C@H](C)[N@@H+]1CC[C@H](N)[C@H](C)[C@H]1C 86303453 573353656 /nfs/dbraw/zinc/35/36/56/573353656.db2.gz QIHQVVFNACNOOV-KXNHARMFSA-N 1 3 198.354 2.089 10 0 AEAEHO CC(C)[C@H](C)[N@H+]1CC[C@H](N)[C@H](C)[C@H]1C 86303453 573353661 /nfs/dbraw/zinc/35/36/61/573353661.db2.gz QIHQVVFNACNOOV-KXNHARMFSA-N 1 3 198.354 2.089 10 0 AEAEHO CC(C)CC[N@@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 86302994 573353973 /nfs/dbraw/zinc/35/39/73/573353973.db2.gz XHMCNJQXIHGLKM-TUAOUCFPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)CC[N@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 86302994 573353979 /nfs/dbraw/zinc/35/39/79/573353979.db2.gz XHMCNJQXIHGLKM-TUAOUCFPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)CC[N@@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 86302990 573354013 /nfs/dbraw/zinc/35/40/13/573354013.db2.gz XHMCNJQXIHGLKM-SRVKXCTJSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)CC[N@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 86302990 573354018 /nfs/dbraw/zinc/35/40/18/573354018.db2.gz XHMCNJQXIHGLKM-SRVKXCTJSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](CN)[C@@H](C)[NH+]1CCCCCCC1 86311387 573359034 /nfs/dbraw/zinc/35/90/34/573359034.db2.gz NMFSXWDEKUAXQQ-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H](CN)[C@H](C)[N@@H+]1CCCC(C)(C)C1 86312690 573359322 /nfs/dbraw/zinc/35/93/22/573359322.db2.gz SDEPJWISXMEQDK-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](CN)[C@H](C)[N@H+]1CCCC(C)(C)C1 86312690 573359330 /nfs/dbraw/zinc/35/93/30/573359330.db2.gz SDEPJWISXMEQDK-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO C[NH2+]C(C)(C)CN[C@H]1CCCC1(C)C 393663088 573364155 /nfs/dbraw/zinc/36/41/55/573364155.db2.gz YUJYVDYOOHMGKS-JTQLQIEISA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)(C)[C@H](N)CC[NH2+]CCC1CC1 129624663 573373118 /nfs/dbraw/zinc/37/31/18/573373118.db2.gz KFZCOKMFZVXTBW-LLVKDONJSA-N 1 3 198.354 2.140 10 0 AEAEHO CCN[C@@H](C)CC[NH2+]C[C@@H](C)C1CC1 133201933 573385707 /nfs/dbraw/zinc/38/57/07/573385707.db2.gz RSQMTKOWOKEAIW-MNOVXSKESA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[C@@H]1C[N@@H+](C2CCC2)CCCN1 83106089 573401353 /nfs/dbraw/zinc/40/13/53/573401353.db2.gz CPUYYSIWPQSECF-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[C@@H]1C[N@H+](C2CCC2)CCCN1 83106089 573401367 /nfs/dbraw/zinc/40/13/67/573401367.db2.gz CPUYYSIWPQSECF-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[C@@H]1CN(C2CCC2)CCC[NH2+]1 83106089 573401368 /nfs/dbraw/zinc/40/13/68/573401368.db2.gz CPUYYSIWPQSECF-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H]([NH2+][C@@H]1CC[C@H](N)C1)C1CCCC1 86400776 573403474 /nfs/dbraw/zinc/40/34/74/573403474.db2.gz FARAIUMTWNXNHH-ADEWGFFLSA-N 1 3 196.338 2.035 10 0 AEAEHO N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)C1 86398343 573403546 /nfs/dbraw/zinc/40/35/46/573403546.db2.gz VFNLLWBKEXUOCA-RYUDHWBXSA-N 1 3 196.338 2.036 10 0 AEAEHO N[C@@H]1CC[C@H]([NH2+]CC2CCCCC2)C1 86398345 573403563 /nfs/dbraw/zinc/40/35/63/573403563.db2.gz VFNLLWBKEXUOCA-NEPJUHHUSA-N 1 3 196.338 2.036 10 0 AEAEHO CCCCCCN1CC[C@H]([NH3+])C1(C)C 308576707 573404468 /nfs/dbraw/zinc/40/44/68/573404468.db2.gz NCAYUTWXAWYINY-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](N)C2)C1 86398328 573405357 /nfs/dbraw/zinc/40/53/57/573405357.db2.gz WFIXHICCSXAJJN-NOOOWODRSA-N 1 3 196.338 2.035 10 0 AEAEHO CC1CCC([NH2+][C@H]2CC[C@@H](N)C2)CC1 86397270 573405869 /nfs/dbraw/zinc/40/58/69/573405869.db2.gz PBSUCQHGMMVVAO-RSJDFQLWSA-N 1 3 196.338 2.035 10 0 AEAEHO N[C@@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 86398344 573408052 /nfs/dbraw/zinc/40/80/52/573408052.db2.gz VFNLLWBKEXUOCA-VXGBXAGGSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[N@H+](C1CCCC1)[C@@H]1CC[C@H](N)C1 86410275 573414648 /nfs/dbraw/zinc/41/46/48/573414648.db2.gz RKDFUXQNCYERDA-CMPLNLGQSA-N 1 3 196.338 2.131 10 0 AEAEHO CC[N@@H+](C1CCCC1)[C@@H]1CC[C@H](N)C1 86410275 573414655 /nfs/dbraw/zinc/41/46/55/573414655.db2.gz RKDFUXQNCYERDA-CMPLNLGQSA-N 1 3 196.338 2.131 10 0 AEAEHO CN(C)[C@H](C(C)(C)C)C1(C[NH3+])CCC1 259443019 573416339 /nfs/dbraw/zinc/41/63/39/573416339.db2.gz IWXYOFGSGUBNCD-SNVBAGLBSA-N 1 3 198.354 2.092 10 0 AEAEHO N[C@@H]1CC[C@H]([NH+]2CCCCCCC2)C1 86409992 573418995 /nfs/dbraw/zinc/41/89/95/573418995.db2.gz BNHCBVSBKNTSLR-NEPJUHHUSA-N 1 3 196.338 2.132 10 0 AEAEHO C[C@H]1CCC[C@@H](C)[N@@H+]1[C@@H]1CC[C@H](N)C1 86409829 573419033 /nfs/dbraw/zinc/41/90/33/573419033.db2.gz BVZYDDSEVHQDSQ-WHOHXGKFSA-N 1 3 196.338 2.129 10 0 AEAEHO C[C@H]1CCC[C@@H](C)[N@H+]1[C@@H]1CC[C@H](N)C1 86409829 573419039 /nfs/dbraw/zinc/41/90/39/573419039.db2.gz BVZYDDSEVHQDSQ-WHOHXGKFSA-N 1 3 196.338 2.129 10 0 AEAEHO C[N@H+](CC(C)(C)C)[C@H]1CCC[C@H](N)C1 86432596 573423318 /nfs/dbraw/zinc/42/33/18/573423318.db2.gz NEYJRQSPSQYBQT-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO C[N@@H+](CC(C)(C)C)[C@H]1CCC[C@H](N)C1 86432596 573423323 /nfs/dbraw/zinc/42/33/23/573423323.db2.gz NEYJRQSPSQYBQT-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCC[N@H+]1CCC[C@H](CN)C1(C)C 259448794 573440281 /nfs/dbraw/zinc/44/02/81/573440281.db2.gz PBAOCMGKZJOCEF-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@@H+]1CCC[C@H](CN)C1(C)C 259448794 573440274 /nfs/dbraw/zinc/44/02/74/573440274.db2.gz PBAOCMGKZJOCEF-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC(C)(C)[N@@H+]1CC[C@@H](NCC)C1 126244700 573443519 /nfs/dbraw/zinc/44/35/19/573443519.db2.gz CQYVPYQYECFOEQ-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC(C)(C)[N@H+]1CC[C@@H](NCC)C1 126244700 573443527 /nfs/dbraw/zinc/44/35/27/573443527.db2.gz CQYVPYQYECFOEQ-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC1CC[NH+](C[C@H](C)CN)CC1 50893182 573445962 /nfs/dbraw/zinc/44/59/62/573445962.db2.gz ZJUNCIIAUXJKJI-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CCCC1CCN(C[C@H](C)C[NH3+])CC1 50893182 573445970 /nfs/dbraw/zinc/44/59/70/573445970.db2.gz ZJUNCIIAUXJKJI-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H]1CCC[N@H+](CC[C@@H](C)N)CC1 70613169 571688802 /nfs/dbraw/zinc/68/88/02/571688802.db2.gz QLFIXIYQGCQIOK-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H]1CCC[N@@H+](CC[C@@H](C)N)CC1 70613169 571688803 /nfs/dbraw/zinc/68/88/03/571688803.db2.gz QLFIXIYQGCQIOK-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)CN(C)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 37108360 571688812 /nfs/dbraw/zinc/68/88/12/571688812.db2.gz HFOZNPJRYKIIQG-IJLUTSLNSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@@H](CCN)[NH2+]CCCC(C)(C)C 300806039 571943325 /nfs/dbraw/zinc/94/33/25/571943325.db2.gz FEYFMDZYVZWYFB-JTQLQIEISA-N 1 3 186.343 2.140 10 0 AEAEHO CC(C)CCC[N@@H+]1CCC[C@@H]1CCN 308591894 573459525 /nfs/dbraw/zinc/45/95/25/573459525.db2.gz PKVVGZPFWVTADT-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)CCC[N@H+]1CCC[C@@H]1CCN 308591894 573459533 /nfs/dbraw/zinc/45/95/33/573459533.db2.gz PKVVGZPFWVTADT-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@](N)(C(C)C)[C@@H]1CCCCC[NH2+]1 687688555 571961591 /nfs/dbraw/zinc/96/15/91/571961591.db2.gz XBVMRHFEIGXZQK-NWDGAFQWSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCC[C@H](C)[NH2+]CC[C@H](N)C1CC1 130084678 573465176 /nfs/dbraw/zinc/46/51/76/573465176.db2.gz PWELLFLATXNVRH-JQWIXIFHSA-N 1 3 198.354 2.282 10 0 AEAEHO CC(C)CC[N@H+](C[C@H](C)CN)C1CC1 109271972 571972686 /nfs/dbraw/zinc/97/26/86/571972686.db2.gz QPKAYDTYHBVHAW-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[N@@H+](C[C@H](C)CN)C1CC1 109271972 571972688 /nfs/dbraw/zinc/97/26/88/571972688.db2.gz QPKAYDTYHBVHAW-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CCN(C[C@H](C)C[NH3+])C1CC1 109271972 571972691 /nfs/dbraw/zinc/97/26/91/571972691.db2.gz QPKAYDTYHBVHAW-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[NH2+]CCCN1CCCC[C@H]1CC 33943696 572000999 /nfs/dbraw/zinc/00/09/99/572000999.db2.gz UNIVJAJCEVKJAS-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCNCCC[N@@H+]1CCCC[C@H]1CC 33943696 572001001 /nfs/dbraw/zinc/00/10/01/572001001.db2.gz UNIVJAJCEVKJAS-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCNCCC[N@H+]1CCCC[C@H]1CC 33943696 572001002 /nfs/dbraw/zinc/00/10/02/572001002.db2.gz UNIVJAJCEVKJAS-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCN(CCC)CC[C@@H]1CCC[NH2+]1 42171771 572008561 /nfs/dbraw/zinc/00/85/61/572008561.db2.gz SXZDBEMOYZRHRJ-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[N@H+](CC1CCC1)[C@@H](C)[C@H](C)CN 300239113 572018445 /nfs/dbraw/zinc/01/84/45/572018445.db2.gz ZFORPXPGBDDSGQ-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](CC1CCC1)[C@@H](C)[C@H](C)CN 300239113 572018446 /nfs/dbraw/zinc/01/84/46/572018446.db2.gz ZFORPXPGBDDSGQ-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(C)N(C)CC[C@H]1CCC[NH2+]1 69015559 572022766 /nfs/dbraw/zinc/02/27/66/572022766.db2.gz DTHLFUWAZGYHJH-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO [NH3+][C@H](C1CCCCC1)[C@@H]1CCCCN1 259474321 573492346 /nfs/dbraw/zinc/49/23/46/573492346.db2.gz RYNBGUUWWOOGQF-NWDGAFQWSA-N 1 3 196.338 2.036 10 0 AEAEHO CCC[C@H]1CCCC[N@H+]1CC[C@@H](C)N 212882824 572045083 /nfs/dbraw/zinc/04/50/83/572045083.db2.gz DHEAFGIQKXTISE-NEPJUHHUSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[NH+](CCC)[C@H](CC)CCN 36677465 572058546 /nfs/dbraw/zinc/05/85/46/572058546.db2.gz YUTVCROFMVSKHM-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[N@H+](C[C@H]1CCCNC1)C(C)C 37096358 572089655 /nfs/dbraw/zinc/08/96/55/572089655.db2.gz ARAIYHRGKKZYCU-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@@H+](C[C@H]1CCCNC1)C(C)C 37096358 572089657 /nfs/dbraw/zinc/08/96/57/572089657.db2.gz ARAIYHRGKKZYCU-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO [NH3+][C@H](C1CCCCC1)[C@H]1CCCCN1 259474323 573493591 /nfs/dbraw/zinc/49/35/91/573493591.db2.gz RYNBGUUWWOOGQF-VXGBXAGGSA-N 1 3 196.338 2.036 10 0 AEAEHO CCC[C@@H](C)[N@H+](C)[C@@H]1CCCNCC1 82666715 572078404 /nfs/dbraw/zinc/07/84/04/572078404.db2.gz UPBMZAZKMCGPFC-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCNCC1 82666715 572078406 /nfs/dbraw/zinc/07/84/06/572078406.db2.gz UPBMZAZKMCGPFC-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+]C(C)(C)CNC1(C)CCCC1 82785841 572111264 /nfs/dbraw/zinc/11/12/64/572111264.db2.gz DXUIZQHQGIANAK-UHFFFAOYSA-N 1 3 198.354 2.297 10 0 AEAEHO CC(C)NCCC[NH2+]C1(C)CCCC1 82785803 572111566 /nfs/dbraw/zinc/11/15/66/572111566.db2.gz YBDTXVXFDWEBNC-UHFFFAOYSA-N 1 3 198.354 2.297 10 0 AEAEHO CCCC[C@H](C)C[NH2+][C@H](C)CCN 300940293 572111618 /nfs/dbraw/zinc/11/16/18/572111618.db2.gz NRMJIQHFBDTQSH-WDEREUQCSA-N 1 3 186.343 2.140 10 0 AEAEHO CCNC[C@@H](C)C[NH2+]C1(C)CCCC1 82785885 572111731 /nfs/dbraw/zinc/11/17/31/572111731.db2.gz WYLJJSREJNPKRX-LLVKDONJSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC(CC)(CC)[N@@H+]1CC[C@@H](CN)C1 83388193 572208209 /nfs/dbraw/zinc/20/82/09/572208209.db2.gz FWIBDYAZEAAHDV-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)(CC)[N@H+]1CC[C@@H](CN)C1 83388193 572208210 /nfs/dbraw/zinc/20/82/10/572208210.db2.gz FWIBDYAZEAAHDV-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC1CC[NH+](C[C@@H](CC)CN)CC1 83607623 572343297 /nfs/dbraw/zinc/34/32/97/572343297.db2.gz RWTHEPHURMWZSJ-LBPRGKRZSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](CN)C[N@@H+]1[C@@H](C)CCC[C@H]1C 83606597 572343377 /nfs/dbraw/zinc/34/33/77/572343377.db2.gz ACXCCXLNMJTRTL-GRYCIOLGSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](CN)C[N@H+]1[C@@H](C)CCC[C@H]1C 83606597 572343379 /nfs/dbraw/zinc/34/33/79/572343379.db2.gz ACXCCXLNMJTRTL-GRYCIOLGSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[NH2+][C@@H]1CCC[C@H](N2CCCC2)C1 86598842 573505989 /nfs/dbraw/zinc/50/59/89/573505989.db2.gz VGWFANNDQGSPQK-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CCN[C@@H]1CCC[C@H]([NH+]2CCCC2)C1 86598842 573505996 /nfs/dbraw/zinc/50/59/96/573505996.db2.gz VGWFANNDQGSPQK-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[C@@H](CN)C[N@@H+]1CCCC[C@@H]1C 83606297 572346777 /nfs/dbraw/zinc/34/67/77/572346777.db2.gz WJXNWLPEENLTFU-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](CN)C[N@H+]1CCCC[C@@H]1C 83606297 572346781 /nfs/dbraw/zinc/34/67/81/572346781.db2.gz WJXNWLPEENLTFU-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](CN)C[N@@H+]1CCCC[C@@H]1CC 83606745 572346824 /nfs/dbraw/zinc/34/68/24/572346824.db2.gz QUEQXCCOOYCAHO-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](CN)C[N@H+]1CCCC[C@@H]1CC 83606745 572346827 /nfs/dbraw/zinc/34/68/27/572346827.db2.gz QUEQXCCOOYCAHO-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](CN)C[N@H+](CC)[C@H](C)CC 83606847 572346838 /nfs/dbraw/zinc/34/68/38/572346838.db2.gz NNQQYUTUAQBMFM-MNOVXSKESA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H](CN)C[N@@H+](CC)[C@H](C)CC 83606847 572346840 /nfs/dbraw/zinc/34/68/40/572346840.db2.gz NNQQYUTUAQBMFM-MNOVXSKESA-N 1 3 186.343 2.092 10 0 AEAEHO C[C@H]([C@@H](N)CC1CCCCC1)[NH+](C)C 74236660 572437296 /nfs/dbraw/zinc/43/72/96/572437296.db2.gz QJHADASUPTTYCN-PWSUYJOCSA-N 1 3 198.354 2.234 10 0 AEAEHO CCN(CC)CCC[NH2+]CC1CCC1 83838292 572437306 /nfs/dbraw/zinc/43/73/06/572437306.db2.gz JUBWPYCOXLNJTI-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CC[C@H]1[C@@H](CN)CC[N@@H+]1CC(C)(C)C 713248713 572438117 /nfs/dbraw/zinc/43/81/17/572438117.db2.gz AEFBEKHZAAZFDK-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H]1[C@@H](CN)CC[N@H+]1CC(C)(C)C 713248713 572438121 /nfs/dbraw/zinc/43/81/21/572438121.db2.gz AEFBEKHZAAZFDK-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CCCCC[N@@H+]1CCC[C@H]1C[C@@H](C)N 308602009 573512390 /nfs/dbraw/zinc/51/23/90/573512390.db2.gz VDMPLWIFMQYYCE-NEPJUHHUSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCCC[N@H+]1CCC[C@H]1C[C@@H](C)N 308602009 573512399 /nfs/dbraw/zinc/51/23/99/573512399.db2.gz VDMPLWIFMQYYCE-NEPJUHHUSA-N 1 3 198.354 2.378 10 0 AEAEHO CN[C@H](C)CC[N@H+]1CCC[C@@H]1C(C)C 84125776 572504358 /nfs/dbraw/zinc/50/43/58/572504358.db2.gz ULGSJZPFRNYVAD-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC1([NH2+]C[C@H]2CCCN2)CCCCC1 45047231 572504718 /nfs/dbraw/zinc/50/47/18/572504718.db2.gz FPGPJUUMQSQXGP-LLVKDONJSA-N 1 3 196.338 2.051 10 0 AEAEHO CC1([NH2+]C[C@@H]2CCCN2)CCCCC1 45047230 572505471 /nfs/dbraw/zinc/50/54/71/572505471.db2.gz FPGPJUUMQSQXGP-NSHDSACASA-N 1 3 196.338 2.051 10 0 AEAEHO C[N@H+]([C@H]1CCNC(C)(C)C1)C(C)(C)C 258730591 573513919 /nfs/dbraw/zinc/51/39/19/573513919.db2.gz HDJBNAGPQPXMSN-JTQLQIEISA-N 1 3 198.354 2.247 10 0 AEAEHO C[N@@H+]([C@H]1CCNC(C)(C)C1)C(C)(C)C 258730591 573513928 /nfs/dbraw/zinc/51/39/28/573513928.db2.gz HDJBNAGPQPXMSN-JTQLQIEISA-N 1 3 198.354 2.247 10 0 AEAEHO CCCCC[C@@H](C)[NH2+]C1CC(N)C1 87651361 572635464 /nfs/dbraw/zinc/63/54/64/572635464.db2.gz LKZLFHMLIHMFMB-KPPDAEKUSA-N 1 3 184.327 2.035 10 0 AEAEHO CCCCC[C@@H](C)NC1CC([NH3+])C1 87651361 572635467 /nfs/dbraw/zinc/63/54/67/572635467.db2.gz LKZLFHMLIHMFMB-KPPDAEKUSA-N 1 3 184.327 2.035 10 0 AEAEHO CCC(CC)C[NH2+]C[C@H]1CCC[C@H]1N 130416657 573535476 /nfs/dbraw/zinc/53/54/76/573535476.db2.gz IHDXEBQKOFHDLC-VXGBXAGGSA-N 1 3 198.354 2.140 10 0 AEAEHO CN1CCC[C@H]1CC1([NH3+])CCCCC1 258054074 573536186 /nfs/dbraw/zinc/53/61/86/573536186.db2.gz PFOOWYQXAXLISA-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO CCC(CC)C[NH2+]CC[C@H](N)C1CC1 130427591 573536326 /nfs/dbraw/zinc/53/63/26/573536326.db2.gz YDIARBQQFVJKJZ-LBPRGKRZSA-N 1 3 198.354 2.140 10 0 AEAEHO CCC(C)(C)C[NH2+]C(C)(C)CCN 258766410 573541668 /nfs/dbraw/zinc/54/16/68/573541668.db2.gz HKXUHRVLTMKTJN-UHFFFAOYSA-N 1 3 186.343 2.140 10 0 AEAEHO CC[NH2+]C[C@H](C)[C@H](C)N(CC)C1CC1 87947297 572760346 /nfs/dbraw/zinc/76/03/46/572760346.db2.gz RUDKPXWDJVCYOX-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@H](C)[C@H](C)[N@H+](CC)C1CC1 87947297 572760348 /nfs/dbraw/zinc/76/03/48/572760348.db2.gz RUDKPXWDJVCYOX-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@H](C)[C@H](C)[N@@H+](CC)C1CC1 87947297 572760352 /nfs/dbraw/zinc/76/03/52/572760352.db2.gz RUDKPXWDJVCYOX-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+]C[C@@H](C)[C@H](C)N1CCCCC1 87947106 572760367 /nfs/dbraw/zinc/76/03/67/572760367.db2.gz BYYBGQFVEWYHQH-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H]1C[C@@H]([N@H+](CC)C(C)C)CCN1 307765910 572784623 /nfs/dbraw/zinc/78/46/23/572784623.db2.gz BBUALRAKTWQFIO-NEPJUHHUSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H]1C[C@@H]([N@@H+](CC)C(C)C)CCN1 307765910 572784625 /nfs/dbraw/zinc/78/46/25/572784625.db2.gz BBUALRAKTWQFIO-NEPJUHHUSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H](C)[N@H+](C)[C@@H]1CCN[C@H](CC)C1 307766677 572787128 /nfs/dbraw/zinc/78/71/28/572787128.db2.gz FFSCAVHSXYDYGL-QJPTWQEYSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H](C)[N@@H+](C)[C@@H]1CCN[C@H](CC)C1 307766677 572787130 /nfs/dbraw/zinc/78/71/30/572787130.db2.gz FFSCAVHSXYDYGL-QJPTWQEYSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H](C)[NH+]1CC[C@@H](C)N[C@H](C)CC1 49664373 572798206 /nfs/dbraw/zinc/79/82/06/572798206.db2.gz PTNUTTVQPNVHQA-UTUOFQBUSA-N 1 3 198.354 2.247 10 0 AEAEHO CC(C)CC[C@H]1CCC[N@H+](C)C[C@@H]1N 75124783 572827971 /nfs/dbraw/zinc/82/79/71/572827971.db2.gz GLJBZCPNLOTCOK-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[C@H]1CCC[N@@H+](C)C[C@@H]1N 75124783 572827975 /nfs/dbraw/zinc/82/79/75/572827975.db2.gz GLJBZCPNLOTCOK-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCCCN(C)C[C@@H]1CC[NH2+][C@@H]1C 86272589 572903801 /nfs/dbraw/zinc/90/38/01/572903801.db2.gz OTJDFMTUXCWZQA-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCCN(C)C[C@H]1CC[NH2+][C@@H]1C 86272590 572903879 /nfs/dbraw/zinc/90/38/79/572903879.db2.gz OTJDFMTUXCWZQA-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(CC)[N@H+](C)[C@@H](C)[C@@H](C)CN 86311740 572913512 /nfs/dbraw/zinc/91/35/12/572913512.db2.gz SQEKPQPFWFZURL-UWVGGRQHSA-N 1 3 186.343 2.090 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@@H](C)[C@@H](C)CN 86311740 572913515 /nfs/dbraw/zinc/91/35/15/572913515.db2.gz SQEKPQPFWFZURL-UWVGGRQHSA-N 1 3 186.343 2.090 10 0 AEAEHO CCC[N@H+](C(C)C)[C@H](C)[C@@H](C)CN 86311579 572913522 /nfs/dbraw/zinc/91/35/22/572913522.db2.gz ZPVRZINPUIPZND-WDEREUQCSA-N 1 3 186.343 2.090 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@H](C)[C@@H](C)CN 86311579 572913524 /nfs/dbraw/zinc/91/35/24/572913524.db2.gz ZPVRZINPUIPZND-WDEREUQCSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@H](C)[C@@H]1C[N@H+](CC)[C@@H](C)CCN1 224354977 573572980 /nfs/dbraw/zinc/57/29/80/573572980.db2.gz SVAVMMCJSOOBME-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[C@@H]1C[N@@H+](CC)[C@@H](C)CCN1 224354977 573572988 /nfs/dbraw/zinc/57/29/88/573572988.db2.gz SVAVMMCJSOOBME-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[C@@H]1CN(CC)[C@@H](C)CC[NH2+]1 224354977 573572993 /nfs/dbraw/zinc/57/29/93/573572993.db2.gz SVAVMMCJSOOBME-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)N(CC)C[C@@H]1CC[NH2+][C@H]1C 252605913 572925535 /nfs/dbraw/zinc/92/55/35/572925535.db2.gz QAXUVEIFBMOYLT-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)C[N@@H+](C)[C@@H]1CC[C@H](NC)C1 86618824 572966372 /nfs/dbraw/zinc/96/63/72/572966372.db2.gz WXQGFOUAYGULIQ-SDDRHHMPSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@@H]1CC[C@@H]([N@H+](CC)C(C)C)C1 86618715 572966664 /nfs/dbraw/zinc/96/66/64/572966664.db2.gz JTQKYVSIMIPEJI-VXGBXAGGSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@@H]1CC[C@@H]([N@@H+](CC)C(C)C)C1 86618715 572966666 /nfs/dbraw/zinc/96/66/66/572966666.db2.gz JTQKYVSIMIPEJI-VXGBXAGGSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[NH2+][C@@H]1CC[C@@H](N(C)C2CC2)C1 86618699 572966672 /nfs/dbraw/zinc/96/66/72/572966672.db2.gz RAKXDTCYPDQYTF-ZYHUDNBSSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC[NH2+][C@@H]1CC[C@H](N(CC)CC)C1 86618331 572966700 /nfs/dbraw/zinc/96/67/00/572966700.db2.gz DGKRTAMXSWYQGK-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+][C@@H]1CC[C@H](N(CC)C2CC2)C1 86618685 572966714 /nfs/dbraw/zinc/96/67/14/572966714.db2.gz KKRJSCBGWZCUBL-PWSUYJOCSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[NH2+][C@H]1CC[C@@H](N(CC)C2CC2)C1 86618688 572966719 /nfs/dbraw/zinc/96/67/19/572966719.db2.gz KKRJSCBGWZCUBL-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO CCN[C@H]1CC[C@@H]([N@H+](CC)C(C)C)C1 86618716 572966742 /nfs/dbraw/zinc/96/67/42/572966742.db2.gz JTQKYVSIMIPEJI-NWDGAFQWSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@H]1CC[C@@H]([N@@H+](CC)C(C)C)C1 86618716 572966744 /nfs/dbraw/zinc/96/67/44/572966744.db2.gz JTQKYVSIMIPEJI-NWDGAFQWSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@@H]1CC[C@H]([N@H+](C)CC(C)C)C1 86618771 572966773 /nfs/dbraw/zinc/96/67/73/572966773.db2.gz CWHZTKGTCUATPC-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@@H]1CC[C@H]([N@@H+](C)CC(C)C)C1 86618771 572966774 /nfs/dbraw/zinc/96/67/74/572966774.db2.gz CWHZTKGTCUATPC-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@H]1CC[C@H]([N@H+](C)CC(C)C)C1 86618772 572966807 /nfs/dbraw/zinc/96/68/07/572966807.db2.gz CWHZTKGTCUATPC-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@H]1CC[C@H]([N@@H+](C)CC(C)C)C1 86618772 572966808 /nfs/dbraw/zinc/96/68/08/572966808.db2.gz CWHZTKGTCUATPC-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@H+](CC)[C@@H]1CC[C@H](NCC)C1 86618739 572966824 /nfs/dbraw/zinc/96/68/24/572966824.db2.gz QTLLVACMKDWCCA-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+](CC)[C@@H]1CC[C@H](NCC)C1 86618739 572966826 /nfs/dbraw/zinc/96/68/26/572966826.db2.gz QTLLVACMKDWCCA-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@H]1CC[C@H]([N@H+](C)CC(C)(C)C)C1 86619234 572966834 /nfs/dbraw/zinc/96/68/34/572966834.db2.gz SBDFJEDIGYKZEV-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CC[C@H]([N@@H+](C)CC(C)(C)C)C1 86619234 572966836 /nfs/dbraw/zinc/96/68/36/572966836.db2.gz SBDFJEDIGYKZEV-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@H]1CC[C@H](N(C)CC(C)(C)C)C1 86619234 572966838 /nfs/dbraw/zinc/96/68/38/572966838.db2.gz SBDFJEDIGYKZEV-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+]C(C)(C)CNCC1CCCCC1 258801680 573585652 /nfs/dbraw/zinc/58/56/52/573585652.db2.gz DKDACNXDGKGRJN-UHFFFAOYSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[NH2+][C@H]1CC[C@@H](N(C)C(C)C)C1 86618437 572966874 /nfs/dbraw/zinc/96/68/74/572966874.db2.gz KFBIYEHXRYAMPU-NWDGAFQWSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[C@@H](C)[N@H+](C)[C@@H]1CC[C@@H]1CNC 87922378 573000284 /nfs/dbraw/zinc/00/02/84/573000284.db2.gz AGGQWLLVPSPTMH-IJLUTSLNSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1CNC 87922378 573000287 /nfs/dbraw/zinc/00/02/87/573000287.db2.gz AGGQWLLVPSPTMH-IJLUTSLNSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCN(CCC(N)=[NH2+])[C@@H](C)CC 42607927 573014270 /nfs/dbraw/zinc/01/42/70/573014270.db2.gz LXBLRABSBCPDCC-JTQLQIEISA-N 1 3 199.342 2.213 10 0 AEAEHO CC[C@H]1CC[N@H+](CCC(C)C)CCN1 49660901 573024709 /nfs/dbraw/zinc/02/47/09/573024709.db2.gz GHFJOMGUNIXIEI-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H]1CC[N@@H+](CCC(C)C)CCN1 49660901 573024710 /nfs/dbraw/zinc/02/47/10/573024710.db2.gz GHFJOMGUNIXIEI-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H]1CCN(CCC(C)C)CC[NH2+]1 49660901 573024711 /nfs/dbraw/zinc/02/47/11/573024711.db2.gz GHFJOMGUNIXIEI-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(CC)C[NH2+]CC1(CN)CCC1 130467305 573591422 /nfs/dbraw/zinc/59/14/22/573591422.db2.gz OFTFVDNNCNRVPA-UHFFFAOYSA-N 1 3 198.354 2.141 10 0 AEAEHO C[C@H]1CCCC[C@H]1[N@@H+](C)CC[C@@H](C)N 42607221 573028708 /nfs/dbraw/zinc/02/87/08/573028708.db2.gz GVJPMTMOYUOBSF-QJPTWQEYSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CCCC[C@H]1[N@H+](C)CC[C@@H](C)N 42607221 573028714 /nfs/dbraw/zinc/02/87/14/573028714.db2.gz GVJPMTMOYUOBSF-QJPTWQEYSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCCC[N@@H+]1CCCNC[C@H](C)C1 49663762 573028974 /nfs/dbraw/zinc/02/89/74/573028974.db2.gz YAUUIYLHPYLPOB-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO CCCCC[N@H+]1CCCNC[C@H](C)C1 49663762 573028976 /nfs/dbraw/zinc/02/89/76/573028976.db2.gz YAUUIYLHPYLPOB-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO CCCCC[N@@H+]1CCCN[C@@H](C)CC1 49663745 573029907 /nfs/dbraw/zinc/02/99/07/573029907.db2.gz CZAXFAAZMLTUCE-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCC[N@H+]1CCCN[C@@H](C)CC1 49663745 573029913 /nfs/dbraw/zinc/02/99/13/573029913.db2.gz CZAXFAAZMLTUCE-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCCN1CCC[NH2+][C@@H](C)CC1 49663745 573029918 /nfs/dbraw/zinc/02/99/18/573029918.db2.gz CZAXFAAZMLTUCE-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCC[N@@H+]1CCCN[C@H](C)CC1 49663743 573030163 /nfs/dbraw/zinc/03/01/63/573030163.db2.gz CZAXFAAZMLTUCE-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCC[N@H+]1CCCN[C@H](C)CC1 49663743 573030170 /nfs/dbraw/zinc/03/01/70/573030170.db2.gz CZAXFAAZMLTUCE-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCCN1CCC[NH2+][C@H](C)CC1 49663743 573030173 /nfs/dbraw/zinc/03/01/73/573030173.db2.gz CZAXFAAZMLTUCE-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCC[N@@H+]1CCCNC[C@@H](C)C1 49663764 573030458 /nfs/dbraw/zinc/03/04/58/573030458.db2.gz YAUUIYLHPYLPOB-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[NH2+][C@H]1CCN(C(C)C)[C@H](C)C1 49694204 573051697 /nfs/dbraw/zinc/05/16/97/573051697.db2.gz NOYHVDJLELUFCJ-NEPJUHHUSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[C@H]([NH3+])CCN1CCC(C)CC1 128536803 573063051 /nfs/dbraw/zinc/06/30/51/573063051.db2.gz CPMJHMVAKBRKNK-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H]([NH3+])CCN1CCC[C@H](C)C1 128539519 573063260 /nfs/dbraw/zinc/06/32/60/573063260.db2.gz PTKXDVKCDRZXIV-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](N)CC[NH+]1CCCCCC1 128539764 573063396 /nfs/dbraw/zinc/06/33/96/573063396.db2.gz IPUBQDNSWOIDGU-LBPRGKRZSA-N 1 3 198.354 2.380 10 0 AEAEHO CCC[C@H]([NH3+])CCN1CCCCCC1 128539764 573063403 /nfs/dbraw/zinc/06/34/03/573063403.db2.gz IPUBQDNSWOIDGU-LBPRGKRZSA-N 1 3 198.354 2.380 10 0 AEAEHO CCC[C@H](N)CC[N@H+](CC)CCC 128554056 573069149 /nfs/dbraw/zinc/06/91/49/573069149.db2.gz BUYJJRUMRCJTLY-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[C@H](N)CC[N@@H+](CC)CCC 128554056 573069153 /nfs/dbraw/zinc/06/91/53/573069153.db2.gz BUYJJRUMRCJTLY-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[C@H]([NH3+])CCN(CC)CCC 128554056 573069158 /nfs/dbraw/zinc/06/91/58/573069158.db2.gz BUYJJRUMRCJTLY-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[C@H](N)CC[N@H+](CC)CC1CC1 128646898 573092636 /nfs/dbraw/zinc/09/26/36/573092636.db2.gz KLXWXSDMLUWEQO-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](N)CC[N@@H+](CC)CC1CC1 128646898 573092641 /nfs/dbraw/zinc/09/26/41/573092641.db2.gz KLXWXSDMLUWEQO-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H]([NH3+])CCN(CC)CC1CC1 128646898 573092650 /nfs/dbraw/zinc/09/26/50/573092650.db2.gz KLXWXSDMLUWEQO-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@H]1CCCC[N@@H+]1CC(C)(C)[C@@H](C)N 85678133 573114893 /nfs/dbraw/zinc/11/48/93/573114893.db2.gz SORQVWUEUZFDKL-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CCC[N@@H+](CC(C)(C)[C@@H](C)N)C1 85678175 573118633 /nfs/dbraw/zinc/11/86/33/573118633.db2.gz CLBJQJBPENWHOV-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H]1CCC[N@H+](CC(C)(C)[C@@H](C)N)C1 85678175 573118640 /nfs/dbraw/zinc/11/86/40/573118640.db2.gz CLBJQJBPENWHOV-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)N1CC[C@H]([NH2+]C)C(C)(C)C1 259335026 573122307 /nfs/dbraw/zinc/12/23/07/573122307.db2.gz RWGYBGSWMOVDPR-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@@H+]1CC[C@H](NC)C(C)(C)C1 259335026 573122310 /nfs/dbraw/zinc/12/23/10/573122310.db2.gz RWGYBGSWMOVDPR-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@H+]1CC[C@H](NC)C(C)(C)C1 259335026 573122317 /nfs/dbraw/zinc/12/23/17/573122317.db2.gz RWGYBGSWMOVDPR-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H]([NH2+]C)[C@@](C)(CC)N1CCCC1 85749065 573135022 /nfs/dbraw/zinc/13/50/22/573135022.db2.gz ONHPEXOXXKTGCS-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](NC)[C@@](C)(CC)[NH+]1CCCC1 85749065 573135027 /nfs/dbraw/zinc/13/50/27/573135027.db2.gz ONHPEXOXXKTGCS-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CC1(C)CCC[N@H+]1[C@H]1CCCNCC1 82666907 573150816 /nfs/dbraw/zinc/15/08/16/573150816.db2.gz UKMKTSXLYQCTNI-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C1(C)CCCC1 82785574 573195641 /nfs/dbraw/zinc/19/56/41/573195641.db2.gz GXFCUBAZHPWCAA-MNOVXSKESA-N 1 3 196.338 2.131 10 0 AEAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1C1(C)CCCC1 82785574 573195646 /nfs/dbraw/zinc/19/56/46/573195646.db2.gz GXFCUBAZHPWCAA-MNOVXSKESA-N 1 3 196.338 2.131 10 0 AEAEHO CC1(NC[C@@]2(C)CCC[NH2+]2)CCCC1 82785831 573195727 /nfs/dbraw/zinc/19/57/27/573195727.db2.gz AFLBLIUNZMZMDE-GFCCVEGCSA-N 1 3 196.338 2.051 10 0 AEAEHO CC1([NH2+]C[C@@]2(C)CCCN2)CCCC1 82785831 573195734 /nfs/dbraw/zinc/19/57/34/573195734.db2.gz AFLBLIUNZMZMDE-GFCCVEGCSA-N 1 3 196.338 2.051 10 0 AEAEHO CNC1CC[NH+](C2(C)CCCC2)CC1 82785582 573195803 /nfs/dbraw/zinc/19/58/03/573195803.db2.gz CFQMYONVRDPADU-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO C[NH2+]C1CCN(C2(C)CCCC2)CC1 82785582 573195808 /nfs/dbraw/zinc/19/58/08/573195808.db2.gz CFQMYONVRDPADU-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H]1C[C@H](N)CC[N@@H+]1C1(C)CCCC1 82785573 573195907 /nfs/dbraw/zinc/19/59/07/573195907.db2.gz GXFCUBAZHPWCAA-WDEREUQCSA-N 1 3 196.338 2.131 10 0 AEAEHO C[C@H]1C[C@H](N)CC[N@H+]1C1(C)CCCC1 82785573 573195914 /nfs/dbraw/zinc/19/59/14/573195914.db2.gz GXFCUBAZHPWCAA-WDEREUQCSA-N 1 3 196.338 2.131 10 0 AEAEHO CCN[C@H]1CC[N@@H+](C2(C)CCCC2)C1 82785584 573196070 /nfs/dbraw/zinc/19/60/70/573196070.db2.gz SSHVQQMIWWOZGZ-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CCN[C@H]1CC[N@H+](C2(C)CCCC2)C1 82785584 573196073 /nfs/dbraw/zinc/19/60/73/573196073.db2.gz SSHVQQMIWWOZGZ-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H](CCN)[N@H+](C)CC1(C)CCCC1 308645912 573600493 /nfs/dbraw/zinc/60/04/93/573600493.db2.gz HIDNGSSJBBMKLV-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H](CCN)[N@@H+](C)CC1(C)CCCC1 308645912 573600499 /nfs/dbraw/zinc/60/04/99/573600499.db2.gz HIDNGSSJBBMKLV-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)C[N@H+](C)[C@@H](C)CCN 129105911 573228660 /nfs/dbraw/zinc/22/86/60/573228660.db2.gz GNEPCRABBWVULQ-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CCC(CC)C[N@@H+](C)[C@@H](C)CCN 129105911 573228668 /nfs/dbraw/zinc/22/86/68/573228668.db2.gz GNEPCRABBWVULQ-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO C[C@@H]1CC[C@H]1[NH2+]CC[C@@H](N)C(C)(C)C 308527599 573236949 /nfs/dbraw/zinc/23/69/49/573236949.db2.gz JRQDUUPFVAHTOX-GMTAPVOTSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)CCC1(N(C)C)CC[NH2+]CC1 258604109 573236415 /nfs/dbraw/zinc/23/64/15/573236415.db2.gz NNECTXCFVFAKPS-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](C)[N@@H+]1CCC[C@H]1C[C@@H](C)N 308529182 573244404 /nfs/dbraw/zinc/24/44/04/573244404.db2.gz BVRIOGOMEFRCHJ-WOPDTQHZSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC[C@H](C)[N@H+]1CCC[C@H]1C[C@@H](C)N 308529182 573244409 /nfs/dbraw/zinc/24/44/09/573244409.db2.gz BVRIOGOMEFRCHJ-WOPDTQHZSA-N 1 3 198.354 2.377 10 0 AEAEHO CCN(CC)CC[C@@H](C=C(C)C)[NH2+]C 86059091 573244438 /nfs/dbraw/zinc/24/44/38/573244438.db2.gz BBBZRLPVQAYRPL-LBPRGKRZSA-N 1 3 198.354 2.273 10 0 AEAEHO CCC[C@H](C)[N@@H+]1CCC[C@H]1C[C@H](C)N 308529181 573244485 /nfs/dbraw/zinc/24/44/85/573244485.db2.gz BVRIOGOMEFRCHJ-SRVKXCTJSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC[C@H](C)[N@H+]1CCC[C@H]1C[C@H](C)N 308529181 573244493 /nfs/dbraw/zinc/24/44/93/573244493.db2.gz BVRIOGOMEFRCHJ-SRVKXCTJSA-N 1 3 198.354 2.377 10 0 AEAEHO CCCC[C@@H](C)N1CCC([NH2+]C)CC1 50889001 573258764 /nfs/dbraw/zinc/25/87/64/573258764.db2.gz FQMLMEGXNXIVMX-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[C@@H](C)[NH+]1CCC(NC)CC1 50889001 573258766 /nfs/dbraw/zinc/25/87/66/573258766.db2.gz FQMLMEGXNXIVMX-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[N@H+](CC[C@@H](N)C(C)C)C(C)C 129209834 573258857 /nfs/dbraw/zinc/25/88/57/573258857.db2.gz XHCXTYLEWQLWAW-LLVKDONJSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[N@@H+](CC[C@@H](N)C(C)C)C(C)C 129209834 573258866 /nfs/dbraw/zinc/25/88/66/573258866.db2.gz XHCXTYLEWQLWAW-LLVKDONJSA-N 1 3 186.343 2.090 10 0 AEAEHO CCN(CC[C@@H]([NH3+])C(C)C)C(C)C 129209834 573258873 /nfs/dbraw/zinc/25/88/73/573258873.db2.gz XHCXTYLEWQLWAW-LLVKDONJSA-N 1 3 186.343 2.090 10 0 AEAEHO CCCN(CC[C@@H]([NH3+])C(C)C)C1CC1 129211253 573258975 /nfs/dbraw/zinc/25/89/75/573258975.db2.gz AOLPCAFEBQPIPS-GFCCVEGCSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCCC[N@@H+]1C[C@H](NC)CC1(C)C 259397298 573259003 /nfs/dbraw/zinc/25/90/03/573259003.db2.gz MBKNDZTUQABTIS-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[N@H+]1C[C@H](NC)CC1(C)C 259397298 573259007 /nfs/dbraw/zinc/25/90/07/573259007.db2.gz MBKNDZTUQABTIS-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO C[C@H](N(C)[C@H](C)CC(N)=[NH2+])C(C)(C)C 42782830 573262865 /nfs/dbraw/zinc/26/28/65/573262865.db2.gz YCILJYAFWOWQGJ-BDAKNGLRSA-N 1 3 199.342 2.067 10 0 AEAEHO CCC[C@](C)([NH3+])CN[C@@H]1CCC1(C)C 308541453 573290058 /nfs/dbraw/zinc/29/00/58/573290058.db2.gz OCHGZFDKAGNYCX-PWSUYJOCSA-N 1 3 198.354 2.282 10 0 AEAEHO C[C@H]1CC[NH2+]C2(CCCCC2)CN1C 82942726 573312220 /nfs/dbraw/zinc/31/22/20/573312220.db2.gz LFXJYFIFPSOBRC-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H]1CCNC2(CCCCC2)C[N@@H+]1C 82942726 573312222 /nfs/dbraw/zinc/31/22/22/573312222.db2.gz LFXJYFIFPSOBRC-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H]1CCNC2(CCCCC2)C[N@H+]1C 82942726 573312223 /nfs/dbraw/zinc/31/22/23/573312223.db2.gz LFXJYFIFPSOBRC-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H](C)C[C@@](CC)(C[NH3+])N1CCC1 308547272 573312394 /nfs/dbraw/zinc/31/23/94/573312394.db2.gz QDIPYGAJLYLXMH-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+]1CCCNC2(CCCC2)C1 82941653 573312809 /nfs/dbraw/zinc/31/28/09/573312809.db2.gz PNNJXNPNRFMJJJ-UHFFFAOYSA-N 1 3 196.338 2.005 10 0 AEAEHO CCC[N@H+]1CCCNC2(CCCC2)C1 82941653 573312814 /nfs/dbraw/zinc/31/28/14/573312814.db2.gz PNNJXNPNRFMJJJ-UHFFFAOYSA-N 1 3 196.338 2.005 10 0 AEAEHO CCCN1CCC[NH2+]C2(CCCC2)C1 82941653 573312819 /nfs/dbraw/zinc/31/28/19/573312819.db2.gz PNNJXNPNRFMJJJ-UHFFFAOYSA-N 1 3 196.338 2.005 10 0 AEAEHO C[C@H]1CCCCC[C@H]1[NH2+]C[C@H](C)CN 308560717 573333403 /nfs/dbraw/zinc/33/34/03/573333403.db2.gz FADSHUCSQTUYOT-GRYCIOLGSA-N 1 3 198.354 2.140 10 0 AEAEHO CCCC(CCC)[N@@H+]1CC[C@@H](CN)C1 50245413 573336594 /nfs/dbraw/zinc/33/65/94/573336594.db2.gz XDWMEQUKUNUZMO-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC(CCC)[N@H+]1CC[C@@H](CN)C1 50245413 573336597 /nfs/dbraw/zinc/33/65/97/573336597.db2.gz XDWMEQUKUNUZMO-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)C[C@H](C)[NH2+]C[C@]1(C)CCCN1 308559706 573336809 /nfs/dbraw/zinc/33/68/09/573336809.db2.gz WMXODLABPYWSRI-RYUDHWBXSA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@H+]1CC(C)(C)C 86304148 573356646 /nfs/dbraw/zinc/35/66/46/573356646.db2.gz HTVZUMDSRPNFCZ-DCAQKATOSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@@H+]1CC(C)(C)C 86304148 573356649 /nfs/dbraw/zinc/35/66/49/573356649.db2.gz HTVZUMDSRPNFCZ-DCAQKATOSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H]1[C@H](C)[C@@H]([NH3+])CCN1CC(C)(C)C 86304148 573356655 /nfs/dbraw/zinc/35/66/55/573356655.db2.gz HTVZUMDSRPNFCZ-DCAQKATOSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)[N@@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 86303451 573356733 /nfs/dbraw/zinc/35/67/33/573356733.db2.gz QIHQVVFNACNOOV-BJDJZHNGSA-N 1 3 198.354 2.089 10 0 AEAEHO CC(C)[C@H](C)[N@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 86303451 573356741 /nfs/dbraw/zinc/35/67/41/573356741.db2.gz QIHQVVFNACNOOV-BJDJZHNGSA-N 1 3 198.354 2.089 10 0 AEAEHO CCC(CC)[N@@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303266 573356529 /nfs/dbraw/zinc/35/65/29/573356529.db2.gz DKUKRWGQGFHVNU-SCVCMEIPSA-N 1 3 198.354 2.233 10 0 AEAEHO CCC(CC)[N@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303266 573356533 /nfs/dbraw/zinc/35/65/33/573356533.db2.gz DKUKRWGQGFHVNU-SCVCMEIPSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@@H](CN)[C@@H](C)[NH+]1CCC(C)(C)CC1 86312396 573361361 /nfs/dbraw/zinc/36/13/61/573361361.db2.gz GIDXTUQQBKVVRS-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@@H](N)CC[NH2+][C@@H]1CCC1(C)C 308562075 573361010 /nfs/dbraw/zinc/36/10/10/573361010.db2.gz XYHYMMDUCBEBDN-GHMZBOCLSA-N 1 3 198.354 2.282 10 0 AEAEHO CCC[C@@H]([NH3+])CCN[C@@H]1CCC1(C)C 308562075 573361014 /nfs/dbraw/zinc/36/10/14/573361014.db2.gz XYHYMMDUCBEBDN-GHMZBOCLSA-N 1 3 198.354 2.282 10 0 AEAEHO CC(C)CC[NH2+][C@@H]1CCNC(C)(C)C1 258638187 573361080 /nfs/dbraw/zinc/36/10/80/573361080.db2.gz DUTFOTAMPWWBPD-LLVKDONJSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](N)CC[NH2+][C@@H]1CCC1(C)C 308562078 573363717 /nfs/dbraw/zinc/36/37/17/573363717.db2.gz XYHYMMDUCBEBDN-WDEREUQCSA-N 1 3 198.354 2.282 10 0 AEAEHO CCC[C@H]([NH3+])CCN[C@@H]1CCC1(C)C 308562078 573363724 /nfs/dbraw/zinc/36/37/24/573363724.db2.gz XYHYMMDUCBEBDN-WDEREUQCSA-N 1 3 198.354 2.282 10 0 AEAEHO CC(C)CC[NH2+][C@H]1CCNC(C)(C)C1 258638189 573363752 /nfs/dbraw/zinc/36/37/52/573363752.db2.gz DUTFOTAMPWWBPD-NSHDSACASA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](N)CC[NH2+][C@H]1CCC1(C)C 308562077 573363109 /nfs/dbraw/zinc/36/31/09/573363109.db2.gz XYHYMMDUCBEBDN-QWRGUYRKSA-N 1 3 198.354 2.282 10 0 AEAEHO CCC[C@H]([NH3+])CCN[C@H]1CCC1(C)C 308562077 573363113 /nfs/dbraw/zinc/36/31/13/573363113.db2.gz XYHYMMDUCBEBDN-QWRGUYRKSA-N 1 3 198.354 2.282 10 0 AEAEHO C[C@@H](CN)[C@@H](C)[NH+]1CCCCCCC1 86311386 573363211 /nfs/dbraw/zinc/36/32/11/573363211.db2.gz NMFSXWDEKUAXQQ-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H](CN)[C@H](C)[N@@H+]1C[C@H](C)CC[C@@H]1C 86312782 573363356 /nfs/dbraw/zinc/36/33/56/573363356.db2.gz XKLMYPMAHOMSLQ-RHYQMDGZSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@@H](CN)[C@H](C)[N@H+]1C[C@H](C)CC[C@@H]1C 86312782 573363362 /nfs/dbraw/zinc/36/33/62/573363362.db2.gz XKLMYPMAHOMSLQ-RHYQMDGZSA-N 1 3 198.354 2.090 10 0 AEAEHO CCN1CCC[C@@H]1C[C@@]1(C)CCC[NH2+]1 258312385 573363470 /nfs/dbraw/zinc/36/34/70/573363470.db2.gz VNDSCQZPBWFLQU-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H](CC1CC1)[NH2+]CCC(C)(C)N 308562126 573363511 /nfs/dbraw/zinc/36/35/11/573363511.db2.gz YCLNRWHOMISKOD-LLVKDONJSA-N 1 3 198.354 2.282 10 0 AEAEHO C[C@@H](CN)[C@H](C)[N@@H+]1CCC[C@@H](C)CC1 86312558 573363682 /nfs/dbraw/zinc/36/36/82/573363682.db2.gz QGHGSPHOJJYIFN-WOPDTQHZSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](CN)[C@H](C)[N@H+]1CCC[C@@H](C)CC1 86312558 573363685 /nfs/dbraw/zinc/36/36/85/573363685.db2.gz QGHGSPHOJJYIFN-WOPDTQHZSA-N 1 3 198.354 2.092 10 0 AEAEHO C/C=C\CC[N@@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 308377133 573380733 /nfs/dbraw/zinc/38/07/33/573380733.db2.gz BMOJBNXSULSWHC-YYEJGFRBSA-N 1 3 196.338 2.010 10 0 AEAEHO C/C=C\CC[N@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 308377133 573380738 /nfs/dbraw/zinc/38/07/38/573380738.db2.gz BMOJBNXSULSWHC-YYEJGFRBSA-N 1 3 196.338 2.010 10 0 AEAEHO CC[NH2+]C(C)(C)CNC[C@H](C)C1CC1 133154880 573380739 /nfs/dbraw/zinc/38/07/39/573380739.db2.gz PWHJMHSIQWRJOO-JTQLQIEISA-N 1 3 198.354 2.010 10 0 AEAEHO C/C=C\CCN1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 308377133 573380742 /nfs/dbraw/zinc/38/07/42/573380742.db2.gz BMOJBNXSULSWHC-YYEJGFRBSA-N 1 3 196.338 2.010 10 0 AEAEHO CCN(CC)[C@H](C)C[C@H]1CCCC[NH2+]1 126151478 573382555 /nfs/dbraw/zinc/38/25/55/573382555.db2.gz MHVLJLHXHYHARJ-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH+](CC)[C@H](C)C[C@H]1CCCCN1 126151478 573382561 /nfs/dbraw/zinc/38/25/61/573382561.db2.gz MHVLJLHXHYHARJ-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO C/C=C(/C)CNCC(C)(C)C[NH+](C)C 308567014 573381712 /nfs/dbraw/zinc/38/17/12/573381712.db2.gz BAGKAAGLJRGQGP-XFFZJAGNSA-N 1 3 198.354 2.130 10 0 AEAEHO CCC[C@H](N)CC[NH2+]C[C@H](C)C1CC1 133210283 573381739 /nfs/dbraw/zinc/38/17/39/573381739.db2.gz YUXDQYJVPIKHEX-JQWIXIFHSA-N 1 3 198.354 2.140 10 0 AEAEHO CC/C=C(\C)CN1CCC[C@@H](C[NH3+])C1 308377199 573382227 /nfs/dbraw/zinc/38/22/27/573382227.db2.gz UONQDLZUXLIKIH-JVOXIWMLSA-N 1 3 196.338 2.013 10 0 AEAEHO CCC[C@@H](N)CC[NH2+]C[C@@H](C)C1CC1 133210076 573382324 /nfs/dbraw/zinc/38/23/24/573382324.db2.gz YUXDQYJVPIKHEX-ZYHUDNBSSA-N 1 3 198.354 2.140 10 0 AEAEHO CCN[C@H](C)CC[NH2+]C[C@H](C)C1CC1 133202384 573383782 /nfs/dbraw/zinc/38/37/82/573383782.db2.gz RSQMTKOWOKEAIW-WDEREUQCSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)C[N@@H+]1CCCNCCC1(C)C 259438207 573397895 /nfs/dbraw/zinc/39/78/95/573397895.db2.gz OJRXADXHFXUXBJ-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)C[N@H+]1CCCNCCC1(C)C 259438207 573397899 /nfs/dbraw/zinc/39/78/99/573397899.db2.gz OJRXADXHFXUXBJ-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC1(CC)CN(C2CC2)CCC[NH2+]1 83091551 573397922 /nfs/dbraw/zinc/39/79/22/573397922.db2.gz VKYGFPMROWPUKJ-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC1(CC)C[N@@H+](C2CC2)CCCN1 83091551 573397928 /nfs/dbraw/zinc/39/79/28/573397928.db2.gz VKYGFPMROWPUKJ-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC1(CC)C[N@H+](C2CC2)CCCN1 83091551 573397932 /nfs/dbraw/zinc/39/79/32/573397932.db2.gz VKYGFPMROWPUKJ-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[N@H+](C[C@@H](C)CN)CC1(C)CCC1 308572351 573397472 /nfs/dbraw/zinc/39/74/72/573397472.db2.gz LANHAEYNFCAENW-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC[N@@H+](C[C@@H](C)CN)CC1(C)CCC1 308572351 573397477 /nfs/dbraw/zinc/39/74/77/573397477.db2.gz LANHAEYNFCAENW-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CCCC[N@H+](CC)[C@H]1CCN[C@H](C)C1 252950707 573409054 /nfs/dbraw/zinc/40/90/54/573409054.db2.gz OTCJMVCXBLVNDY-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@@H+](CC)[C@H]1CCN[C@H](C)C1 252950707 573409057 /nfs/dbraw/zinc/40/90/57/573409057.db2.gz OTCJMVCXBLVNDY-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)[C@H](C)[N@H+](C)[C@@H]1CCC[C@H](N)C1 86410341 573417695 /nfs/dbraw/zinc/41/76/95/573417695.db2.gz DXQLNABORMAZOK-SDDRHHMPSA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H](N)C1 86410341 573417699 /nfs/dbraw/zinc/41/76/99/573417699.db2.gz DXQLNABORMAZOK-SDDRHHMPSA-N 1 3 198.354 2.233 10 0 AEAEHO CC[C@@H](C)[N@H+](CC)CC[C@H](N)C1CC1 130018739 573422012 /nfs/dbraw/zinc/42/20/12/573422012.db2.gz ZIQMORQYAMRWQN-PWSUYJOCSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](C)[N@@H+](CC)CC[C@H](N)C1CC1 130018739 573422019 /nfs/dbraw/zinc/42/20/19/573422019.db2.gz ZIQMORQYAMRWQN-PWSUYJOCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[N@H+](CC(C)(C)C)[C@@H]1CCC[C@H](N)C1 86432595 573422103 /nfs/dbraw/zinc/42/21/03/573422103.db2.gz NEYJRQSPSQYBQT-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[N@@H+](CC(C)(C)C)[C@@H]1CCC[C@H](N)C1 86432595 573422106 /nfs/dbraw/zinc/42/21/06/573422106.db2.gz NEYJRQSPSQYBQT-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCC[N@H+](CC)CC[C@H](N)C1CC1 130006579 573421633 /nfs/dbraw/zinc/42/16/33/573421633.db2.gz YQNCZKQROBVRLO-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@@H+](CC)CC[C@H](N)C1CC1 130006579 573421640 /nfs/dbraw/zinc/42/16/40/573421640.db2.gz YQNCZKQROBVRLO-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCN(CC)CC[C@H]([NH3+])C1CC1 130006579 573421644 /nfs/dbraw/zinc/42/16/44/573421644.db2.gz YQNCZKQROBVRLO-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCCN(C)CC[C@H]([NH3+])C1CC1 130019195 573421732 /nfs/dbraw/zinc/42/17/32/573421732.db2.gz ZETHMICSFFIQHW-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](C)C[N@H+](C)CC[C@H](N)C1CC1 130019812 573421920 /nfs/dbraw/zinc/42/19/20/573421920.db2.gz CWOLDHBLUDXDSI-JQWIXIFHSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)C[N@@H+](C)CC[C@H](N)C1CC1 130019812 573421924 /nfs/dbraw/zinc/42/19/24/573421924.db2.gz CWOLDHBLUDXDSI-JQWIXIFHSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)CN(C)CC[C@H]([NH3+])C1CC1 130019812 573421929 /nfs/dbraw/zinc/42/19/29/573421929.db2.gz CWOLDHBLUDXDSI-JQWIXIFHSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[NH+](CCC)CC[C@H](N)C1CC1 130005271 573426716 /nfs/dbraw/zinc/42/67/16/573426716.db2.gz YFQFDAQPRPGZTF-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@@H+]1CCC[C@@H](CN)C1(C)C 259448796 573441711 /nfs/dbraw/zinc/44/17/11/573441711.db2.gz PBAOCMGKZJOCEF-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@H+]1CCC[C@@H](CN)C1(C)C 259448796 573441717 /nfs/dbraw/zinc/44/17/17/573441717.db2.gz PBAOCMGKZJOCEF-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC(C)(C)[N@@H+]1CC[C@H](CNC)C1 126260605 573445028 /nfs/dbraw/zinc/44/50/28/573445028.db2.gz XNRIAZOAHVBSGF-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC(C)(C)[N@H+]1CC[C@H](CNC)C1 126260605 573445033 /nfs/dbraw/zinc/44/50/33/573445033.db2.gz XNRIAZOAHVBSGF-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H]1C[C@@H]1NCCC[NH2+]C(C)C 233404870 573459936 /nfs/dbraw/zinc/45/99/36/573459936.db2.gz JZSCUPPBTPFUOF-RYUDHWBXSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCC[C@H](C)[NH2+]CC[C@@H](N)C1CC1 130085147 573461411 /nfs/dbraw/zinc/46/14/11/573461411.db2.gz PWELLFLATXNVRH-CMPLNLGQSA-N 1 3 198.354 2.282 10 0 AEAEHO CC1([NH2+]CC[C@@H](N)C2CC2)CCCC1 130116673 573472101 /nfs/dbraw/zinc/47/21/01/573472101.db2.gz OZUWMTMUBGRRDB-LLVKDONJSA-N 1 3 196.338 2.036 10 0 AEAEHO CC(C)C[N@@H+]1C[C@@H](CN)CCC1(C)C 259463159 573472179 /nfs/dbraw/zinc/47/21/79/573472179.db2.gz QEJRRFJLNYDQGP-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[N@H+]1C[C@@H](CN)CCC1(C)C 259463159 573472185 /nfs/dbraw/zinc/47/21/85/573472185.db2.gz QEJRRFJLNYDQGP-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO C[NH2+][C@@H](CC(C)C)C[C@@H]1CCCCN1 259466542 573481381 /nfs/dbraw/zinc/48/13/81/573481381.db2.gz PWWGKXLTUWXJIH-RYUDHWBXSA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@@H](CCCC[NH3+])Nc1ccncc1 308594975 573480894 /nfs/dbraw/zinc/48/08/94/573480894.db2.gz YAZJEXUKDZXEDE-JTQLQIEISA-N 1 3 193.294 2.011 10 0 AEAEHO CCC(CC)[N@@H+]1CCC[C@H]1C[C@@H](C)N 308596529 573481231 /nfs/dbraw/zinc/48/12/31/573481231.db2.gz SEJRUNRSVYFRFU-PWSUYJOCSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC(CC)[N@H+]1CCC[C@H]1C[C@@H](C)N 308596529 573481235 /nfs/dbraw/zinc/48/12/35/573481235.db2.gz SEJRUNRSVYFRFU-PWSUYJOCSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC(CC)[N@@H+]1CCC[C@H]1C[C@H](C)N 308596528 573481270 /nfs/dbraw/zinc/48/12/70/573481270.db2.gz SEJRUNRSVYFRFU-JQWIXIFHSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC(CC)[N@H+]1CCC[C@H]1C[C@H](C)N 308596528 573481272 /nfs/dbraw/zinc/48/12/72/573481272.db2.gz SEJRUNRSVYFRFU-JQWIXIFHSA-N 1 3 198.354 2.377 10 0 AEAEHO C[C@H](CCCC[NH3+])Nc1ccncc1 308594976 573481345 /nfs/dbraw/zinc/48/13/45/573481345.db2.gz YAZJEXUKDZXEDE-SNVBAGLBSA-N 1 3 193.294 2.011 10 0 AEAEHO CCCC[N@@H+]1C[C@H](CN)CCC1(C)C 259470479 573484285 /nfs/dbraw/zinc/48/42/85/573484285.db2.gz QSGLYUSLYODKGG-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@H+]1C[C@H](CN)CCC1(C)C 259470479 573484291 /nfs/dbraw/zinc/48/42/91/573484291.db2.gz QSGLYUSLYODKGG-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@]1(CCN2CCCC2)CCCC[NH2+]1 258044365 573495444 /nfs/dbraw/zinc/49/54/44/573495444.db2.gz QJTUEYXCWAPDTG-LBPRGKRZSA-N 1 3 196.338 2.005 10 0 AEAEHO C[C@]1(CCN2CCCC2)CCCC[NH2+]1 258044362 573495761 /nfs/dbraw/zinc/49/57/61/573495761.db2.gz QJTUEYXCWAPDTG-GFCCVEGCSA-N 1 3 196.338 2.005 10 0 AEAEHO C[C@H](N)CC[NH2+]CC(C)(C)C1CCC1 258694229 573496008 /nfs/dbraw/zinc/49/60/08/573496008.db2.gz GCUTURWIJSNTKH-JTQLQIEISA-N 1 3 198.354 2.140 10 0 AEAEHO CCC[C@@H]1CCC[C@](N)(C[NH3+])CC1 83437698 573503241 /nfs/dbraw/zinc/50/32/41/573503241.db2.gz OKCBUPQTOMRLIK-GHMZBOCLSA-N 1 3 184.327 2.023 10 0 AEAEHO Cc1ccc([C@H](N)C[C@H](C)[NH3+])c(C)c1 259110489 573503476 /nfs/dbraw/zinc/50/34/76/573503476.db2.gz BLRUXLYYMWZNIK-CMPLNLGQSA-N 1 3 192.306 2.041 10 0 AEAEHO Cc1ccc([C@H](N)C[C@@H](C)[NH3+])c(C)c1 259110492 573505336 /nfs/dbraw/zinc/50/53/36/573505336.db2.gz BLRUXLYYMWZNIK-ZYHUDNBSSA-N 1 3 192.306 2.041 10 0 AEAEHO CN[C@@H]1CCC[C@@H]([NH+]2CCCCC2)C1 86599033 573506655 /nfs/dbraw/zinc/50/66/55/573506655.db2.gz QLSZDNAISOBZOQ-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO C[NH2+][C@@H]1CCC[C@@H](N2CCCCC2)C1 86599033 573506659 /nfs/dbraw/zinc/50/66/59/573506659.db2.gz QLSZDNAISOBZOQ-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[C@@H]1CCC[C@@](N)(C[NH3+])CC1 83437700 573506824 /nfs/dbraw/zinc/50/68/24/573506824.db2.gz OKCBUPQTOMRLIK-MNOVXSKESA-N 1 3 184.327 2.023 10 0 AEAEHO CC[NH2+][C@@H]1CCC[C@@H](N2CCCC2)C1 86598846 573506982 /nfs/dbraw/zinc/50/69/82/573506982.db2.gz VGWFANNDQGSPQK-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CCN[C@@H]1CCC[C@@H]([NH+]2CCCC2)C1 86598846 573506985 /nfs/dbraw/zinc/50/69/85/573506985.db2.gz VGWFANNDQGSPQK-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[NH2+][C@@H]1CCC[C@H](N(C)CC)C1 86599131 573507978 /nfs/dbraw/zinc/50/79/78/573507978.db2.gz RIDCULNURNPUSM-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)(C[NH2+]CCCN)C1CCCC1 258711461 573507979 /nfs/dbraw/zinc/50/79/79/573507979.db2.gz HXSDIJCIIKOQJN-UHFFFAOYSA-N 1 3 198.354 2.141 10 0 AEAEHO CC[NH2+][C@@H]1CCC[C@H](N(CC)CC)C1 86598894 573508180 /nfs/dbraw/zinc/50/81/80/573508180.db2.gz RSIKJDZXJINDNM-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@@H]1CCC[C@H]([NH+](CC)CC)C1 86598894 573508186 /nfs/dbraw/zinc/50/81/86/573508186.db2.gz RSIKJDZXJINDNM-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@H]1CCC[C@@H]([NH+]2CCCCC2)C1 86599036 573508347 /nfs/dbraw/zinc/50/83/47/573508347.db2.gz QLSZDNAISOBZOQ-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO C[NH2+][C@H]1CCC[C@@H](N2CCCCC2)C1 86599036 573508351 /nfs/dbraw/zinc/50/83/51/573508351.db2.gz QLSZDNAISOBZOQ-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@H+](CC)[C@@H]1CCC[C@H](NC)C1 86599256 573508395 /nfs/dbraw/zinc/50/83/95/573508395.db2.gz SQCPPGGZUUOOKF-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+](CC)[C@@H]1CCC[C@H](NC)C1 86599256 573508401 /nfs/dbraw/zinc/50/84/01/573508401.db2.gz SQCPPGGZUUOOKF-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@H]1CC[C@@H]([N@H+](C)C2CCCC2)C1 86618724 573522060 /nfs/dbraw/zinc/52/20/60/573522060.db2.gz FRASXKLBFKNZSC-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@H]1CC[C@@H]([N@@H+](C)C2CCCC2)C1 86618724 573522063 /nfs/dbraw/zinc/52/20/63/573522063.db2.gz FRASXKLBFKNZSC-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC[N@H+](CCCN)CC1(C)CCC1 308606192 573521463 /nfs/dbraw/zinc/52/14/63/573521463.db2.gz HVXQDOFFNBTMHF-UHFFFAOYSA-N 1 3 198.354 2.237 10 0 AEAEHO CCC[N@@H+](CCCN)CC1(C)CCC1 308606192 573521472 /nfs/dbraw/zinc/52/14/72/573521472.db2.gz HVXQDOFFNBTMHF-UHFFFAOYSA-N 1 3 198.354 2.237 10 0 AEAEHO CC[NH2+][C@@H]1CC[C@H](N2CCCCC2)C1 86618456 573522301 /nfs/dbraw/zinc/52/23/01/573522301.db2.gz ZRSKQSICQWWSBT-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[NH2+][C@@H]1CC[C@@H](N2CCCCC2)C1 86618458 573522328 /nfs/dbraw/zinc/52/23/28/573522328.db2.gz ZRSKQSICQWWSBT-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO Cc1cccc([C@H](N)CC(C)(C)[NH3+])c1 259486955 573523928 /nfs/dbraw/zinc/52/39/28/573523928.db2.gz SQLMWDZVQMVCBQ-LLVKDONJSA-N 1 3 192.306 2.122 10 0 AEAEHO Cc1cccc([C@@H](N)CC(C)(C)[NH3+])c1 259486958 573526580 /nfs/dbraw/zinc/52/65/80/573526580.db2.gz SQLMWDZVQMVCBQ-NSHDSACASA-N 1 3 192.306 2.122 10 0 AEAEHO CC1(C)C[C@@H](N)CC[N@@H+]1C1CCCC1 259501528 573544866 /nfs/dbraw/zinc/54/48/66/573544866.db2.gz SYWQTHPGBZZJIB-JTQLQIEISA-N 1 3 196.338 2.131 10 0 AEAEHO CC1(C)C[C@@H](N)CC[N@H+]1C1CCCC1 259501528 573544868 /nfs/dbraw/zinc/54/48/68/573544868.db2.gz SYWQTHPGBZZJIB-JTQLQIEISA-N 1 3 196.338 2.131 10 0 AEAEHO CC(C)(C)[N@@H+]1CCCNCCC1(C)C 259506923 573556063 /nfs/dbraw/zinc/55/60/63/573556063.db2.gz UERDNYBFWZWJMS-UHFFFAOYSA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)(C)[N@H+]1CCCNCCC1(C)C 259506923 573556064 /nfs/dbraw/zinc/55/60/64/573556064.db2.gz UERDNYBFWZWJMS-UHFFFAOYSA-N 1 3 198.354 2.249 10 0 AEAEHO C[C@@H](CN)C[NH2+]CCC1(C)CCCC1 308624445 573567416 /nfs/dbraw/zinc/56/74/16/573567416.db2.gz ZPHIPWAGLDSWMI-NSHDSACASA-N 1 3 198.354 2.141 10 0 AEAEHO CC[C@@H](C)[N@@H+]1CCCNCCC1(C)C 259513626 573574969 /nfs/dbraw/zinc/57/49/69/573574969.db2.gz URGMGUBRABSVGT-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)[N@H+]1CCCNCCC1(C)C 259513626 573574975 /nfs/dbraw/zinc/57/49/75/573574975.db2.gz URGMGUBRABSVGT-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](C)[N@@H+]1CCCNCCC1(C)C 259513629 573575188 /nfs/dbraw/zinc/57/51/88/573575188.db2.gz URGMGUBRABSVGT-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](C)[N@H+]1CCCNCCC1(C)C 259513629 573575194 /nfs/dbraw/zinc/57/51/94/573575194.db2.gz URGMGUBRABSVGT-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO C[NH2+]CCCN(C)CC1(C)CCCC1 308636906 573575416 /nfs/dbraw/zinc/57/54/16/573575416.db2.gz BIMLQERCTTXURS-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CNCCC[N@H+](C)CC1(C)CCCC1 308636906 573575421 /nfs/dbraw/zinc/57/54/21/573575421.db2.gz BIMLQERCTTXURS-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CNCCC[N@@H+](C)CC1(C)CCCC1 308636906 573575425 /nfs/dbraw/zinc/57/54/25/573575425.db2.gz BIMLQERCTTXURS-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CCCC[N@@H+]1C[C@H](CNC)CC1(C)C 259521059 573589266 /nfs/dbraw/zinc/58/92/66/573589266.db2.gz VIGWMZGNGFZTNQ-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@H+]1C[C@H](CNC)CC1(C)C 259521059 573589270 /nfs/dbraw/zinc/58/92/70/573589270.db2.gz VIGWMZGNGFZTNQ-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@@H+]1CC[C@H](CNC)[C@@H]1C 259136818 573593511 /nfs/dbraw/zinc/59/35/11/573593511.db2.gz DLLYUDBSKDSCMH-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@H+]1CC[C@H](CNC)[C@@H]1C 259136818 573593516 /nfs/dbraw/zinc/59/35/16/573593516.db2.gz DLLYUDBSKDSCMH-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@H]1CC[N@H+](CC(C)C)C(C)(C)C1 259521001 573593542 /nfs/dbraw/zinc/59/35/42/573593542.db2.gz VHHXDSQHNHMWLQ-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CC[N@@H+](CC(C)C)C(C)(C)C1 259521001 573593548 /nfs/dbraw/zinc/59/35/48/573593548.db2.gz VHHXDSQHNHMWLQ-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@@H](N)CC[N@@H+]1CCCC(C)(C)CC1 83680328 573592899 /nfs/dbraw/zinc/59/28/99/573592899.db2.gz IUIQCNAKCGQIDF-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H](N)CC[N@H+]1CCCC(C)(C)CC1 83680328 573592904 /nfs/dbraw/zinc/59/29/04/573592904.db2.gz IUIQCNAKCGQIDF-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@@H+]1C[C@@H](CNC)CC1(C)C 259521056 573593034 /nfs/dbraw/zinc/59/30/34/573593034.db2.gz VIGWMZGNGFZTNQ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@H+]1C[C@@H](CNC)CC1(C)C 259521056 573593039 /nfs/dbraw/zinc/59/30/39/573593039.db2.gz VIGWMZGNGFZTNQ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(CC)C[NH2+]CC[C@@H](N)CC 130468243 573593089 /nfs/dbraw/zinc/59/30/89/573593089.db2.gz LQSNEOKAGYYOMU-NSHDSACASA-N 1 3 186.343 2.140 10 0 AEAEHO CC(C)C[N@@H+]1CCC[C@H](CN)C1(C)C 259520964 573593268 /nfs/dbraw/zinc/59/32/68/573593268.db2.gz VGXUYAFQCAGQHR-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[N@H+]1CCC[C@H](CN)C1(C)C 259520964 573593273 /nfs/dbraw/zinc/59/32/73/573593273.db2.gz VGXUYAFQCAGQHR-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](C)CNC[C@]1(CC)CCC[NH2+]1 215371261 573597251 /nfs/dbraw/zinc/59/72/51/573597251.db2.gz YJRHYEVVEZEEPM-NEPJUHHUSA-N 1 3 198.354 2.154 10 0 AEAEHO CC[C@H](C)CNC[C@@]1(CC)CCC[NH2+]1 215371386 573599634 /nfs/dbraw/zinc/59/96/34/573599634.db2.gz YJRHYEVVEZEEPM-NWDGAFQWSA-N 1 3 198.354 2.154 10 0 AEAEHO C[C@@H]1[C@@H]([NH2+]CCC(C)(C)N)CC[C@H]1C 393667490 573613575 /nfs/dbraw/zinc/61/35/75/573613575.db2.gz DIXCGKLEFPLWSL-VWYCJHECSA-N 1 3 198.354 2.138 10 0 AEAEHO C/C=C\C[N@@H+]1CCCN[C@@](C)(CC)C1 308407311 573613196 /nfs/dbraw/zinc/61/31/96/573613196.db2.gz ULOYCWWADTYYCL-RNZFLTOJSA-N 1 3 196.338 2.027 10 0 AEAEHO C/C=C\C[N@H+]1CCCN[C@@](C)(CC)C1 308407311 573613199 /nfs/dbraw/zinc/61/31/99/573613199.db2.gz ULOYCWWADTYYCL-RNZFLTOJSA-N 1 3 196.338 2.027 10 0 AEAEHO CCC(C)(C)[C@@H]([NH3+])CN(C)CC1CC1 308643273 573617263 /nfs/dbraw/zinc/61/72/63/573617263.db2.gz FFCQEJJQGIAWNN-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 142878088 573621859 /nfs/dbraw/zinc/62/18/59/573621859.db2.gz YJZZWAUWRSCRKL-UHFFFAOYSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H](C)C[N@@H+]1CCCC[C@@H](CN)C1 308659951 573628680 /nfs/dbraw/zinc/62/86/80/573628680.db2.gz PEPQUDQRYQOXIS-RYUDHWBXSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](C)C[N@H+]1CCCC[C@@H](CN)C1 308659951 573628685 /nfs/dbraw/zinc/62/86/85/573628685.db2.gz PEPQUDQRYQOXIS-RYUDHWBXSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](C)C[N@@H+]1CCC[C@@H]1C[C@H](C)N 393667680 573635035 /nfs/dbraw/zinc/63/50/35/573635035.db2.gz NXXVLKWJIGQLAJ-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)C[N@H+]1CCC[C@@H]1C[C@H](C)N 393667680 573635039 /nfs/dbraw/zinc/63/50/39/573635039.db2.gz NXXVLKWJIGQLAJ-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCC[C@@H](C)N(C)C[C@@H]1CC[NH2+]C1 308653443 573643107 /nfs/dbraw/zinc/64/31/07/573643107.db2.gz LXDNOXSKNMRJRN-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)C[C@H](C)[N@@H+]1C[C@H](CN)C[C@@H]1C 126715000 573643310 /nfs/dbraw/zinc/64/33/10/573643310.db2.gz GQENWUUDWFSBLK-SRVKXCTJSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@H](C)[N@H+]1C[C@H](CN)C[C@@H]1C 126715000 573643316 /nfs/dbraw/zinc/64/33/16/573643316.db2.gz GQENWUUDWFSBLK-SRVKXCTJSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H]([NH3+])CCN(C)CCC1CCCC1 258829254 573647503 /nfs/dbraw/zinc/64/75/03/573647503.db2.gz VCQNOBLCONNYOS-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[C@H](C)N(C)C[C@H]1CC[NH2+]C1 308653442 573647539 /nfs/dbraw/zinc/64/75/39/573647539.db2.gz LXDNOXSKNMRJRN-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[C@@H](C)N(C)C[C@H]1CC[NH2+]C1 308653440 573647892 /nfs/dbraw/zinc/64/78/92/573647892.db2.gz LXDNOXSKNMRJRN-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@@H+]1CC[C@@H](CNC)C1(C)C 259543713 573651445 /nfs/dbraw/zinc/65/14/45/573651445.db2.gz WUSTVHLWBXVPHJ-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@H+]1CC[C@@H](CNC)C1(C)C 259543713 573651452 /nfs/dbraw/zinc/65/14/52/573651452.db2.gz WUSTVHLWBXVPHJ-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCN(C)C[C@H]1CCCC(C)(C)[C@@H]1[NH3+] 86850906 573651770 /nfs/dbraw/zinc/65/17/70/573651770.db2.gz QAJCDHBWICCLMB-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@H+](C)C[C@H]1CCCC(C)(C)[C@@H]1N 86850906 573651780 /nfs/dbraw/zinc/65/17/80/573651780.db2.gz QAJCDHBWICCLMB-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](C)C[C@H]1CCCC(C)(C)[C@@H]1N 86850906 573651788 /nfs/dbraw/zinc/65/17/88/573651788.db2.gz QAJCDHBWICCLMB-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO NC1(CC[NH+]2CCCCCC2)CCC1 86853803 573653324 /nfs/dbraw/zinc/65/33/24/573653324.db2.gz KFVPEKNHTTYLRN-UHFFFAOYSA-N 1 3 196.338 2.134 10 0 AEAEHO CCCCC[N@H+](C)C(C)(C)CCN 258837705 573655227 /nfs/dbraw/zinc/65/52/27/573655227.db2.gz MQNZKNYGVJLNGT-UHFFFAOYSA-N 1 3 186.343 2.236 10 0 AEAEHO CCCCC[N@@H+](C)C(C)(C)CCN 258837705 573655234 /nfs/dbraw/zinc/65/52/34/573655234.db2.gz MQNZKNYGVJLNGT-UHFFFAOYSA-N 1 3 186.343 2.236 10 0 AEAEHO CC[C@H](C)C[N@@H+]1CCC[C@@H]1C[C@@H](C)N 393667677 573655496 /nfs/dbraw/zinc/65/54/96/573655496.db2.gz NXXVLKWJIGQLAJ-QJPTWQEYSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)C[N@H+]1CCC[C@@H]1C[C@@H](C)N 393667677 573655503 /nfs/dbraw/zinc/65/55/03/573655503.db2.gz NXXVLKWJIGQLAJ-QJPTWQEYSA-N 1 3 198.354 2.234 10 0 AEAEHO CN[C@H]1CC[N@H+](CCC(C)C)C1(C)C 259159623 573687809 /nfs/dbraw/zinc/68/78/09/573687809.db2.gz ACKOGQAYRZPVFN-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CC[N@@H+](CCC(C)C)C1(C)C 259159623 573687811 /nfs/dbraw/zinc/68/78/11/573687811.db2.gz ACKOGQAYRZPVFN-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[C@@H]([NH3+])CCN(C)[C@@H](C)C1CC1 126796638 573693626 /nfs/dbraw/zinc/69/36/26/573693626.db2.gz CNNXJKHJGPANAH-JQWIXIFHSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@@H](C)[N@@H+]1CCCNCC(C)(C)C1 259556859 573693094 /nfs/dbraw/zinc/69/30/94/573693094.db2.gz XPNOAVPBJDYBGZ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](C)[N@H+]1CCCNCC(C)(C)C1 259556859 573693099 /nfs/dbraw/zinc/69/30/99/573693099.db2.gz XPNOAVPBJDYBGZ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)[C@@H](N)CC[N@H+](C)[C@@H](C)C1CC1 126796638 573693616 /nfs/dbraw/zinc/69/36/16/573693616.db2.gz CNNXJKHJGPANAH-JQWIXIFHSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@@H](N)CC[N@@H+](C)[C@@H](C)C1CC1 126796638 573693619 /nfs/dbraw/zinc/69/36/19/573693619.db2.gz CNNXJKHJGPANAH-JQWIXIFHSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](N)CC[N@H+](C)[C@@H](C)C1CC1 126796458 573694606 /nfs/dbraw/zinc/69/46/06/573694606.db2.gz CNNXJKHJGPANAH-CMPLNLGQSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](N)CC[N@@H+](C)[C@@H](C)C1CC1 126796458 573694610 /nfs/dbraw/zinc/69/46/10/573694610.db2.gz CNNXJKHJGPANAH-CMPLNLGQSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H]([NH3+])CCN(C)[C@@H](C)C1CC1 126796458 573694616 /nfs/dbraw/zinc/69/46/16/573694616.db2.gz CNNXJKHJGPANAH-CMPLNLGQSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@@]1(C[C@@H]2CCCCN2)CCC[NH2+]1 258104828 573721067 /nfs/dbraw/zinc/72/10/67/573721067.db2.gz HJDYXGZATUAIAD-RYUDHWBXSA-N 1 3 196.338 2.051 10 0 AEAEHO CNCCC[NH2+][C@@]1(C)CCCC[C@@H]1C 308699548 573747217 /nfs/dbraw/zinc/74/72/17/573747217.db2.gz QMCBQTYRRMDGNQ-RYUDHWBXSA-N 1 3 198.354 2.154 10 0 AEAEHO C[NH2+]C(C)(C)CNC[C@@H]1CC[C@@H](C)C1 308701405 573747423 /nfs/dbraw/zinc/74/74/23/573747423.db2.gz VCNVZGFBGKWMNC-GHMZBOCLSA-N 1 3 198.354 2.010 10 0 AEAEHO CNCCC[NH2+][C@]1(C)CCCC[C@H]1C 308699551 573747547 /nfs/dbraw/zinc/74/75/47/573747547.db2.gz QMCBQTYRRMDGNQ-VXGBXAGGSA-N 1 3 198.354 2.154 10 0 AEAEHO CNCC1(C[N@H+](C)C(C)(C)C)CCC1 258919957 573750137 /nfs/dbraw/zinc/75/01/37/573750137.db2.gz GSFQIQQZGSHWMS-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CNCC1(C[N@@H+](C)C(C)(C)C)CCC1 258919957 573750147 /nfs/dbraw/zinc/75/01/47/573750147.db2.gz GSFQIQQZGSHWMS-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO C[NH2+]CC1(CN(C)C(C)(C)C)CCC1 258919957 573750152 /nfs/dbraw/zinc/75/01/52/573750152.db2.gz GSFQIQQZGSHWMS-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](CN)C[N@H+](C)CCC1CCC1 258915459 573760254 /nfs/dbraw/zinc/76/02/54/573760254.db2.gz GJCHCWIWPWCQGF-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](CN)C[N@@H+](C)CCC1CCC1 258915459 573760257 /nfs/dbraw/zinc/76/02/57/573760257.db2.gz GJCHCWIWPWCQGF-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](C[NH3+])CN(C)CCC1CCC1 258915459 573760260 /nfs/dbraw/zinc/76/02/60/573760260.db2.gz GJCHCWIWPWCQGF-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](CN)C[N@H+](C)CCC1CCC1 258915457 573760356 /nfs/dbraw/zinc/76/03/56/573760356.db2.gz GJCHCWIWPWCQGF-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](CN)C[N@@H+](C)CCC1CCC1 258915457 573760358 /nfs/dbraw/zinc/76/03/58/573760358.db2.gz GJCHCWIWPWCQGF-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](C[NH3+])CN(C)CCC1CCC1 258915457 573760361 /nfs/dbraw/zinc/76/03/61/573760361.db2.gz GJCHCWIWPWCQGF-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)(C)CCNCC[C@H]1CCC[NH2+]1 259178340 573767224 /nfs/dbraw/zinc/76/72/24/573767224.db2.gz ZAADWHNZVPFACT-LLVKDONJSA-N 1 3 198.354 2.154 10 0 AEAEHO Cc1ccc(C)c([C@H](N)C[C@@H](C)[NH3+])c1 259179984 573772439 /nfs/dbraw/zinc/77/24/39/573772439.db2.gz FFKIZNLYRMXINE-ZYHUDNBSSA-N 1 3 192.306 2.041 10 0 AEAEHO CNCC[C@H](C)[N@@H+]1CCC[C@H]1C(C)C 84127822 573773223 /nfs/dbraw/zinc/77/32/23/573773223.db2.gz KBAKXXGJCQIJRL-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CNCC[C@H](C)[N@H+]1CCC[C@H]1C(C)C 84127822 573773227 /nfs/dbraw/zinc/77/32/27/573773227.db2.gz KBAKXXGJCQIJRL-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCN(C)CC[C@H]1[NH2+]CCC[C@H]1C 404898747 573774437 /nfs/dbraw/zinc/77/44/37/573774437.db2.gz BUAFLPJHYIDHPX-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO Cc1ccc(C)c([C@H](N)C[C@H](C)[NH3+])c1 259179976 573774622 /nfs/dbraw/zinc/77/46/22/573774622.db2.gz FFKIZNLYRMXINE-CMPLNLGQSA-N 1 3 192.306 2.041 10 0 AEAEHO C[NH2+]C(C)(C)CNCCC(C)(C)C 258947221 573783499 /nfs/dbraw/zinc/78/34/99/573783499.db2.gz UJVVMXAIAMNMDG-UHFFFAOYSA-N 1 3 186.343 2.010 10 0 AEAEHO CCC[NH2+][C@@H](C)CCN(C)C1CCC1 127301243 573792484 /nfs/dbraw/zinc/79/24/84/573792484.db2.gz PLJOGFLCNQNNTA-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO C[C@@H]([NH3+])C[C@@H](N)c1ccc(Cl)cc1 259187894 573792692 /nfs/dbraw/zinc/79/26/92/573792692.db2.gz FMLJVRXBEHTPLN-GMSGAONNSA-N 1 3 198.697 2.077 10 0 AEAEHO C[C@H]([NH3+])C[C@@H](N)c1ccc(Cl)cc1 259187898 573793420 /nfs/dbraw/zinc/79/34/20/573793420.db2.gz FMLJVRXBEHTPLN-OIBJUYFYSA-N 1 3 198.697 2.077 10 0 AEAEHO CC[NH2+][C@@H]1CC[C@H](N(C)C2CCC2)C1 127308806 573798978 /nfs/dbraw/zinc/79/89/78/573798978.db2.gz SMYRIVFAHSZHRU-PWSUYJOCSA-N 1 3 196.338 2.001 10 0 AEAEHO CCN[C@@H]1CC[C@H]([N@H+](C)C2CCC2)C1 127308806 573798981 /nfs/dbraw/zinc/79/89/81/573798981.db2.gz SMYRIVFAHSZHRU-PWSUYJOCSA-N 1 3 196.338 2.001 10 0 AEAEHO CCN[C@@H]1CC[C@H]([N@@H+](C)C2CCC2)C1 127308806 573798989 /nfs/dbraw/zinc/79/89/89/573798989.db2.gz SMYRIVFAHSZHRU-PWSUYJOCSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[C@@H](C)[N@@H+]1CC[C@@H](CNC)C1(C)C 259571182 573802691 /nfs/dbraw/zinc/80/26/91/573802691.db2.gz YPGMTLDFDMOEGY-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[N@H+]1CC[C@@H](CNC)C1(C)C 259571182 573802698 /nfs/dbraw/zinc/80/26/98/573802698.db2.gz YPGMTLDFDMOEGY-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@@H+]1CC[C@@H](CNC)C1(C)C 259571184 573803654 /nfs/dbraw/zinc/80/36/54/573803654.db2.gz YPGMTLDFDMOEGY-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@H+]1CC[C@@H](CNC)C1(C)C 259571184 573803661 /nfs/dbraw/zinc/80/36/61/573803661.db2.gz YPGMTLDFDMOEGY-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)(C)C[C@H](N)C[NH+]1CCCCC1 258148835 573827683 /nfs/dbraw/zinc/82/76/83/573827683.db2.gz MWDIHVQLSPQOAY-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)[N@@H+](CCCN)C1CCC1 233275597 573826960 /nfs/dbraw/zinc/82/69/60/573826960.db2.gz JWISGAYUJAXSHD-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC(C)CCCC[NH2+]CC[C@@H](C)N 147594084 573827260 /nfs/dbraw/zinc/82/72/60/573827260.db2.gz AHKWRADJDOMYOJ-LLVKDONJSA-N 1 3 186.343 2.140 10 0 AEAEHO CC[C@H](C)[NH2+][C@@H](C)CCN1CCCC1 308761549 573839208 /nfs/dbraw/zinc/83/92/08/573839208.db2.gz YCKKBWNMKNNKBA-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO C[C@H](CN)C[NH2+][C@@]1(C)CCCC[C@H]1C 308760396 573840092 /nfs/dbraw/zinc/84/00/92/573840092.db2.gz WXIUPXKTTBTMGH-UTUOFQBUSA-N 1 3 198.354 2.140 10 0 AEAEHO Cc1ccc([C@@H](N)CCC(C)(C)[NH3+])o1 259210108 573844209 /nfs/dbraw/zinc/84/42/09/573844209.db2.gz GJNQDGNYLVYIPX-VIFPVBQESA-N 1 3 196.294 2.105 10 0 AEAEHO C[C@@H](N)C(C)(C)C[N@@H+]1CCC(C)(C)C1 87258622 573851252 /nfs/dbraw/zinc/85/12/52/573851252.db2.gz MNUBDJQFXCDBAK-SNVBAGLBSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](N)C(C)(C)C[N@H+]1CCC(C)(C)C1 87258622 573851257 /nfs/dbraw/zinc/85/12/57/573851257.db2.gz MNUBDJQFXCDBAK-SNVBAGLBSA-N 1 3 198.354 2.092 10 0 AEAEHO CN(C)[C@@H](C[C@@H]1CCC[NH2+]1)C(C)(C)C 259213054 573852916 /nfs/dbraw/zinc/85/29/16/573852916.db2.gz AGSQAJKHYVFKNX-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@@H+]1C[C@H](CNC)CCC1(C)C 259212602 573852954 /nfs/dbraw/zinc/85/29/54/573852954.db2.gz COZKSROBDBILEB-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@H+]1C[C@H](CNC)CCC1(C)C 259212602 573852961 /nfs/dbraw/zinc/85/29/61/573852961.db2.gz COZKSROBDBILEB-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CN(C)[C@@H](C[C@H]1CCC[NH2+]1)C(C)(C)C 259213049 573853006 /nfs/dbraw/zinc/85/30/06/573853006.db2.gz AGSQAJKHYVFKNX-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@@H+]1C[C@@H](CNC)CCC1(C)C 259212597 573854996 /nfs/dbraw/zinc/85/49/96/573854996.db2.gz COZKSROBDBILEB-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@H+]1C[C@@H](CNC)CCC1(C)C 259212597 573855001 /nfs/dbraw/zinc/85/50/01/573855001.db2.gz COZKSROBDBILEB-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(CC)[N@@H+]1CCC[C@H](CNC)C1 40592719 573856502 /nfs/dbraw/zinc/85/65/02/573856502.db2.gz OFCTVRIZUNCGGE-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(CC)[N@H+]1CCC[C@H](CNC)C1 40592719 573856507 /nfs/dbraw/zinc/85/65/07/573856507.db2.gz OFCTVRIZUNCGGE-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@H](N)C(C)(C)C[N@@H+]1CCC(C)(C)C1 87258621 573856511 /nfs/dbraw/zinc/85/65/11/573856511.db2.gz MNUBDJQFXCDBAK-JTQLQIEISA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H](N)C(C)(C)C[N@H+]1CCC(C)(C)C1 87258621 573856515 /nfs/dbraw/zinc/85/65/15/573856515.db2.gz MNUBDJQFXCDBAK-JTQLQIEISA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(CC)[N@@H+]1CCC[C@@H](CNC)C1 40592723 573857475 /nfs/dbraw/zinc/85/74/75/573857475.db2.gz OFCTVRIZUNCGGE-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(CC)[N@H+]1CCC[C@@H](CNC)C1 40592723 573857481 /nfs/dbraw/zinc/85/74/81/573857481.db2.gz OFCTVRIZUNCGGE-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH2+][C@H](C)CCN(CC)CC 43809716 573864364 /nfs/dbraw/zinc/86/43/64/573864364.db2.gz IGRDTYFQUWPXET-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[N@H+](CC[C@H](C)NC)C(C)C 43885054 573871553 /nfs/dbraw/zinc/87/15/53/573871553.db2.gz IVFRILKPTBIBLL-NSHDSACASA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[N@@H+](CC[C@H](C)NC)C(C)C 43885054 573871561 /nfs/dbraw/zinc/87/15/61/573871561.db2.gz IVFRILKPTBIBLL-NSHDSACASA-N 1 3 186.343 2.105 10 0 AEAEHO CC[C@H]1CCCC[N@@H+]1CC[C@@H](C)NC 43883363 573871619 /nfs/dbraw/zinc/87/16/19/573871619.db2.gz CPRMXQYVYOQXNY-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H]1CCCC[N@H+]1CC[C@@H](C)NC 43883363 573871623 /nfs/dbraw/zinc/87/16/23/573871623.db2.gz CPRMXQYVYOQXNY-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H]1CCC[N@H+](CC[C@@H](C)NC)C1 43896719 573871771 /nfs/dbraw/zinc/87/17/71/573871771.db2.gz RKUOZRNEVLJGON-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H]1CCC[N@@H+](CC[C@@H](C)NC)C1 43896719 573871775 /nfs/dbraw/zinc/87/17/75/573871775.db2.gz RKUOZRNEVLJGON-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H]1CCCN(CC[C@@H](C)[NH2+]C)C1 43896719 573871783 /nfs/dbraw/zinc/87/17/83/573871783.db2.gz RKUOZRNEVLJGON-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@@H](C)CC[NH+]1CCCCCCC1 43819149 573872576 /nfs/dbraw/zinc/87/25/76/573872576.db2.gz KIRAMARNZVVDQT-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC1CCN(CC[C@@H](C)[NH2+]C)CC1 43913311 573872859 /nfs/dbraw/zinc/87/28/59/573872859.db2.gz GZYNBVKNZGFAKG-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@H](C)CC[NH+]1CCCCCCC1 43819151 573873056 /nfs/dbraw/zinc/87/30/56/573873056.db2.gz KIRAMARNZVVDQT-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCN[C@@H](C)CC[NH2+][C@@H](C)C(C)C 716314066 573874255 /nfs/dbraw/zinc/87/42/55/573874255.db2.gz PTCONKXMJWUMEX-QWRGUYRKSA-N 1 3 186.343 2.009 10 0 AEAEHO CCCCCN(C)CC[C@@H](C)[NH2+]C 43889243 573874463 /nfs/dbraw/zinc/87/44/63/573874463.db2.gz UYLULPOWEQQHIF-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCCN(CC[C@H](C)[NH2+]CC)C1CC1 43885653 573874611 /nfs/dbraw/zinc/87/46/11/573874611.db2.gz IJPKPLGKQWVKGC-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)[N@H+](CC)CC[C@@H](C)NC 43888675 573875146 /nfs/dbraw/zinc/87/51/46/573875146.db2.gz KTZJRCHYENHUGC-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CC[C@@H](C)[N@@H+](CC)CC[C@@H](C)NC 43888675 573875151 /nfs/dbraw/zinc/87/51/51/573875151.db2.gz KTZJRCHYENHUGC-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CC[C@@H]1CCCC[N@@H+]1CC[C@@H](C)NC 43883361 573875268 /nfs/dbraw/zinc/87/52/68/573875268.db2.gz CPRMXQYVYOQXNY-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H]1CCCC[N@H+]1CC[C@@H](C)NC 43883361 573875272 /nfs/dbraw/zinc/87/52/72/573875272.db2.gz CPRMXQYVYOQXNY-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@H](C)CC[NH2+][C@@H](C)C(C)C 716314059 573875341 /nfs/dbraw/zinc/87/53/41/573875341.db2.gz PTCONKXMJWUMEX-MNOVXSKESA-N 1 3 186.343 2.009 10 0 AEAEHO CCN[C@H](C)CC[N@@H+]1CCC[C@@H]1CC 43904706 573875370 /nfs/dbraw/zinc/87/53/70/573875370.db2.gz TXIKZMVFNODJNV-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@H](C)CC[N@H+]1CCC[C@@H]1CC 43904706 573875379 /nfs/dbraw/zinc/87/53/79/573875379.db2.gz TXIKZMVFNODJNV-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+][C@H](C)CCN1CCC[C@@H]1CC 43904706 573875384 /nfs/dbraw/zinc/87/53/84/573875384.db2.gz TXIKZMVFNODJNV-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC(CC)[N@H+](C)CC[C@H](C)NC 43895953 573875615 /nfs/dbraw/zinc/87/56/15/573875615.db2.gz DUYZXBBWBDOBOH-JTQLQIEISA-N 1 3 186.343 2.105 10 0 AEAEHO CCC(CC)[N@@H+](C)CC[C@H](C)NC 43895953 573875619 /nfs/dbraw/zinc/87/56/19/573875619.db2.gz DUYZXBBWBDOBOH-JTQLQIEISA-N 1 3 186.343 2.105 10 0 AEAEHO C[NH2+]CC(C)(C)NC1CCCCCC1 258981002 573880523 /nfs/dbraw/zinc/88/05/23/573880523.db2.gz ONAHQJKVLDEYQA-UHFFFAOYSA-N 1 3 198.354 2.297 10 0 AEAEHO CCC[N@H+](CC[C@H](C)NC)CC1CC1 43967408 573880831 /nfs/dbraw/zinc/88/08/31/573880831.db2.gz FCBXQERFDRDTFQ-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@@H+](CC[C@H](C)NC)CC1CC1 43967408 573880837 /nfs/dbraw/zinc/88/08/37/573880837.db2.gz FCBXQERFDRDTFQ-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CN(CC[C@@H]([NH3+])C(C)(C)C)C1CCC1 127510793 573890088 /nfs/dbraw/zinc/89/00/88/573890088.db2.gz PBAWJMIWFORFJE-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO C[N@H+](CC[C@@H](N)C(C)(C)C)C1CCC1 127510793 573890094 /nfs/dbraw/zinc/89/00/94/573890094.db2.gz PBAWJMIWFORFJE-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO C[N@@H+](CC[C@@H](N)C(C)(C)C)C1CCC1 127510793 573890101 /nfs/dbraw/zinc/89/01/01/573890101.db2.gz PBAWJMIWFORFJE-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)CC[N@@H+]1C[C@@H](CN)CC1(C)C 259222465 573893286 /nfs/dbraw/zinc/89/32/86/573893286.db2.gz CZUCETSYIDSHPZ-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[N@H+]1C[C@@H](CN)CC1(C)C 259222465 573893291 /nfs/dbraw/zinc/89/32/91/573893291.db2.gz CZUCETSYIDSHPZ-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[NH2+][C@@H](C)CN[C@H](C)CC(C)C 716347530 573896121 /nfs/dbraw/zinc/89/61/21/573896121.db2.gz ACDUMMNRHJLFPT-MNOVXSKESA-N 1 3 186.343 2.009 10 0 AEAEHO CC[NH2+][C@@H](C)CN[C@@H](C)CC(C)C 716347551 573898053 /nfs/dbraw/zinc/89/80/53/573898053.db2.gz ACDUMMNRHJLFPT-QWRGUYRKSA-N 1 3 186.343 2.009 10 0 AEAEHO CN(CC[C@@H]1CCCC[NH2+]1)C1CCC1 127456395 573901997 /nfs/dbraw/zinc/90/19/97/573901997.db2.gz KHFCUOVOIKMFRI-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[NH2+][C@H](C)CN[C@@H](C)C(C)C 716360179 573902012 /nfs/dbraw/zinc/90/20/12/573902012.db2.gz QOWVBSSKXAWHSC-MNOVXSKESA-N 1 3 186.343 2.009 10 0 AEAEHO CC(C)(C)[N@@H+]1CCC[C@@H](CN)C1(C)C 259231187 573904379 /nfs/dbraw/zinc/90/43/79/573904379.db2.gz DINRTAYEXAQTIT-JTQLQIEISA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)(C)[N@H+]1CCC[C@@H](CN)C1(C)C 259231187 573904385 /nfs/dbraw/zinc/90/43/85/573904385.db2.gz DINRTAYEXAQTIT-JTQLQIEISA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[NH2+][C@@H](C)CN[C@H](C)C(C)C 716360181 573904717 /nfs/dbraw/zinc/90/47/17/573904717.db2.gz QOWVBSSKXAWHSC-WDEREUQCSA-N 1 3 186.343 2.009 10 0 AEAEHO CCC[NH2+][C@@H](C)CN[C@@H](C)C(C)C 716360180 573904873 /nfs/dbraw/zinc/90/48/73/573904873.db2.gz QOWVBSSKXAWHSC-QWRGUYRKSA-N 1 3 186.343 2.009 10 0 AEAEHO CCCCCC[N@H+](C)C[C@H](C)CN 44413467 573906088 /nfs/dbraw/zinc/90/60/88/573906088.db2.gz HMHXITNIJVIKON-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CCCCCC[N@@H+](C)C[C@H](C)CN 44413467 573906096 /nfs/dbraw/zinc/90/60/96/573906096.db2.gz HMHXITNIJVIKON-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CCCCCCN(C)C[C@H](C)C[NH3+] 44413467 573906104 /nfs/dbraw/zinc/90/61/04/573906104.db2.gz HMHXITNIJVIKON-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CCCCCC[N@H+](C)C[C@@H](C)CN 44413465 573906134 /nfs/dbraw/zinc/90/61/34/573906134.db2.gz HMHXITNIJVIKON-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CCCCCC[N@@H+](C)C[C@@H](C)CN 44413465 573906138 /nfs/dbraw/zinc/90/61/38/573906138.db2.gz HMHXITNIJVIKON-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CCCCCCN(C)C[C@@H](C)C[NH3+] 44413465 573906144 /nfs/dbraw/zinc/90/61/44/573906144.db2.gz HMHXITNIJVIKON-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CCC[C@@H]1CCCC[N@@H+]1[C@@H](C)CCN 213033012 573906164 /nfs/dbraw/zinc/90/61/64/573906164.db2.gz UMVMJCUZIBZOAW-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@@H]1CCCC[N@H+]1[C@@H](C)CCN 213033012 573906169 /nfs/dbraw/zinc/90/61/69/573906169.db2.gz UMVMJCUZIBZOAW-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@H]1CCCC[N@@H+]1[C@@H](C)CCN 213033072 573906374 /nfs/dbraw/zinc/90/63/74/573906374.db2.gz UMVMJCUZIBZOAW-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@H]1CCCC[N@H+]1[C@@H](C)CCN 213033072 573906381 /nfs/dbraw/zinc/90/63/81/573906381.db2.gz UMVMJCUZIBZOAW-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC(C)(C)[C@H]1CC[C@H](CN)[C@@H]([NH3+])C1 224325907 573911262 /nfs/dbraw/zinc/91/12/62/573911262.db2.gz BVHHILFVHFRKRB-VWYCJHECSA-N 1 3 198.354 2.125 10 0 AEAEHO CCC(CC)N(C)CC[C@@H]1CCC[NH2+]1 42172096 573916440 /nfs/dbraw/zinc/91/64/40/573916440.db2.gz PTAIAWMRZSEKDY-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CN(CC(C)(C)C(C)(C)[NH3+])C1CCC1 127566978 573916445 /nfs/dbraw/zinc/91/64/45/573916445.db2.gz DRSNSDUOJPYFKA-UHFFFAOYSA-N 1 3 198.354 2.234 10 0 AEAEHO C[N@H+](CC(C)(C)C(C)(C)N)C1CCC1 127566978 573916448 /nfs/dbraw/zinc/91/64/48/573916448.db2.gz DRSNSDUOJPYFKA-UHFFFAOYSA-N 1 3 198.354 2.234 10 0 AEAEHO C[N@@H+](CC(C)(C)C(C)(C)N)C1CCC1 127566978 573916453 /nfs/dbraw/zinc/91/64/53/573916453.db2.gz DRSNSDUOJPYFKA-UHFFFAOYSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCN(CC[C@@H]1CCC[NH2+]1)C(C)C 42171997 573916761 /nfs/dbraw/zinc/91/67/61/573916761.db2.gz XCSPOGTUUGUEBG-LBPRGKRZSA-N 1 3 198.354 2.249 10 0 AEAEHO N[C@@H]1CC[C@@H]([NH2+]CCCCC2CC2)C1 716399912 573917003 /nfs/dbraw/zinc/91/70/03/573917003.db2.gz VVODQCUXPFISPX-VXGBXAGGSA-N 1 3 196.338 2.036 10 0 AEAEHO N[C@H]1CC[C@@H]([NH2+]CCCCC2CC2)C1 716399906 573917038 /nfs/dbraw/zinc/91/70/38/573917038.db2.gz VVODQCUXPFISPX-NWDGAFQWSA-N 1 3 196.338 2.036 10 0 AEAEHO CC(C)C[C@@H](CN)C[N@H+](C)C1CCC1 127563804 573919092 /nfs/dbraw/zinc/91/90/92/573919092.db2.gz YMXUJKDXLWSCRN-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@@H](CN)C[N@@H+](C)C1CCC1 127563804 573919097 /nfs/dbraw/zinc/91/90/97/573919097.db2.gz YMXUJKDXLWSCRN-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@@H](C[NH3+])CN(C)C1CCC1 127563804 573919103 /nfs/dbraw/zinc/91/91/03/573919103.db2.gz YMXUJKDXLWSCRN-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@H](CN)C[N@H+](C)C1CCC1 127564044 573918280 /nfs/dbraw/zinc/91/82/80/573918280.db2.gz YMXUJKDXLWSCRN-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@H](CN)C[N@@H+](C)C1CCC1 127564044 573918284 /nfs/dbraw/zinc/91/82/84/573918284.db2.gz YMXUJKDXLWSCRN-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@H](C[NH3+])CN(C)C1CCC1 127564044 573918289 /nfs/dbraw/zinc/91/82/89/573918289.db2.gz YMXUJKDXLWSCRN-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCN(CC[C@H]1CCC[NH2+]1)C1CC1 42172003 573918491 /nfs/dbraw/zinc/91/84/91/573918491.db2.gz KMLREOMRISRPQI-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[C@@H](CC)[N@H+](C)CCCNC 233283750 573918857 /nfs/dbraw/zinc/91/88/57/573918857.db2.gz XGILRKZJXRSBPP-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[C@@H](CC)[N@@H+](C)CCCNC 233283750 573918859 /nfs/dbraw/zinc/91/88/59/573918859.db2.gz XGILRKZJXRSBPP-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCCCN(CC)CC[C@@H]1CCC[NH2+]1 42171844 573918988 /nfs/dbraw/zinc/91/89/88/573918988.db2.gz ZCYSSRUHLFLTEI-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CC(C)[C@H](C)N(C)CC[C@@H]1CCC[NH2+]1 42172094 573921093 /nfs/dbraw/zinc/92/10/93/573921093.db2.gz PBDZVNXFZJWRTM-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCCN(C)CC[C@H]1CCC[NH2+]1 42172028 573921142 /nfs/dbraw/zinc/92/11/42/573921142.db2.gz QOKCPSDBWYGRKB-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCN(CC[C@@H]1CCC[NH2+]1)C1CC1 42172001 573920423 /nfs/dbraw/zinc/92/04/23/573920423.db2.gz KMLREOMRISRPQI-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H](C)CN(C)CC[C@@H]1CCC[NH2+]1 42172032 573920889 /nfs/dbraw/zinc/92/08/89/573920889.db2.gz HOVCSXFATLGAFG-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCN(CCC)CC[C@H]1CCC[NH2+]1 42171773 573920910 /nfs/dbraw/zinc/92/09/10/573920910.db2.gz SXZDBEMOYZRHRJ-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CC(C)[C@H](C)C[N@@H+]1CC[C@@H](N)C[C@H]1C 81065305 573930121 /nfs/dbraw/zinc/93/01/21/573930121.db2.gz WJKICUVOQCDSGM-IJLUTSLNSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)C[N@H+]1CC[C@@H](N)C[C@H]1C 81065305 573930124 /nfs/dbraw/zinc/93/01/24/573930124.db2.gz WJKICUVOQCDSGM-IJLUTSLNSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)C[N@@H+]1CC[C@H](N)C[C@@H]1C 81065316 573930552 /nfs/dbraw/zinc/93/05/52/573930552.db2.gz WJKICUVOQCDSGM-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)C[N@H+]1CC[C@H](N)C[C@@H]1C 81065316 573930556 /nfs/dbraw/zinc/93/05/56/573930556.db2.gz WJKICUVOQCDSGM-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@H](N)CC[NH+]1C[C@@H](C)C[C@H](C)C1 127768383 573936679 /nfs/dbraw/zinc/93/66/79/573936679.db2.gz IUSQACGNDRGTGH-SRVKXCTJSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H](CN)C[N@H+](C)CC1CCCCC1 42317927 573936787 /nfs/dbraw/zinc/93/67/87/573936787.db2.gz WGWDIBAOQNPXHX-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO C[C@H](CN)C[N@@H+](C)CC1CCCCC1 42317927 573936789 /nfs/dbraw/zinc/93/67/89/573936789.db2.gz WGWDIBAOQNPXHX-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](N)CC[NH+]1CCCCCCC1 127774363 573937092 /nfs/dbraw/zinc/93/70/92/573937092.db2.gz SFJFBURWELQFNC-GFCCVEGCSA-N 1 3 198.354 2.380 10 0 AEAEHO CC[C@@H](N)CC[N@@H+]1C[C@@H](C)C[C@@H](C)C1 127768150 573937251 /nfs/dbraw/zinc/93/72/51/573937251.db2.gz IUSQACGNDRGTGH-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](N)CC[N@H+]1C[C@@H](C)C[C@@H](C)C1 127768150 573937256 /nfs/dbraw/zinc/93/72/56/573937256.db2.gz IUSQACGNDRGTGH-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](N)CC[N@@H+]1[C@@H](C)CCC[C@H]1C 127770720 573938302 /nfs/dbraw/zinc/93/83/02/573938302.db2.gz NGPCBGWVFUXGML-TUAOUCFPSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[C@H](N)CC[N@H+]1[C@@H](C)CCC[C@H]1C 127770720 573938307 /nfs/dbraw/zinc/93/83/07/573938307.db2.gz NGPCBGWVFUXGML-TUAOUCFPSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC[NH+](CCC)CC[C@H](N)CC 127761965 573938400 /nfs/dbraw/zinc/93/84/00/573938400.db2.gz SIVFOVQYKMUXPJ-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CC[C@H](N)CC[N@H+](C)C1CCCCC1 127765469 573938710 /nfs/dbraw/zinc/93/87/10/573938710.db2.gz YEYMUGIDUJGNSV-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](N)CC[N@@H+](C)C1CCCCC1 127765469 573938715 /nfs/dbraw/zinc/93/87/15/573938715.db2.gz YEYMUGIDUJGNSV-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](N)CC[NH+]1CCCCCCC1 127774097 573938805 /nfs/dbraw/zinc/93/88/05/573938805.db2.gz SFJFBURWELQFNC-LBPRGKRZSA-N 1 3 198.354 2.380 10 0 AEAEHO CCC[NH2+]CCCN(C)[C@H](C)CC 42409504 573939885 /nfs/dbraw/zinc/93/98/85/573939885.db2.gz UFFFMVCGXDNONL-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCCC[N@H+](CC)CC[C@@H](N)CC 127764679 573940125 /nfs/dbraw/zinc/94/01/25/573940125.db2.gz RDJZFTVHNMDVTO-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCCC[N@@H+](CC)CC[C@@H](N)CC 127764679 573940131 /nfs/dbraw/zinc/94/01/31/573940131.db2.gz RDJZFTVHNMDVTO-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCCCN(CC)CC[C@@H]([NH3+])CC 127764679 573940135 /nfs/dbraw/zinc/94/01/35/573940135.db2.gz RDJZFTVHNMDVTO-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[NH2+]CCCN(CC)CCC 42409508 573940177 /nfs/dbraw/zinc/94/01/77/573940177.db2.gz OYALCQOQSJIMNW-UHFFFAOYSA-N 1 3 186.343 2.108 10 0 AEAEHO CCCCCN(C)CC[C@@H]([NH3+])CC 127782450 573942058 /nfs/dbraw/zinc/94/20/58/573942058.db2.gz KTZDYCZKZDLRFF-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CC[C@@H](N)CC[N@@H+]1CCCC[C@H]1CC 127777354 573942091 /nfs/dbraw/zinc/94/20/91/573942091.db2.gz BVZPNYYHPDANFO-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H](N)CC[N@H+]1CCCC[C@H]1CC 127777354 573942094 /nfs/dbraw/zinc/94/20/94/573942094.db2.gz BVZPNYYHPDANFO-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H](N)CC[N@H+](CC)[C@H](C)CC 127781671 573942215 /nfs/dbraw/zinc/94/22/15/573942215.db2.gz RNXJMDPXYBVIAP-GHMZBOCLSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@@H](N)CC[N@@H+](CC)[C@H](C)CC 127781671 573942219 /nfs/dbraw/zinc/94/22/19/573942219.db2.gz RNXJMDPXYBVIAP-GHMZBOCLSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[N@H+](CC[C@H](N)CC)C(C)C 127778837 573942325 /nfs/dbraw/zinc/94/23/25/573942325.db2.gz ICAZSCDWPCTONQ-LLVKDONJSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[N@@H+](CC[C@H](N)CC)C(C)C 127778837 573942329 /nfs/dbraw/zinc/94/23/29/573942329.db2.gz ICAZSCDWPCTONQ-LLVKDONJSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[N@H+](CCCNCC)C(C)C 42409484 573942436 /nfs/dbraw/zinc/94/24/36/573942436.db2.gz JMPLOAVMXVMHQN-UHFFFAOYSA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[N@@H+](CCCNCC)C(C)C 42409484 573942441 /nfs/dbraw/zinc/94/24/41/573942441.db2.gz JMPLOAVMXVMHQN-UHFFFAOYSA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[NH2+]CCCN1CCC[C@H](C)C1 42409218 573942540 /nfs/dbraw/zinc/94/25/40/573942540.db2.gz VESCFJYVCNYSLT-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO CC[C@H](N)CC[N@H+](CC)CC(C)C 127781140 573942559 /nfs/dbraw/zinc/94/25/59/573942559.db2.gz LMJTURKHKHWOLD-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](N)CC[N@@H+](CC)CC(C)C 127781140 573942567 /nfs/dbraw/zinc/94/25/67/573942567.db2.gz LMJTURKHKHWOLD-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H]1CCCC[N@H+]1CC[C@H](N)CC 127777583 573943535 /nfs/dbraw/zinc/94/35/35/573943535.db2.gz BVZPNYYHPDANFO-NEPJUHHUSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H]1CCCC[N@@H+]1CC[C@H](N)CC 127777583 573943537 /nfs/dbraw/zinc/94/35/37/573943537.db2.gz BVZPNYYHPDANFO-NEPJUHHUSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[NH2+]CCCN(CCC)C1CC1 42409513 573942980 /nfs/dbraw/zinc/94/29/80/573942980.db2.gz IDOCWDCLCMBYLE-UHFFFAOYSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[NH2+]CCCN1[C@@H](C)CCC[C@@H]1C 42409327 573943071 /nfs/dbraw/zinc/94/30/71/573943071.db2.gz VIWVJCAYGZKOFR-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCNCCC[NH+]1[C@@H](C)CCC[C@@H]1C 42409327 573943075 /nfs/dbraw/zinc/94/30/75/573943075.db2.gz VIWVJCAYGZKOFR-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+]CCCN(C)[C@@H](C)CC 42409503 573943108 /nfs/dbraw/zinc/94/31/08/573943108.db2.gz UFFFMVCGXDNONL-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[NH2+]CCCN(C)C1CCCC1 42409489 573943232 /nfs/dbraw/zinc/94/32/32/573943232.db2.gz AGYAAMNTQXDZAC-UHFFFAOYSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCNCCC[N@H+](C)C1CCCC1 42409489 573943234 /nfs/dbraw/zinc/94/32/34/573943234.db2.gz AGYAAMNTQXDZAC-UHFFFAOYSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCNCCC[N@@H+](C)C1CCCC1 42409489 573943240 /nfs/dbraw/zinc/94/32/40/573943240.db2.gz AGYAAMNTQXDZAC-UHFFFAOYSA-N 1 3 198.354 2.251 10 0 AEAEHO C[N@H+](CC(C)(C)C)[C@H]1CCC[C@@H]1CN 45068284 573943272 /nfs/dbraw/zinc/94/32/72/573943272.db2.gz QNZYYVIRHRLLFG-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO C[N@@H+](CC(C)(C)C)[C@H]1CCC[C@@H]1CN 45068284 573943277 /nfs/dbraw/zinc/94/32/77/573943277.db2.gz QNZYYVIRHRLLFG-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CCCCCN(C)CCC[NH2+]CC 42409533 573943300 /nfs/dbraw/zinc/94/33/00/573943300.db2.gz HLRXKDRLILBHQG-UHFFFAOYSA-N 1 3 186.343 2.108 10 0 AEAEHO CC(C)[NH2+]CCNC1(C)CCCCC1 45047203 573943325 /nfs/dbraw/zinc/94/33/25/573943325.db2.gz VAFNYDWZAKBXDF-UHFFFAOYSA-N 1 3 198.354 2.297 10 0 AEAEHO CCC[NH2+]CCCN1CCCCCC1 42409222 573943439 /nfs/dbraw/zinc/94/34/39/573943439.db2.gz NTIMZEZXOGUXTM-UHFFFAOYSA-N 1 3 198.354 2.252 10 0 AEAEHO CC[C@@H](N)CC[N@H+](CC)C1CCCC1 127786286 573945143 /nfs/dbraw/zinc/94/51/43/573945143.db2.gz AWKOZHUTHLMCRR-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H](N)CC[N@@H+](CC)C1CCCC1 127786286 573945147 /nfs/dbraw/zinc/94/51/47/573945147.db2.gz AWKOZHUTHLMCRR-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](N)CC[N@H+](CC)C1CCCC1 127786070 573944550 /nfs/dbraw/zinc/94/45/50/573944550.db2.gz AWKOZHUTHLMCRR-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](N)CC[N@@H+](CC)C1CCCC1 127786070 573944555 /nfs/dbraw/zinc/94/45/55/573944555.db2.gz AWKOZHUTHLMCRR-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)CC[C@H](N)CC 127781927 573945010 /nfs/dbraw/zinc/94/50/10/573945010.db2.gz RNXJMDPXYBVIAP-WDEREUQCSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@H](C)[N@H+](CC)CC[C@H](N)CC 127781927 573945013 /nfs/dbraw/zinc/94/50/13/573945013.db2.gz RNXJMDPXYBVIAP-WDEREUQCSA-N 1 3 186.343 2.234 10 0 AEAEHO CC(C)(N)CC[NH2+]C[C@@H]1CC=CCC1 308470025 573945604 /nfs/dbraw/zinc/94/56/04/573945604.db2.gz BHHJYHMMJJKPLV-LLVKDONJSA-N 1 3 196.338 2.060 10 0 AEAEHO CC[C@H](CCN)[N@H+](C)CC(C)(C)C 45068644 573946097 /nfs/dbraw/zinc/94/60/97/573946097.db2.gz CNXNACWOVJCPRN-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](CCN)[N@@H+](C)CC(C)(C)C 45068644 573946103 /nfs/dbraw/zinc/94/61/03/573946103.db2.gz CNXNACWOVJCPRN-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](CC(N)=[NH2+])N(C)CC(C)(C)C 45074248 573947159 /nfs/dbraw/zinc/94/71/59/573947159.db2.gz ZCFWFNQWCPHBFG-SECBINFHSA-N 1 3 199.342 2.069 10 0 AEAEHO C[C@H](N)CC[NH2+]C1(C)CCCCC1 45047273 573947204 /nfs/dbraw/zinc/94/72/04/573947204.db2.gz ADVGSNNUQMEWJW-JTQLQIEISA-N 1 3 184.327 2.036 10 0 AEAEHO CC(C)(C)[C@H](CN)C[NH2+]C1CCCC1 258186851 573951088 /nfs/dbraw/zinc/95/10/88/573951088.db2.gz OTCXDAUXEXBNFR-SNVBAGLBSA-N 1 3 198.354 2.140 10 0 AEAEHO CN(CC[C@@H]1CCC[NH2+]1)CC(C)(C)C 45089661 573953196 /nfs/dbraw/zinc/95/31/96/573953196.db2.gz AZDHWZNAPYURBN-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO Cc1ccc([C@H](N)CC(C)(C)[NH3+])cc1 259249201 573953511 /nfs/dbraw/zinc/95/35/11/573953511.db2.gz IAPMGEDAWIZWMO-LLVKDONJSA-N 1 3 192.306 2.122 10 0 AEAEHO CC(C)[NH2+]C[C@@H](C)CN(C)C1CCC1 127708203 573954479 /nfs/dbraw/zinc/95/44/79/573954479.db2.gz VXEBMEJNEKXUTN-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC1CC[NH+]([C@@H](CC)CCN)CC1 42446227 573954700 /nfs/dbraw/zinc/95/47/00/573954700.db2.gz FYTDTWWZTREWJX-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)[NH2+]C[C@H](C)CN(C)C1CCC1 127708428 573954734 /nfs/dbraw/zinc/95/47/34/573954734.db2.gz VXEBMEJNEKXUTN-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCC[N@H+](CC)C[C@H](C)CN 42442933 573955089 /nfs/dbraw/zinc/95/50/89/573955089.db2.gz ZHTYVAHPKQCXCP-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CCCCC[N@@H+](CC)C[C@H](C)CN 42442933 573955096 /nfs/dbraw/zinc/95/50/96/573955096.db2.gz ZHTYVAHPKQCXCP-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CCC1CC[NH+]([C@H](CC)CCN)CC1 42446229 573955131 /nfs/dbraw/zinc/95/51/31/573955131.db2.gz FYTDTWWZTREWJX-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[C@@H](C)[NH2+]CC[C@H](N)CC 127872920 573957522 /nfs/dbraw/zinc/95/75/22/573957522.db2.gz QVUZXPGYNZUTDK-GHMZBOCLSA-N 1 3 186.343 2.282 10 0 AEAEHO CC[C@@H](N)CC[NH2+]C1(C)CCCCC1 127860220 573957890 /nfs/dbraw/zinc/95/78/90/573957890.db2.gz DSURUHGFFUORHO-LLVKDONJSA-N 1 3 198.354 2.426 10 0 AEAEHO CCCC[C@H]([NH3+])CN[C@@H]1CCC1(C)C 308471745 573957957 /nfs/dbraw/zinc/95/79/57/573957957.db2.gz BXDYXQCVVAAVMH-WDEREUQCSA-N 1 3 198.354 2.282 10 0 AEAEHO CC[C@H]([NH3+])CCN(C)CC(C)(C)C 127860468 573958881 /nfs/dbraw/zinc/95/88/81/573958881.db2.gz AEKUTGLDVUJHGF-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](N)CC[N@H+](C)CC(C)(C)C 127860468 573958887 /nfs/dbraw/zinc/95/88/87/573958887.db2.gz AEKUTGLDVUJHGF-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](N)CC[N@@H+](C)CC(C)(C)C 127860468 573958892 /nfs/dbraw/zinc/95/88/92/573958892.db2.gz AEKUTGLDVUJHGF-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](N)CC[NH2+]C1(C)CCCCC1 127859971 573959181 /nfs/dbraw/zinc/95/91/81/573959181.db2.gz DSURUHGFFUORHO-NSHDSACASA-N 1 3 198.354 2.426 10 0 AEAEHO CCC[N@H+](CCCNCC)CC1CC1 42491038 573959333 /nfs/dbraw/zinc/95/93/33/573959333.db2.gz GRYGMPQQWRWTKV-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[N@@H+](CCCNCC)CC1CC1 42491038 573959336 /nfs/dbraw/zinc/95/93/36/573959336.db2.gz GRYGMPQQWRWTKV-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[C@@H](C)[N@H+](C)CC[C@H](N)CC 127791159 573962416 /nfs/dbraw/zinc/96/24/16/573962416.db2.gz NJFUJKVCOGMEDV-GHMZBOCLSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@@H](C)[N@@H+](C)CC[C@H](N)CC 127791159 573962421 /nfs/dbraw/zinc/96/24/21/573962421.db2.gz NJFUJKVCOGMEDV-GHMZBOCLSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@@H](C)N(C)CC[C@H]([NH3+])CC 127791159 573962426 /nfs/dbraw/zinc/96/24/26/573962426.db2.gz NJFUJKVCOGMEDV-GHMZBOCLSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC(CC)[N@@H+](C)CC[C@@H](N)CC 127790820 573962498 /nfs/dbraw/zinc/96/24/98/573962498.db2.gz MLPXHPLFJUXEPF-JTQLQIEISA-N 1 3 186.343 2.234 10 0 AEAEHO CCC(CC)[N@H+](C)CC[C@@H](N)CC 127790820 573962504 /nfs/dbraw/zinc/96/25/04/573962504.db2.gz MLPXHPLFJUXEPF-JTQLQIEISA-N 1 3 186.343 2.234 10 0 AEAEHO CCNC[C@H](CC)[N@@H+]1CC[C@@H](CC)C1 127788792 573962741 /nfs/dbraw/zinc/96/27/41/573962741.db2.gz VTKVSGCHPBPJKR-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNC[C@H](CC)[N@H+]1CC[C@@H](CC)C1 127788792 573962747 /nfs/dbraw/zinc/96/27/47/573962747.db2.gz VTKVSGCHPBPJKR-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](N)CC[NH2+]C1CCCCCC1 127799814 573967843 /nfs/dbraw/zinc/96/78/43/573967843.db2.gz NYRNGOUFNOCVSY-LLVKDONJSA-N 1 3 198.354 2.426 10 0 AEAEHO CC[C@@H](N)CC[NH2+]C1CCCCC1 127800730 573967917 /nfs/dbraw/zinc/96/79/17/573967917.db2.gz GRZNSIOSQCQNCW-SNVBAGLBSA-N 1 3 184.327 2.036 10 0 AEAEHO CCN[C@H]1CC[N@@H+]([C@@H](C)[C@@H](C)CC)C1 42556635 573969251 /nfs/dbraw/zinc/96/92/51/573969251.db2.gz WYGQJGCYUSMILJ-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@H]1CC[N@H+]([C@@H](C)[C@@H](C)CC)C1 42556635 573969255 /nfs/dbraw/zinc/96/92/55/573969255.db2.gz WYGQJGCYUSMILJ-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](N)CC[NH2+]C1CCCCC1 127800527 573969428 /nfs/dbraw/zinc/96/94/28/573969428.db2.gz GRZNSIOSQCQNCW-JTQLQIEISA-N 1 3 184.327 2.036 10 0 AEAEHO CC[C@H](C)[N@@H+]1CC[C@@H](NC)CC1(C)C 259254992 573972361 /nfs/dbraw/zinc/97/23/61/573972361.db2.gz FHPWAXJADZOUJJ-WDEREUQCSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H](C)[N@H+]1CC[C@@H](NC)CC1(C)C 259254992 573972366 /nfs/dbraw/zinc/97/23/66/573972366.db2.gz FHPWAXJADZOUJJ-WDEREUQCSA-N 1 3 198.354 2.247 10 0 AEAEHO CC(C)C[C@H](C)N(C)[C@@H](C)CC(N)=[NH2+] 42584087 573976245 /nfs/dbraw/zinc/97/62/45/573976245.db2.gz IWVHFUVBMUBOKW-UWVGGRQHSA-N 1 3 199.342 2.067 10 0 AEAEHO CC(C)C[C@@H](C)N(C)[C@@H](C)CC(N)=[NH2+] 42584084 573979720 /nfs/dbraw/zinc/97/97/20/573979720.db2.gz IWVHFUVBMUBOKW-ZJUUUORDSA-N 1 3 199.342 2.067 10 0 AEAEHO CCCCN(CC[C@H]([NH3+])CC)C1CC1 127826607 573979741 /nfs/dbraw/zinc/97/97/41/573979741.db2.gz WTLBTHLUXSGIHS-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](CCN)[N@H+](CC(C)C)C1CC1 42554570 573979865 /nfs/dbraw/zinc/97/98/65/573979865.db2.gz KDTVDLSXXAVLLK-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](CCN)[N@@H+](CC(C)C)C1CC1 42554570 573979868 /nfs/dbraw/zinc/97/98/68/573979868.db2.gz KDTVDLSXXAVLLK-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCCC[C@@H](C)N1CCC([NH3+])CC1 42571349 573983278 /nfs/dbraw/zinc/98/32/78/573983278.db2.gz LDZLOMLFHVGVJN-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCCC[C@@H](C)[NH+]1CCC(N)CC1 42571349 573983281 /nfs/dbraw/zinc/98/32/81/573983281.db2.gz LDZLOMLFHVGVJN-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC(C)C[C@@H](C)[N@H+](C)CC[C@@H](C)N 42580825 573983670 /nfs/dbraw/zinc/98/36/70/573983670.db2.gz IJSVWIOQQPDXHD-GHMZBOCLSA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)C[C@@H](C)[N@@H+](C)CC[C@@H](C)N 42580825 573983674 /nfs/dbraw/zinc/98/36/74/573983674.db2.gz IJSVWIOQQPDXHD-GHMZBOCLSA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)C[C@@H](C)N(C)CC[C@@H](C)[NH3+] 42580825 573983679 /nfs/dbraw/zinc/98/36/79/573983679.db2.gz IJSVWIOQQPDXHD-GHMZBOCLSA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)C[N@H+](C(C)C)[C@@H](C)CCN 42563128 573986197 /nfs/dbraw/zinc/98/61/97/573986197.db2.gz KEORSSMOMOVXNR-NSHDSACASA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)C[N@@H+](C(C)C)[C@@H](C)CCN 42563128 573986199 /nfs/dbraw/zinc/98/61/99/573986199.db2.gz KEORSSMOMOVXNR-NSHDSACASA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@H](N(C)C)C1 131795728 573987305 /nfs/dbraw/zinc/98/73/05/573987305.db2.gz LBQXABAZOBDIDC-TUAOUCFPSA-N 1 3 198.354 2.103 10 0 AEAEHO CCCC(C)(C)C[NH2+]CC1(CN)CC1 259032548 573989513 /nfs/dbraw/zinc/98/95/13/573989513.db2.gz ZRTLGSBSQYEDCT-UHFFFAOYSA-N 1 3 198.354 2.141 10 0 AEAEHO CC(C)CC[N@@H+]1CCCNCC[C@H]1C 259260492 573989692 /nfs/dbraw/zinc/98/96/92/573989692.db2.gz FPVKBZMYYAHHIH-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)CC[N@H+]1CCCNCC[C@H]1C 259260492 573989694 /nfs/dbraw/zinc/98/96/94/573989694.db2.gz FPVKBZMYYAHHIH-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@H]1CCCCC[C@@H]1[NH2+]C1CC(N)C1 87652090 573994025 /nfs/dbraw/zinc/99/40/25/573994025.db2.gz OKXVGKMYUAGAKQ-XKGSQUFQSA-N 1 3 196.338 2.035 10 0 AEAEHO CC[C@@H](N)CC[N@@H+]1CCCCC[C@@H]1C 127904924 573994044 /nfs/dbraw/zinc/99/40/44/573994044.db2.gz UVJCOBHTYGVBGR-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H](N)CC[N@H+]1CCCCC[C@@H]1C 127904924 573994049 /nfs/dbraw/zinc/99/40/49/573994049.db2.gz UVJCOBHTYGVBGR-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H]([NH3+])CCNC1C(C)(C)C1(C)C 127924121 573997595 /nfs/dbraw/zinc/99/75/95/573997595.db2.gz KIQKTOZXPANTQR-VIFPVBQESA-N 1 3 198.354 2.138 10 0 AEAEHO CC1(C)CCCC[C@@H]1[NH2+]C1CC(N)C1 87652157 573993441 /nfs/dbraw/zinc/99/34/41/573993441.db2.gz PVOBPJOAEKKEQL-ILDUYXDCSA-N 1 3 196.338 2.035 10 0 AEAEHO CCNC[C@H](C)[C@H](C)[N@H+](C)C1CCC1 127912389 573993465 /nfs/dbraw/zinc/99/34/65/573993465.db2.gz RBGBNGCAWKEDEO-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@H](C)[C@H](C)[N@@H+](C)C1CCC1 127912389 573993470 /nfs/dbraw/zinc/99/34/70/573993470.db2.gz RBGBNGCAWKEDEO-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+]C[C@H](C)[C@H](C)N(C)C1CCC1 127912389 573993473 /nfs/dbraw/zinc/99/34/73/573993473.db2.gz RBGBNGCAWKEDEO-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](N)CC[N@@H+]1C[C@H](C)CC[C@@H]1C 127918627 573993556 /nfs/dbraw/zinc/99/35/56/573993556.db2.gz LEZPNRFXNPRQBA-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](N)CC[N@H+]1C[C@H](C)CC[C@@H]1C 127918627 573993559 /nfs/dbraw/zinc/99/35/59/573993559.db2.gz LEZPNRFXNPRQBA-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]1CCCCC[C@@H]1[NH2+]C1CC(N)C1 87652089 573993628 /nfs/dbraw/zinc/99/36/28/573993628.db2.gz OKXVGKMYUAGAKQ-YYJSSNLHSA-N 1 3 196.338 2.035 10 0 AEAEHO C[C@H]1CCCCC[C@H]1[NH2+]C1CC(N)C1 87652092 573993915 /nfs/dbraw/zinc/99/39/15/573993915.db2.gz OKXVGKMYUAGAKQ-WNYYMSAVSA-N 1 3 196.338 2.035 10 0 AEAEHO CC[C@@H](N)CC[N@@H+]1CCC[C@@H]1C(C)C 127919303 573995274 /nfs/dbraw/zinc/99/52/74/573995274.db2.gz WCBSTRHWBHNOCJ-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](N)CC[N@H+]1CCC[C@@H]1C(C)C 127919303 573995276 /nfs/dbraw/zinc/99/52/76/573995276.db2.gz WCBSTRHWBHNOCJ-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO NC1CC([NH2+]C2CCCCCCC2)C1 87651090 573994598 /nfs/dbraw/zinc/99/45/98/573994598.db2.gz SGGJBJVERZWORS-UHFFFAOYSA-N 1 3 196.338 2.179 10 0 AEAEHO CC[C@H]([NH3+])CCN1CCCC(C)(C)C1 127903254 573995093 /nfs/dbraw/zinc/99/50/93/573995093.db2.gz UXAJZMLENPRVMG-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](N)CC[N@@H+]1CCCC(C)(C)C1 127903254 573995097 /nfs/dbraw/zinc/99/50/97/573995097.db2.gz UXAJZMLENPRVMG-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](N)CC[N@H+]1CCCC(C)(C)C1 127903254 573995103 /nfs/dbraw/zinc/99/51/03/573995103.db2.gz UXAJZMLENPRVMG-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCNC[C@@H](C)[C@@H](C)[N@H+](C)C1CCC1 127911711 573997916 /nfs/dbraw/zinc/99/79/16/573997916.db2.gz RBGBNGCAWKEDEO-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@@H](C)[C@@H](C)[N@@H+](C)C1CCC1 127911711 573997917 /nfs/dbraw/zinc/99/79/17/573997917.db2.gz RBGBNGCAWKEDEO-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+]C[C@@H](C)[C@@H](C)N(C)C1CCC1 127911711 573997931 /nfs/dbraw/zinc/99/79/31/573997931.db2.gz RBGBNGCAWKEDEO-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H]1CC[C@@H](C)[N@H+](CC[C@@H](C)N)C1 715112848 573998251 /nfs/dbraw/zinc/99/82/51/573998251.db2.gz MDQPRIWLKWFYEI-UTUOFQBUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H]1CC[C@@H](C)[N@@H+](CC[C@@H](C)N)C1 715112848 573998255 /nfs/dbraw/zinc/99/82/55/573998255.db2.gz MDQPRIWLKWFYEI-UTUOFQBUSA-N 1 3 198.354 2.234 10 0 AEAEHO CNCC[C@@H](CC(C)C)[NH+]1CCCC1 82291906 574000340 /nfs/dbraw/zinc/00/03/40/574000340.db2.gz LWELNCQEPNMTDX-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](CCNC)[NH+]1CCCCC1 82291909 574000568 /nfs/dbraw/zinc/00/05/68/574000568.db2.gz DZPJPVZTIVGZIA-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CN[C@@H](C1CCCCC1)C(C)(C)[NH2+]C 259591498 574004205 /nfs/dbraw/zinc/00/42/05/574004205.db2.gz XUDHARBJFLHVBB-NSHDSACASA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@@H]1CCCCC[N@@H+]1[C@@H](C)CCN 128035197 574007509 /nfs/dbraw/zinc/00/75/09/574007509.db2.gz FBYUXGFOZUYOQA-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H]1CCCCC[N@H+]1[C@@H](C)CCN 128035197 574007513 /nfs/dbraw/zinc/00/75/13/574007513.db2.gz FBYUXGFOZUYOQA-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CC(C)[NH2+]CCN[C@H](C)C1CCCC1 393654994 574011084 /nfs/dbraw/zinc/01/10/84/574011084.db2.gz FSPNDXRCEVNVFJ-LLVKDONJSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCN(CC)C1C[C@@H]2CC[C@H](C1)[NH2+]2 48570619 574011680 /nfs/dbraw/zinc/01/16/80/574011680.db2.gz XERRMUKXPPYJAY-FOSCPWQOSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)(CC[NH3+])[C@@H](N)c1cccs1 259273781 574013307 /nfs/dbraw/zinc/01/33/07/574013307.db2.gz IYNVSJCXHOVABV-VIFPVBQESA-N 1 3 198.335 2.123 10 0 AEAEHO CC(C)(CC[NH3+])[C@H](N)c1cccs1 259273778 574014385 /nfs/dbraw/zinc/01/43/85/574014385.db2.gz IYNVSJCXHOVABV-SECBINFHSA-N 1 3 198.335 2.123 10 0 AEAEHO C[C@@H]1CCNCCC[N@@H+]1C1CCCC1 259300154 574048066 /nfs/dbraw/zinc/04/80/66/574048066.db2.gz HLTBNPGWNIFQEP-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H]1CCNCCC[N@H+]1C1CCCC1 259300154 574048068 /nfs/dbraw/zinc/04/80/68/574048068.db2.gz HLTBNPGWNIFQEP-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H]1CCNCCC[N@@H+]1C1CCCC1 259300157 574048076 /nfs/dbraw/zinc/04/80/76/574048076.db2.gz HLTBNPGWNIFQEP-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H]1CCNCCC[N@H+]1C1CCCC1 259300157 574048078 /nfs/dbraw/zinc/04/80/78/574048078.db2.gz HLTBNPGWNIFQEP-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H](CN)C[N@H+](C)C1CCCCCC1 36328146 1169076291 /nfs/dbraw/zinc/07/62/91/1169076291.db2.gz IEDNQDVDCMYDSX-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@H](CN)C[N@@H+](C)C1CCCCCC1 36328146 1169076303 /nfs/dbraw/zinc/07/63/03/1169076303.db2.gz IEDNQDVDCMYDSX-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC1([NH2+]C2CCNCC2)CCCCC1 45042882 1169091298 /nfs/dbraw/zinc/09/12/98/1169091298.db2.gz WGMDXGCZFSAUEZ-UHFFFAOYSA-N 1 3 196.338 2.051 10 0 AEAEHO CC[N@H+](CCCNC1CC1)C1CCC1 706822298 673988364 /nfs/dbraw/zinc/98/83/64/673988364.db2.gz DXEZOOXOHTXLAJ-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[N@@H+](CCCNC1CC1)C1CCC1 706822298 673988367 /nfs/dbraw/zinc/98/83/67/673988367.db2.gz DXEZOOXOHTXLAJ-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CCN(CC)CC[C@@H](C)[NH2+]C(C)C 145411895 1169224632 /nfs/dbraw/zinc/22/46/32/1169224632.db2.gz NKTQQGIEVUUAME-LLVKDONJSA-N 1 3 186.343 2.105 10 0 AEAEHO CCN(CC)CC[C@H](C)[NH2+]C(C)C 145412089 1169225199 /nfs/dbraw/zinc/22/51/99/1169225199.db2.gz NKTQQGIEVUUAME-NSHDSACASA-N 1 3 186.343 2.105 10 0 AEAEHO CCC1([NH3+])CCN(CC(C)(C)C)CC1 714750657 674018388 /nfs/dbraw/zinc/01/83/88/674018388.db2.gz WPMVBHSFUUXDJD-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H]1CCC[N@@H+]1CCCNC1CC1 37914230 674063632 /nfs/dbraw/zinc/06/36/32/674063632.db2.gz KGURJBDJJVVCDM-LBPRGKRZSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H]1CCC[N@@H+]1CCCNC1CC1 37914229 674063604 /nfs/dbraw/zinc/06/36/04/674063604.db2.gz KGURJBDJJVVCDM-GFCCVEGCSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H]1CCC[N@H+]1CCCNC1CC1 37914229 674063605 /nfs/dbraw/zinc/06/36/05/674063605.db2.gz KGURJBDJJVVCDM-GFCCVEGCSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H]1CCC[N@H+]1CCCNC1CC1 37914230 674063633 /nfs/dbraw/zinc/06/36/33/674063633.db2.gz KGURJBDJJVVCDM-LBPRGKRZSA-N 1 3 196.338 2.003 10 0 AEAEHO CCCCCC[N@@H+]1CC[C@@H](C)[C@@H](N)C1 226299169 1169373349 /nfs/dbraw/zinc/37/33/49/1169373349.db2.gz KLJXLAPLZIGXHQ-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCCC[N@H+]1CC[C@@H](C)[C@@H](N)C1 226299169 1169373355 /nfs/dbraw/zinc/37/33/55/1169373355.db2.gz KLJXLAPLZIGXHQ-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[C@@H](CCC)[NH2+]C1CC(N)C1 225985077 1169375123 /nfs/dbraw/zinc/37/51/23/1169375123.db2.gz XPNOTEBMHUGKOO-MOENNCHZSA-N 1 3 198.354 2.425 10 0 AEAEHO CCCC[C@H](CCC)[NH2+]C1CC(N)C1 225985087 1169376273 /nfs/dbraw/zinc/37/62/73/1169376273.db2.gz XPNOTEBMHUGKOO-CXQJBGSLSA-N 1 3 198.354 2.425 10 0 AEAEHO CCCC[N@H+](CC)[C@H]1CCN[C@@H](C)C1 229538397 1169385385 /nfs/dbraw/zinc/38/53/85/1169385385.db2.gz OTCJMVCXBLVNDY-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@@H+](CC)[C@H]1CCN[C@@H](C)C1 229538397 1169385397 /nfs/dbraw/zinc/38/53/97/1169385397.db2.gz OTCJMVCXBLVNDY-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO C[C@H]1C[C@@H]([N@H+](C)C2CCCC2)CCN1 229541188 1169385607 /nfs/dbraw/zinc/38/56/07/1169385607.db2.gz ADSJFSVFNMHNTL-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@H]1C[C@@H]([N@@H+](C)C2CCCC2)CCN1 229541188 1169385617 /nfs/dbraw/zinc/38/56/17/1169385617.db2.gz ADSJFSVFNMHNTL-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@H]1C[C@H]([N@H+](C)C2CCCC2)CCN1 229541170 1169386192 /nfs/dbraw/zinc/38/61/92/1169386192.db2.gz ADSJFSVFNMHNTL-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@H]1C[C@H]([N@@H+](C)C2CCCC2)CCN1 229541170 1169386204 /nfs/dbraw/zinc/38/62/04/1169386204.db2.gz ADSJFSVFNMHNTL-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@@H]1C[C@@H]([N@H+](C)CC(C)(C)C)CCN1 229545522 1169386305 /nfs/dbraw/zinc/38/63/05/1169386305.db2.gz NMAQJMNUTQETLD-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@@H]1C[C@@H]([N@@H+](C)CC(C)(C)C)CCN1 229545522 1169386316 /nfs/dbraw/zinc/38/63/16/1169386316.db2.gz NMAQJMNUTQETLD-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)[N@H+](C)[C@@H]1CCN[C@@H](C)C1 229542052 1169386697 /nfs/dbraw/zinc/38/66/97/1169386697.db2.gz XUJWMJCRJJCIPE-CMPLNLGQSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@@H]1CCN[C@@H](C)C1 229542052 1169386705 /nfs/dbraw/zinc/38/67/05/1169386705.db2.gz XUJWMJCRJJCIPE-CMPLNLGQSA-N 1 3 198.354 2.247 10 0 AEAEHO C[C@@H]1C[C@H]([N@H+](C)C2CCCC2)CCN1 229541161 1169386976 /nfs/dbraw/zinc/38/69/76/1169386976.db2.gz ADSJFSVFNMHNTL-ZYHUDNBSSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@@H]1C[C@H]([N@@H+](C)C2CCCC2)CCN1 229541161 1169386986 /nfs/dbraw/zinc/38/69/86/1169386986.db2.gz ADSJFSVFNMHNTL-ZYHUDNBSSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@H]1C[C@H]([N@H+](C)CC(C)(C)C)CCN1 229545517 1169388270 /nfs/dbraw/zinc/38/82/70/1169388270.db2.gz NMAQJMNUTQETLD-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@H]1C[C@H]([N@@H+](C)CC(C)(C)C)CCN1 229545517 1169388280 /nfs/dbraw/zinc/38/82/80/1169388280.db2.gz NMAQJMNUTQETLD-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@@H]1C[C@H]([N@H+](C)CC(C)(C)C)CCN1 229545511 1169388600 /nfs/dbraw/zinc/38/86/00/1169388600.db2.gz NMAQJMNUTQETLD-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@@H]1C[C@H]([N@@H+](C)CC(C)(C)C)CCN1 229545511 1169388611 /nfs/dbraw/zinc/38/86/11/1169388611.db2.gz NMAQJMNUTQETLD-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCC[N@H+](C)[C@H]1CCN[C@@H](C)C1 229541521 1169388693 /nfs/dbraw/zinc/38/86/93/1169388693.db2.gz IIMFNXOLIJDRSX-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[N@@H+](C)[C@H]1CCN[C@@H](C)C1 229541521 1169388700 /nfs/dbraw/zinc/38/87/00/1169388700.db2.gz IIMFNXOLIJDRSX-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO C[C@@H]1C[C@@H]([N@H+](C)C2CCCC2)CCN1 229541177 1169388727 /nfs/dbraw/zinc/38/87/27/1169388727.db2.gz ADSJFSVFNMHNTL-PWSUYJOCSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@@H]1C[C@@H]([N@@H+](C)C2CCCC2)CCN1 229541177 1169388733 /nfs/dbraw/zinc/38/87/33/1169388733.db2.gz ADSJFSVFNMHNTL-PWSUYJOCSA-N 1 3 196.338 2.001 10 0 AEAEHO CCCC[N@H+](CC)[C@@H]1CCN[C@@H](C)C1 229538389 1169388849 /nfs/dbraw/zinc/38/88/49/1169388849.db2.gz OTCJMVCXBLVNDY-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@@H+](CC)[C@@H]1CCN[C@@H](C)C1 229538389 1169388860 /nfs/dbraw/zinc/38/88/60/1169388860.db2.gz OTCJMVCXBLVNDY-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO C[C@H]1C[C@@H]([N@H+](C)CC(C)(C)C)CCN1 229545528 1169389076 /nfs/dbraw/zinc/38/90/76/1169389076.db2.gz NMAQJMNUTQETLD-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@H]1C[C@@H]([N@@H+](C)CC(C)(C)C)CCN1 229545528 1169389087 /nfs/dbraw/zinc/38/90/87/1169389087.db2.gz NMAQJMNUTQETLD-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCC[N@H+](C)[C@@H]1CCN[C@@H](C)C1 229541512 1169389564 /nfs/dbraw/zinc/38/95/64/1169389564.db2.gz IIMFNXOLIJDRSX-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[N@@H+](C)[C@@H]1CCN[C@@H](C)C1 229541512 1169389574 /nfs/dbraw/zinc/38/95/74/1169389574.db2.gz IIMFNXOLIJDRSX-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC(CC)[N@H+](C)[C@H]1CCN[C@@H](C)C1 229542059 1169389674 /nfs/dbraw/zinc/38/96/74/1169389674.db2.gz XUJWMJCRJJCIPE-JQWIXIFHSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@H]1CCN[C@@H](C)C1 229542059 1169389683 /nfs/dbraw/zinc/38/96/83/1169389683.db2.gz XUJWMJCRJJCIPE-JQWIXIFHSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H]1CCC[N@@H+]1[C@@H]1CCN[C@@H](C)C1 229542926 1169390170 /nfs/dbraw/zinc/39/01/70/1169390170.db2.gz MDEPUMRNGJYFRA-QJPTWQEYSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[C@@H]1CCC[N@H+]1[C@@H]1CCN[C@@H](C)C1 229542926 1169390187 /nfs/dbraw/zinc/39/01/87/1169390187.db2.gz MDEPUMRNGJYFRA-QJPTWQEYSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC[C@@H](C)[N@H+](CCC)CCCN 233275553 1169409980 /nfs/dbraw/zinc/40/99/80/1169409980.db2.gz ALGNZXLBPPTWDE-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[C@@H](C)[N@@H+](CCC)CCCN 233275553 1169409982 /nfs/dbraw/zinc/40/99/82/1169409982.db2.gz ALGNZXLBPPTWDE-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[C@@H](C)[N@H+](CCCN)C(C)C 233275591 1169410721 /nfs/dbraw/zinc/41/07/21/1169410721.db2.gz WTHNULKAVZUMDV-LLVKDONJSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@@H](C)[N@@H+](CCCN)C(C)C 233275591 1169410725 /nfs/dbraw/zinc/41/07/25/1169410725.db2.gz WTHNULKAVZUMDV-LLVKDONJSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@H](C)[N@H+](CCCN)C(C)C 233333777 1169411437 /nfs/dbraw/zinc/41/14/37/1169411437.db2.gz WTHNULKAVZUMDV-NSHDSACASA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@H](C)[N@@H+](CCCN)C(C)C 233333777 1169411439 /nfs/dbraw/zinc/41/14/39/1169411439.db2.gz WTHNULKAVZUMDV-NSHDSACASA-N 1 3 186.343 2.234 10 0 AEAEHO CC(C)CCC[N@@H+]1CC[C@@H](C)[C@H](N)C1 251665080 1169432370 /nfs/dbraw/zinc/43/23/70/1169432370.db2.gz LBWWKKXLXAXNNX-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CCC[N@H+]1CC[C@@H](C)[C@H](N)C1 251665080 1169432376 /nfs/dbraw/zinc/43/23/76/1169432376.db2.gz LBWWKKXLXAXNNX-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H]1CCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 252945699 1169435866 /nfs/dbraw/zinc/43/58/66/1169435866.db2.gz MDEPUMRNGJYFRA-IJLUTSLNSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[C@@H]1CCC[N@H+]1[C@@H]1CCN[C@H](C)C1 252945699 1169435870 /nfs/dbraw/zinc/43/58/70/1169435870.db2.gz MDEPUMRNGJYFRA-IJLUTSLNSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[C@@H]1CCC[N@@H+]1[C@H]1CCN[C@H](C)C1 252945701 1169436091 /nfs/dbraw/zinc/43/60/91/1169436091.db2.gz MDEPUMRNGJYFRA-UTUOFQBUSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[C@@H]1CCC[N@H+]1[C@H]1CCN[C@H](C)C1 252945701 1169436092 /nfs/dbraw/zinc/43/60/92/1169436092.db2.gz MDEPUMRNGJYFRA-UTUOFQBUSA-N 1 3 196.338 2.001 10 0 AEAEHO CCCCC[N@H+](C)[C@H]1CCN[C@H](C)C1 252939841 1169436204 /nfs/dbraw/zinc/43/62/04/1169436204.db2.gz IIMFNXOLIJDRSX-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[N@@H+](C)[C@H]1CCN[C@H](C)C1 252939841 1169436215 /nfs/dbraw/zinc/43/62/15/1169436215.db2.gz IIMFNXOLIJDRSX-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[N@H+](C)[C@@H]1CCN[C@H](C)C1 252939842 1169436384 /nfs/dbraw/zinc/43/63/84/1169436384.db2.gz IIMFNXOLIJDRSX-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[N@@H+](C)[C@@H]1CCN[C@H](C)C1 252939842 1169436388 /nfs/dbraw/zinc/43/63/88/1169436388.db2.gz IIMFNXOLIJDRSX-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H]1CCC[N@@H+]1[C@H]1CCN[C@@H](C)C1 252945700 1169437327 /nfs/dbraw/zinc/43/73/27/1169437327.db2.gz MDEPUMRNGJYFRA-TUAOUCFPSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[C@@H]1CCC[N@H+]1[C@H]1CCN[C@@H](C)C1 252945700 1169437335 /nfs/dbraw/zinc/43/73/35/1169437335.db2.gz MDEPUMRNGJYFRA-TUAOUCFPSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC(CC)[N@H+](C)[C@@H]1CCN[C@H](C)C1 252966976 1169437425 /nfs/dbraw/zinc/43/74/25/1169437425.db2.gz XUJWMJCRJJCIPE-ZYHUDNBSSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@@H]1CCN[C@H](C)C1 252966976 1169437431 /nfs/dbraw/zinc/43/74/31/1169437431.db2.gz XUJWMJCRJJCIPE-ZYHUDNBSSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(CC)[N@H+](C)[C@H]1CCN[C@H](C)C1 252966975 1169437611 /nfs/dbraw/zinc/43/76/11/1169437611.db2.gz XUJWMJCRJJCIPE-PWSUYJOCSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@H]1CCN[C@H](C)C1 252966975 1169437622 /nfs/dbraw/zinc/43/76/22/1169437622.db2.gz XUJWMJCRJJCIPE-PWSUYJOCSA-N 1 3 198.354 2.247 10 0 AEAEHO CCCCC[C@H](C)N1C[C@@H]([NH3+])[C@H](C)C1 300049604 1169459840 /nfs/dbraw/zinc/45/98/40/1169459840.db2.gz SXFIIXMTZULNHI-GRYCIOLGSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](CC)[NH+]1CCC(C)(N)CC1 309012527 1169552647 /nfs/dbraw/zinc/55/26/47/1169552647.db2.gz SJJHIWKHNACUNF-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@@H](CC)[NH+]1CCC(C)(N)CC1 309012526 1169553192 /nfs/dbraw/zinc/55/31/92/1169553192.db2.gz SJJHIWKHNACUNF-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CNCCC[NH+]1CCCCCCCC1 322287948 1169555237 /nfs/dbraw/zinc/55/52/37/1169555237.db2.gz WRTKKRWSEAQBHP-UHFFFAOYSA-N 1 3 198.354 2.252 10 0 AEAEHO CCNCC[NH+]1CCCCCCCC1 321919384 1169557033 /nfs/dbraw/zinc/55/70/33/1169557033.db2.gz ASQUKRPJZPQBOR-UHFFFAOYSA-N 1 3 198.354 2.252 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1CCC[C@@H](N)CC1 378680900 1169562037 /nfs/dbraw/zinc/56/20/37/1169562037.db2.gz WAXTYZUHDIPVHI-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](C)C[N@H+]1CCC[C@@H](N)CC1 378680900 1169562045 /nfs/dbraw/zinc/56/20/45/1169562045.db2.gz WAXTYZUHDIPVHI-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCCC[N@@H+]1CCC[C@H](N)CC1 378666635 1169562211 /nfs/dbraw/zinc/56/22/11/1169562211.db2.gz GUVCIXSVMPLAHV-LBPRGKRZSA-N 1 3 198.354 2.380 10 0 AEAEHO CCCCCC[N@H+]1CCC[C@H](N)CC1 378666635 1169562217 /nfs/dbraw/zinc/56/22/17/1169562217.db2.gz GUVCIXSVMPLAHV-LBPRGKRZSA-N 1 3 198.354 2.380 10 0 AEAEHO CCCCCC[N@@H+]1CCC[C@@H](N)CC1 378666634 1169562237 /nfs/dbraw/zinc/56/22/37/1169562237.db2.gz GUVCIXSVMPLAHV-GFCCVEGCSA-N 1 3 198.354 2.380 10 0 AEAEHO CCCCCC[N@H+]1CCC[C@@H](N)CC1 378666634 1169562243 /nfs/dbraw/zinc/56/22/43/1169562243.db2.gz GUVCIXSVMPLAHV-GFCCVEGCSA-N 1 3 198.354 2.380 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1CCC[C@H](N)CC1 378680901 1169562306 /nfs/dbraw/zinc/56/23/06/1169562306.db2.gz WAXTYZUHDIPVHI-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](C)C[N@H+]1CCC[C@H](N)CC1 378680901 1169562319 /nfs/dbraw/zinc/56/23/19/1169562319.db2.gz WAXTYZUHDIPVHI-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)C[N@@H+]1CCC[C@H](N)CC1 378680899 1169562607 /nfs/dbraw/zinc/56/26/07/1169562607.db2.gz WAXTYZUHDIPVHI-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)C[N@H+]1CCC[C@H](N)CC1 378680899 1169562615 /nfs/dbraw/zinc/56/26/15/1169562615.db2.gz WAXTYZUHDIPVHI-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)C[N@@H+]1CCC[C@@H](N)CC1 378680902 1169562986 /nfs/dbraw/zinc/56/29/86/1169562986.db2.gz WAXTYZUHDIPVHI-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)C[N@H+]1CCC[C@@H](N)CC1 378680902 1169562990 /nfs/dbraw/zinc/56/29/90/1169562990.db2.gz WAXTYZUHDIPVHI-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCC[N@H+]1CCCC[C@@H](CN)C1 379587140 1169589648 /nfs/dbraw/zinc/58/96/48/1169589648.db2.gz RYXHRLGGBQMIOC-LBPRGKRZSA-N 1 3 198.354 2.237 10 0 AEAEHO CCCCC[C@H](C)N1CC[C@@H]([NH3+])[C@H]1C 379501207 1169585766 /nfs/dbraw/zinc/58/57/66/1169585766.db2.gz JIVBOSOXEJJNQO-QJPTWQEYSA-N 1 3 198.354 2.377 10 0 AEAEHO CC(C)CC[C@H](C)N1CC[C@@H]([NH3+])[C@H]1C 379542766 1169587034 /nfs/dbraw/zinc/58/70/34/1169587034.db2.gz RSMGGDJQAJMODD-QJPTWQEYSA-N 1 3 198.354 2.233 10 0 AEAEHO CCCCC[N@@H+]1CCCC[C@@H](CN)C1 379587140 1169589643 /nfs/dbraw/zinc/58/96/43/1169589643.db2.gz RYXHRLGGBQMIOC-LBPRGKRZSA-N 1 3 198.354 2.237 10 0 AEAEHO CCCCC[N@@H+]1CCCC[C@H](CN)C1 379587137 1169590678 /nfs/dbraw/zinc/59/06/78/1169590678.db2.gz RYXHRLGGBQMIOC-GFCCVEGCSA-N 1 3 198.354 2.237 10 0 AEAEHO CCCCC[N@H+]1CCCC[C@H](CN)C1 379587137 1169590682 /nfs/dbraw/zinc/59/06/82/1169590682.db2.gz RYXHRLGGBQMIOC-GFCCVEGCSA-N 1 3 198.354 2.237 10 0 AEAEHO CCC(CC)[N@H+]1CCCC[C@@H](CN)C1 379612870 1169592631 /nfs/dbraw/zinc/59/26/31/1169592631.db2.gz WDUQXHFRSODIEC-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)[N@@H+]1CCCC[C@@H](CN)C1 379612870 1169592620 /nfs/dbraw/zinc/59/26/20/1169592620.db2.gz WDUQXHFRSODIEC-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)[N@@H+]1CCCC[C@H](CN)C1 379612869 1169593399 /nfs/dbraw/zinc/59/33/99/1169593399.db2.gz WDUQXHFRSODIEC-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)[N@H+]1CCCC[C@H](CN)C1 379612869 1169593402 /nfs/dbraw/zinc/59/34/02/1169593402.db2.gz WDUQXHFRSODIEC-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)CCC[N@@H+]1CCC[C@@H](N)CC1 382335914 1169601421 /nfs/dbraw/zinc/60/14/21/1169601421.db2.gz YDDGJZGSZLINAK-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)CCC[N@H+]1CCC[C@@H](N)CC1 382335914 1169601425 /nfs/dbraw/zinc/60/14/25/1169601425.db2.gz YDDGJZGSZLINAK-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)CCC[N@@H+]1CCC[C@H](N)CC1 382335915 1169602390 /nfs/dbraw/zinc/60/23/90/1169602390.db2.gz YDDGJZGSZLINAK-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)CCC[N@H+]1CCC[C@H](N)CC1 382335915 1169602393 /nfs/dbraw/zinc/60/23/93/1169602393.db2.gz YDDGJZGSZLINAK-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](C)[N@@H+]1CCCC[C@H](CN)C1 389216794 1169635987 /nfs/dbraw/zinc/63/59/87/1169635987.db2.gz KUZLXTDDMZYOIT-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](C)[N@H+]1CCCC[C@H](CN)C1 389216794 1169635989 /nfs/dbraw/zinc/63/59/89/1169635989.db2.gz KUZLXTDDMZYOIT-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)CC[N@@H+]1CCCC[C@@H](CN)C1 389231593 1169636181 /nfs/dbraw/zinc/63/61/81/1169636181.db2.gz UCEAVGOMHVBFDZ-LBPRGKRZSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)CC[N@H+]1CCCC[C@@H](CN)C1 389231593 1169636185 /nfs/dbraw/zinc/63/61/85/1169636185.db2.gz UCEAVGOMHVBFDZ-LBPRGKRZSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)CC[N@@H+]1CCCC[C@H](CN)C1 389231591 1169637197 /nfs/dbraw/zinc/63/71/97/1169637197.db2.gz UCEAVGOMHVBFDZ-GFCCVEGCSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)CC[N@H+]1CCCC[C@H](CN)C1 389231591 1169637204 /nfs/dbraw/zinc/63/72/04/1169637204.db2.gz UCEAVGOMHVBFDZ-GFCCVEGCSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@H](C)[N@@H+]1CCCC[C@@H](CN)C1 389216796 1169637364 /nfs/dbraw/zinc/63/73/64/1169637364.db2.gz KUZLXTDDMZYOIT-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](C)[N@H+]1CCCC[C@@H](CN)C1 389216796 1169637367 /nfs/dbraw/zinc/63/73/67/1169637367.db2.gz KUZLXTDDMZYOIT-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)[N@@H+]1CCCC[C@H](CN)C1 389216797 1169637438 /nfs/dbraw/zinc/63/74/38/1169637438.db2.gz KUZLXTDDMZYOIT-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)[N@H+]1CCCC[C@H](CN)C1 389216797 1169637440 /nfs/dbraw/zinc/63/74/40/1169637440.db2.gz KUZLXTDDMZYOIT-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)[N@@H+]1CCCC[C@@H](CN)C1 389216793 1169637466 /nfs/dbraw/zinc/63/74/66/1169637466.db2.gz KUZLXTDDMZYOIT-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)[N@H+]1CCCC[C@@H](CN)C1 389216793 1169637469 /nfs/dbraw/zinc/63/74/69/1169637469.db2.gz KUZLXTDDMZYOIT-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC 394651165 1169649026 /nfs/dbraw/zinc/64/90/26/1169649026.db2.gz ZBPLWODPRINCFY-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[C@H](C)[N@H+]1CCC[C@@H]1CNC 394651165 1169649030 /nfs/dbraw/zinc/64/90/30/1169649030.db2.gz ZBPLWODPRINCFY-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC 394651170 1169649120 /nfs/dbraw/zinc/64/91/20/1169649120.db2.gz ZBPLWODPRINCFY-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC 394651170 1169649126 /nfs/dbraw/zinc/64/91/26/1169649126.db2.gz ZBPLWODPRINCFY-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[C@H](C)N1CCCC[C@@H]1C[NH3+] 394631515 1169649732 /nfs/dbraw/zinc/64/97/32/1169649732.db2.gz QGYWBSSBSIBZTO-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCC[C@@H](C)N1CCCC[C@@H]1C[NH3+] 394631517 1169650060 /nfs/dbraw/zinc/65/00/60/1169650060.db2.gz QGYWBSSBSIBZTO-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCC[C@H](C)N1CCCC[C@H]1C[NH3+] 394631516 1169650159 /nfs/dbraw/zinc/65/01/59/1169650159.db2.gz QGYWBSSBSIBZTO-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCC[C@@H](C)N1CCCC[C@H]1C[NH3+] 394631514 1169650605 /nfs/dbraw/zinc/65/06/05/1169650605.db2.gz QGYWBSSBSIBZTO-NEPJUHHUSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCCCCN[C@H]1CC[C@H](C)[NH2+]C1 399010743 1169670557 /nfs/dbraw/zinc/67/05/57/1169670557.db2.gz ARLVXKYDZMNNNM-RYUDHWBXSA-N 1 3 198.354 2.297 10 0 AEAEHO CCCCCCN[C@H]1CC[C@@H](C)[NH2+]C1 399010740 1169671586 /nfs/dbraw/zinc/67/15/86/1169671586.db2.gz ARLVXKYDZMNNNM-NEPJUHHUSA-N 1 3 198.354 2.297 10 0 AEAEHO CCCCCCN[C@@H]1CC[C@@H](C)[NH2+]C1 399010744 1169671877 /nfs/dbraw/zinc/67/18/77/1169671877.db2.gz ARLVXKYDZMNNNM-VXGBXAGGSA-N 1 3 198.354 2.297 10 0 AEAEHO CCCCCCN[C@@H]1CC[C@H](C)[NH2+]C1 399010742 1169672168 /nfs/dbraw/zinc/67/21/68/1169672168.db2.gz ARLVXKYDZMNNNM-NWDGAFQWSA-N 1 3 198.354 2.297 10 0 AEAEHO CCC[C@H](CC)[N@@H+]1C[C@H](C)[C@H](CN)C1 708863523 1169721894 /nfs/dbraw/zinc/72/18/94/1169721894.db2.gz WAONQYWVFOCTAT-TUAOUCFPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](CC)[N@H+]1C[C@H](C)[C@H](CN)C1 708863523 1169721900 /nfs/dbraw/zinc/72/19/00/1169721900.db2.gz WAONQYWVFOCTAT-TUAOUCFPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCC[C@H](C)[N@@H+]1C[C@H](C)[C@H](CN)C1 708823441 1169723421 /nfs/dbraw/zinc/72/34/21/1169723421.db2.gz VBYCKWKPRAGMNL-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCC[C@H](C)[N@H+]1C[C@H](C)[C@H](CN)C1 708823441 1169723428 /nfs/dbraw/zinc/72/34/28/1169723428.db2.gz VBYCKWKPRAGMNL-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[C@@H](C)N1C[C@@H]([NH3+])[C@H](C)C1 723466768 1169768932 /nfs/dbraw/zinc/76/89/32/1169768932.db2.gz WWIQDNWMFPGAME-IJLUTSLNSA-N 1 3 198.354 2.090 10 0 AEAEHO CCCCC[C@@H](C)N1C[C@@H]([NH3+])[C@H](C)C1 723466496 1169769839 /nfs/dbraw/zinc/76/98/39/1169769839.db2.gz SXFIIXMTZULNHI-IJLUTSLNSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](CC)[N@H+](C)C[C@H](C)CN 1257251002 1169981677 /nfs/dbraw/zinc/98/16/77/1169981677.db2.gz ZSGMNVZDTHOVAB-MNOVXSKESA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@H](CC)[N@@H+](C)C[C@H](C)CN 1257251002 1169981683 /nfs/dbraw/zinc/98/16/83/1169981683.db2.gz ZSGMNVZDTHOVAB-MNOVXSKESA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@@H](CC)[N@H+](C)C[C@H](C)CN 1257251001 1169981939 /nfs/dbraw/zinc/98/19/39/1169981939.db2.gz ZSGMNVZDTHOVAB-GHMZBOCLSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@@H](CC)[N@@H+](C)C[C@H](C)CN 1257251001 1169981943 /nfs/dbraw/zinc/98/19/43/1169981943.db2.gz ZSGMNVZDTHOVAB-GHMZBOCLSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@@H](CC)[N@H+](C)C[C@@H](C)CN 1257251004 1169982000 /nfs/dbraw/zinc/98/20/00/1169982000.db2.gz ZSGMNVZDTHOVAB-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@@H](CC)[N@@H+](C)C[C@@H](C)CN 1257251004 1169982004 /nfs/dbraw/zinc/98/20/04/1169982004.db2.gz ZSGMNVZDTHOVAB-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@H](CC)[N@H+](C)C[C@@H](C)CN 1257251003 1169983462 /nfs/dbraw/zinc/98/34/62/1169983462.db2.gz ZSGMNVZDTHOVAB-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@H](CC)[N@@H+](C)C[C@@H](C)CN 1257251003 1169983468 /nfs/dbraw/zinc/98/34/68/1169983468.db2.gz ZSGMNVZDTHOVAB-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[N@H+](CCCN)[C@H](C)CC1CC1 1258447054 1170066131 /nfs/dbraw/zinc/06/61/31/1170066131.db2.gz JADJINUHSJWENH-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+](CCCN)[C@H](C)CC1CC1 1258447054 1170066139 /nfs/dbraw/zinc/06/61/39/1170066139.db2.gz JADJINUHSJWENH-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)[N@H+](CCCN)[C@H](C)CC1CC1 1258448271 1170066929 /nfs/dbraw/zinc/06/69/29/1170066929.db2.gz HBXCYUGPEQHCBC-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@@H+](CCCN)[C@H](C)CC1CC1 1258448271 1170066940 /nfs/dbraw/zinc/06/69/40/1170066940.db2.gz HBXCYUGPEQHCBC-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@H+](CCCN)[C@@H](C)CC1CC1 1258447055 1170067119 /nfs/dbraw/zinc/06/71/19/1170067119.db2.gz JADJINUHSJWENH-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+](CCCN)[C@@H](C)CC1CC1 1258447055 1170067123 /nfs/dbraw/zinc/06/71/23/1170067123.db2.gz JADJINUHSJWENH-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)[N@H+](CCCN)[C@@H](C)CC1CC1 1258448272 1170068255 /nfs/dbraw/zinc/06/82/55/1170068255.db2.gz HBXCYUGPEQHCBC-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@@H+](CCCN)[C@@H](C)CC1CC1 1258448272 1170068266 /nfs/dbraw/zinc/06/82/66/1170068266.db2.gz HBXCYUGPEQHCBC-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CN[C@H](C)CC[N@@H+]1CCC[C@@H](C)[C@H]1C 50564560 571674364 /nfs/dbraw/zinc/67/43/64/571674364.db2.gz DUSJWGWGFGIIMH-IJLUTSLNSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)CC[C@H](C)[N@@H+]1CC[C@H](CN)C1 50245378 571672879 /nfs/dbraw/zinc/67/28/79/571672879.db2.gz JNMCVECOCJOJIZ-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[C@H](C)[N@H+]1CC[C@H](CN)C1 50245378 571672881 /nfs/dbraw/zinc/67/28/81/571672881.db2.gz JNMCVECOCJOJIZ-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CN[C@H](C)CC[N@@H+]1CCC[C@H](C)[C@H]1C 50564561 571673789 /nfs/dbraw/zinc/67/37/89/571673789.db2.gz DUSJWGWGFGIIMH-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H](C)CC[N@H+]1CCC[C@H](C)[C@H]1C 50564561 571673791 /nfs/dbraw/zinc/67/37/91/571673791.db2.gz DUSJWGWGFGIIMH-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)CC[C@@H](C)[N@@H+]1CC[C@H](CN)C1 50245377 571674297 /nfs/dbraw/zinc/67/42/97/571674297.db2.gz JNMCVECOCJOJIZ-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[C@@H](C)[N@H+]1CC[C@H](CN)C1 50245377 571674299 /nfs/dbraw/zinc/67/42/99/571674299.db2.gz JNMCVECOCJOJIZ-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CN[C@H](C)CC[N@H+]1CCC[C@@H](C)[C@H]1C 50564560 571674367 /nfs/dbraw/zinc/67/43/67/571674367.db2.gz DUSJWGWGFGIIMH-IJLUTSLNSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@@H](CC)[N@@H+]1CC[C@H](CNC)C1 53034699 571676762 /nfs/dbraw/zinc/67/67/62/571676762.db2.gz QJDHWCXUGFCNNM-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](CC)[N@H+]1CC[C@H](CNC)C1 53034699 571676765 /nfs/dbraw/zinc/67/67/65/571676765.db2.gz QJDHWCXUGFCNNM-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](C)[N@@H+]1CC[C@H](CNCC)C1 53011686 571677061 /nfs/dbraw/zinc/67/70/61/571677061.db2.gz SGXFELHLQPKJSC-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](C)[N@H+]1CC[C@H](CNCC)C1 53011686 571677064 /nfs/dbraw/zinc/67/70/64/571677064.db2.gz SGXFELHLQPKJSC-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](C)N1CC[C@H](C[NH2+]CC)C1 53011686 571677066 /nfs/dbraw/zinc/67/70/66/571677066.db2.gz SGXFELHLQPKJSC-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[C@@H](C)[N@@H+]1CC[C@H](CNC)C1 53034788 571677986 /nfs/dbraw/zinc/67/79/86/571677986.db2.gz VEXUDHZSJVLIOZ-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[C@@H](C)[N@H+]1CC[C@H](CNC)C1 53034788 571677988 /nfs/dbraw/zinc/67/79/88/571677988.db2.gz VEXUDHZSJVLIOZ-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](CC)[N@@H+]1CC[C@H](CNC)C1 53034701 571678235 /nfs/dbraw/zinc/67/82/35/571678235.db2.gz QJDHWCXUGFCNNM-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](CC)[N@H+]1CC[C@H](CNC)C1 53034701 571678236 /nfs/dbraw/zinc/67/82/36/571678236.db2.gz QJDHWCXUGFCNNM-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[C@H](C)[N@@H+]1CC[C@H](CNC)C1 53034789 571678388 /nfs/dbraw/zinc/67/83/88/571678388.db2.gz VEXUDHZSJVLIOZ-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[C@H](C)[N@H+]1CC[C@H](CNC)C1 53034789 571678390 /nfs/dbraw/zinc/67/83/90/571678390.db2.gz VEXUDHZSJVLIOZ-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](C)[N@@H+]1CC[C@H](CNCC)C1 53011688 571678869 /nfs/dbraw/zinc/67/88/69/571678869.db2.gz SGXFELHLQPKJSC-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](C)[N@H+]1CC[C@H](CNCC)C1 53011688 571678872 /nfs/dbraw/zinc/67/88/72/571678872.db2.gz SGXFELHLQPKJSC-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](C)N1CC[C@H](C[NH2+]CC)C1 53011688 571678874 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198.354 2.249 10 0 AEAEHO CCC[N@H+]1CCCC[C@H]1C[C@H](C)NC 250046799 571702839 /nfs/dbraw/zinc/70/28/39/571702839.db2.gz VJYJYXBQJVUCKC-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+]1CCCC[C@@H]1C[C@H](C)NC 250046792 571703861 /nfs/dbraw/zinc/70/38/61/571703861.db2.gz VJYJYXBQJVUCKC-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@H+]1CCCC[C@@H]1C[C@H](C)NC 250046792 571703862 /nfs/dbraw/zinc/70/38/62/571703862.db2.gz VJYJYXBQJVUCKC-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H]1CCCCC[N@@H+]1CC[C@@H](C)N 108310273 571707463 /nfs/dbraw/zinc/70/74/63/571707463.db2.gz OILWQHNLUFASDW-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H]1CCCCC[N@H+]1CC[C@@H](C)N 108310273 571707466 /nfs/dbraw/zinc/70/74/66/571707466.db2.gz OILWQHNLUFASDW-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H]1CCCCC[N@@H+]1C[C@@H](C)CN 108310578 571707839 /nfs/dbraw/zinc/70/78/39/571707839.db2.gz YBBLEGHFZVFQMN-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H]1CCCCC[N@H+]1C[C@@H](C)CN 108310578 571707843 /nfs/dbraw/zinc/70/78/43/571707843.db2.gz YBBLEGHFZVFQMN-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H]1CCCCC[N@@H+]1CC[C@@H](C)N 108310275 571708151 /nfs/dbraw/zinc/70/81/51/571708151.db2.gz OILWQHNLUFASDW-NEPJUHHUSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H]1CCCCC[N@H+]1CC[C@@H](C)N 108310275 571708155 /nfs/dbraw/zinc/70/81/55/571708155.db2.gz OILWQHNLUFASDW-NEPJUHHUSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H]1CCCCC[N@@H+]1C[C@@H](C)CN 108310580 571708773 /nfs/dbraw/zinc/70/87/73/571708773.db2.gz YBBLEGHFZVFQMN-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H]1CCCCC[N@H+]1C[C@@H](C)CN 108310580 571708777 /nfs/dbraw/zinc/70/87/77/571708777.db2.gz YBBLEGHFZVFQMN-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CN[C@@H](C)CC[N@@H+]1[C@@H](C)CCC[C@H]1C 134167781 571718352 /nfs/dbraw/zinc/71/83/52/571718352.db2.gz MQTNBBASISDRDG-SDDRHHMPSA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@@H](C)CC[N@H+]1[C@@H](C)CCC[C@H]1C 134167781 571718355 /nfs/dbraw/zinc/71/83/55/571718355.db2.gz MQTNBBASISDRDG-SDDRHHMPSA-N 1 3 198.354 2.247 10 0 AEAEHO C[C@@H]1CC(C)(C)C[C@@H]1[N@H+](C)CCCN 235280068 571719410 /nfs/dbraw/zinc/71/94/10/571719410.db2.gz XNJCJPNDEOADFZ-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]1CC(C)(C)C[C@@H]1[N@@H+](C)CCCN 235280068 571719411 /nfs/dbraw/zinc/71/94/11/571719411.db2.gz XNJCJPNDEOADFZ-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@]1(CNC(C)C)CC[NH2+]C1 214127746 571719428 /nfs/dbraw/zinc/71/94/28/571719428.db2.gz HXXLAKFGGGPQSO-GFCCVEGCSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)C[C@@]1(CNC(C)C)CC[NH2+]C1 214127807 571719718 /nfs/dbraw/zinc/71/97/18/571719718.db2.gz HXXLAKFGGGPQSO-LBPRGKRZSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)[NH2+]C[C@]1(C(C)C)CCCNC1 214127657 571719890 /nfs/dbraw/zinc/71/98/90/571719890.db2.gz ZYBBAUQTPQIOMI-LBPRGKRZSA-N 1 3 198.354 2.010 10 0 AEAEHO CNC(C)(C)C[C@H]1CCCCC[N@@H+]1C 214125643 571719910 /nfs/dbraw/zinc/71/99/10/571719910.db2.gz XNKSMUUMAYUBNK-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CNC(C)(C)C[C@H]1CCCCC[N@H+]1C 214125643 571719912 /nfs/dbraw/zinc/71/99/12/571719912.db2.gz XNKSMUUMAYUBNK-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO C[NH2+]C(C)(C)C[C@H]1CCCCCN1C 214125643 571719914 /nfs/dbraw/zinc/71/99/14/571719914.db2.gz XNKSMUUMAYUBNK-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CNC(C)(C)C[C@@H]1CCCCC[N@@H+]1C 214125587 571720735 /nfs/dbraw/zinc/72/07/35/571720735.db2.gz XNKSMUUMAYUBNK-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CNC(C)(C)C[C@@H]1CCCCC[N@H+]1C 214125587 571720740 /nfs/dbraw/zinc/72/07/40/571720740.db2.gz XNKSMUUMAYUBNK-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO C[NH2+]C(C)(C)C[C@@H]1CCCCCN1C 214125587 571720741 /nfs/dbraw/zinc/72/07/41/571720741.db2.gz XNKSMUUMAYUBNK-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)[NH2+]C[C@@]1(C(C)C)CCCNC1 214127602 571720775 /nfs/dbraw/zinc/72/07/75/571720775.db2.gz ZYBBAUQTPQIOMI-GFCCVEGCSA-N 1 3 198.354 2.010 10 0 AEAEHO CC[NH+](CC)C[C@@]1(N)CCC[C@H](C)C1 70905080 571738696 /nfs/dbraw/zinc/73/86/96/571738696.db2.gz MIJIZLFDMYTCBX-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH+](CC)C[C@@]1(N)CCC[C@@H](C)C1 70905091 571739465 /nfs/dbraw/zinc/73/94/65/571739465.db2.gz MIJIZLFDMYTCBX-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](CNC)[C@@H]1CCCCC[N@@H+]1C 214264971 571739556 /nfs/dbraw/zinc/73/95/56/571739556.db2.gz XIJSETFZOSZSLT-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](CNC)[C@@H]1CCCCC[N@H+]1C 214264971 571739559 /nfs/dbraw/zinc/73/95/59/571739559.db2.gz XIJSETFZOSZSLT-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@H+](C)C[C@@]1(N)CCC[C@H](C)C1 70905451 571739926 /nfs/dbraw/zinc/73/99/26/571739926.db2.gz UDHCYKAKQJRLTJ-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+](C)C[C@@]1(N)CCC[C@H](C)C1 70905451 571739929 /nfs/dbraw/zinc/73/99/29/571739929.db2.gz UDHCYKAKQJRLTJ-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH+](CC)C[C@]1(N)CCC[C@@H](C)C1 70905089 571740007 /nfs/dbraw/zinc/74/00/07/571740007.db2.gz MIJIZLFDMYTCBX-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@H+](C)C[C@]1(N)CCC[C@H](C)C1 70905448 571740229 /nfs/dbraw/zinc/74/02/29/571740229.db2.gz UDHCYKAKQJRLTJ-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+](C)C[C@]1(N)CCC[C@H](C)C1 70905448 571740233 /nfs/dbraw/zinc/74/02/33/571740233.db2.gz UDHCYKAKQJRLTJ-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH+](CC)C[C@]1(N)CCC[C@H](C)C1 70905076 571740402 /nfs/dbraw/zinc/74/04/02/571740402.db2.gz MIJIZLFDMYTCBX-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](CNC)[C@@H]1CCCCC[N@@H+]1C 214265037 571741209 /nfs/dbraw/zinc/74/12/09/571741209.db2.gz XIJSETFZOSZSLT-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](CNC)[C@@H]1CCCCC[N@H+]1C 214265037 571741211 /nfs/dbraw/zinc/74/12/11/571741211.db2.gz XIJSETFZOSZSLT-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)[C@H](CN)[C@H]1CCCCC[N@@H+]1C 214265409 571741336 /nfs/dbraw/zinc/74/13/36/571741336.db2.gz IDLWZSHLCGNOLE-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@H](CN)[C@H]1CCCCC[N@H+]1C 214265409 571741338 /nfs/dbraw/zinc/74/13/38/571741338.db2.gz IDLWZSHLCGNOLE-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@@H](CN)[C@H]1CCCCC[N@@H+]1C 214265349 571741654 /nfs/dbraw/zinc/74/16/54/571741654.db2.gz IDLWZSHLCGNOLE-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@@H](CN)[C@H]1CCCCC[N@H+]1C 214265349 571741657 /nfs/dbraw/zinc/74/16/57/571741657.db2.gz IDLWZSHLCGNOLE-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](CNC)[C@H]1CCCCC[N@@H+]1C 214265094 571742230 /nfs/dbraw/zinc/74/22/30/571742230.db2.gz XIJSETFZOSZSLT-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](CNC)[C@H]1CCCCC[N@H+]1C 214265094 571742233 /nfs/dbraw/zinc/74/22/33/571742233.db2.gz XIJSETFZOSZSLT-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](CNC)[C@H]1CCCCC[N@@H+]1C 214265154 571742813 /nfs/dbraw/zinc/74/28/13/571742813.db2.gz XIJSETFZOSZSLT-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](CNC)[C@H]1CCCCC[N@H+]1C 214265154 571742815 /nfs/dbraw/zinc/74/28/15/571742815.db2.gz XIJSETFZOSZSLT-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)[C@@H](CN)[C@@H]1CCCCC[N@@H+]1C 214265235 571742988 /nfs/dbraw/zinc/74/29/88/571742988.db2.gz IDLWZSHLCGNOLE-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@@H](CN)[C@@H]1CCCCC[N@H+]1C 214265235 571742991 /nfs/dbraw/zinc/74/29/91/571742991.db2.gz IDLWZSHLCGNOLE-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[NH2+]C1CCN(CC(C)C)CC1 37241651 571755081 /nfs/dbraw/zinc/75/50/81/571755081.db2.gz OCNRBKXVAJWPJI-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)[C@@H](CNC(C)(C)C)[NH2+]C1CC1 70797067 571755276 /nfs/dbraw/zinc/75/52/76/571755276.db2.gz QPDHUZLFZZKBIT-LLVKDONJSA-N 1 3 198.354 2.151 10 0 AEAEHO CC(C)[C@H](CNC(C)(C)C)[NH2+]C1CC1 70797069 571756099 /nfs/dbraw/zinc/75/60/99/571756099.db2.gz QPDHUZLFZZKBIT-NSHDSACASA-N 1 3 198.354 2.151 10 0 AEAEHO CC[C@@H]([NH3+])CCNC1(C2(C)CC2)CC1 398242801 571761287 /nfs/dbraw/zinc/76/12/87/571761287.db2.gz YQQXJNGJQOTCQX-SNVBAGLBSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@@H](N)CC[NH2+]C1(C2(C)CC2)CC1 398242801 571761290 /nfs/dbraw/zinc/76/12/90/571761290.db2.gz YQQXJNGJQOTCQX-SNVBAGLBSA-N 1 3 196.338 2.036 10 0 AEAEHO CCN[C@@H]1CC[N@@H+](C2(CC)CCC2)C1 229500837 571765865 /nfs/dbraw/zinc/76/58/65/571765865.db2.gz CJSVIPROLCYWGM-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCN[C@@H]1CC[N@H+](C2(CC)CCC2)C1 229500837 571765867 /nfs/dbraw/zinc/76/58/67/571765867.db2.gz CJSVIPROLCYWGM-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC1(NCC[C@@H]2CCC[NH2+]2)CCC1 229504188 571767157 /nfs/dbraw/zinc/76/71/57/571767157.db2.gz LDOUBUSUBXGATD-NSHDSACASA-N 1 3 196.338 2.051 10 0 AEAEHO CCC[NH2+][C@@H]1CCCC[C@H]1CN(C)C 26443067 571767755 /nfs/dbraw/zinc/76/77/55/571767755.db2.gz JMBMIRGQVVFLSG-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@@H]1CCC[NH2+][C@@H]1CNCC(C)(C)C 235324262 571768991 /nfs/dbraw/zinc/76/89/91/571768991.db2.gz HPKZAAWEBYZBIL-GHMZBOCLSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[NH2+][C@@H]1CCCC[C@@H]1CN(C)C 26443062 571769306 /nfs/dbraw/zinc/76/93/06/571769306.db2.gz JMBMIRGQVVFLSG-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CNCCC[NH2+]CC1(C)CCCCC1 234352780 571773641 /nfs/dbraw/zinc/77/36/41/571773641.db2.gz WVMCKWBALPGFSS-UHFFFAOYSA-N 1 3 198.354 2.156 10 0 AEAEHO C[NH2+][C@@H](C)CNCC1(C)CCCCC1 234431515 571774593 /nfs/dbraw/zinc/77/45/93/571774593.db2.gz XCWSVWAADRGRBN-NSHDSACASA-N 1 3 198.354 2.154 10 0 AEAEHO CC[C@@H]1CCN[C@H]([C@](C)([NH3+])C(C)C)C1 687800317 571777386 /nfs/dbraw/zinc/77/73/86/571777386.db2.gz HNRMQPINQORFAB-GRYCIOLGSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@@H]1CC[NH2+][C@H]([C@@](C)(N)C(C)C)C1 687800320 571776873 /nfs/dbraw/zinc/77/68/73/571776873.db2.gz HNRMQPINQORFAB-WOPDTQHZSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@@H]1CCN[C@H]([C@@](C)([NH3+])C(C)C)C1 687800320 571776877 /nfs/dbraw/zinc/77/68/77/571776877.db2.gz HNRMQPINQORFAB-WOPDTQHZSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@@H]1CC[NH2+][C@@H]([C@](C)(N)C(C)C)C1 687800318 571777108 /nfs/dbraw/zinc/77/71/08/571777108.db2.gz HNRMQPINQORFAB-IJLUTSLNSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@@H]1CCN[C@@H]([C@](C)([NH3+])C(C)C)C1 687800318 571777109 /nfs/dbraw/zinc/77/71/09/571777109.db2.gz HNRMQPINQORFAB-IJLUTSLNSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@@H]1CC[NH2+][C@H]([C@](C)(N)C(C)C)C1 687800317 571777380 /nfs/dbraw/zinc/77/73/80/571777380.db2.gz HNRMQPINQORFAB-GRYCIOLGSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@@H]1CC[NH2+][C@@H]([C@@](C)(N)C(C)C)C1 687800319 571778265 /nfs/dbraw/zinc/77/82/65/571778265.db2.gz HNRMQPINQORFAB-UTUOFQBUSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@@H]1CCN[C@@H]([C@@](C)([NH3+])C(C)C)C1 687800319 571778266 /nfs/dbraw/zinc/77/82/66/571778266.db2.gz HNRMQPINQORFAB-UTUOFQBUSA-N 1 3 198.354 2.138 10 0 AEAEHO C[NH2+][C@@H](C)CN[C@@H]1CCC[C@@H](C)CC1 234436689 571779584 /nfs/dbraw/zinc/77/95/84/571779584.db2.gz CUOFRJBRFKHUGB-GRYCIOLGSA-N 1 3 198.354 2.153 10 0 AEAEHO CNCCC[NH2+][C@@H]1CCC[C@H](C)CC1 234356691 571780760 /nfs/dbraw/zinc/78/07/60/571780760.db2.gz DHSGGBMCPZIUAW-NWDGAFQWSA-N 1 3 198.354 2.154 10 0 AEAEHO CNCCC[NH2+][C@@H]1CCC[C@@H](C)CC1 234356680 571780969 /nfs/dbraw/zinc/78/09/69/571780969.db2.gz DHSGGBMCPZIUAW-VXGBXAGGSA-N 1 3 198.354 2.154 10 0 AEAEHO CCCC[N@@H+](C)C[C@@H](N)[C@@H](C)CC 39141122 571782113 /nfs/dbraw/zinc/78/21/13/571782113.db2.gz WYKHQXPKPNFSML-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[N@H+](C)C[C@@H](N)[C@@H](C)CC 39141122 571782106 /nfs/dbraw/zinc/78/21/06/571782106.db2.gz WYKHQXPKPNFSML-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CNCCC[NH2+][C@H]1CCC[C@@H](C)CC1 234356827 571782923 /nfs/dbraw/zinc/78/29/23/571782923.db2.gz DHSGGBMCPZIUAW-NEPJUHHUSA-N 1 3 198.354 2.154 10 0 AEAEHO CNCCC[NH2+][C@H]1CCC[C@H](C)CC1 234356839 571782975 /nfs/dbraw/zinc/78/29/75/571782975.db2.gz DHSGGBMCPZIUAW-RYUDHWBXSA-N 1 3 198.354 2.154 10 0 AEAEHO C[NH2+]C[C@@H](C)NCC1(C)CCCCC1 234362156 571788759 /nfs/dbraw/zinc/78/87/59/571788759.db2.gz NCNVBJULMGPVBM-LLVKDONJSA-N 1 3 198.354 2.154 10 0 AEAEHO CCCCCN1CC[C@H]([NH2+]C)C[C@H]1C 249857673 571792052 /nfs/dbraw/zinc/79/20/52/571792052.db2.gz UTHVGPIGXWBNFG-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[N@@H+]1CC[C@H](NC)C[C@H]1C 249857673 571792055 /nfs/dbraw/zinc/79/20/55/571792055.db2.gz UTHVGPIGXWBNFG-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[N@H+]1CC[C@H](NC)C[C@H]1C 249857673 571792057 /nfs/dbraw/zinc/79/20/57/571792057.db2.gz UTHVGPIGXWBNFG-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[N@H+](CC(C)C)C[C@@H]1CCC[C@H]1N 249842505 571792621 /nfs/dbraw/zinc/79/26/21/571792621.db2.gz UCBJSEKYLDMTHI-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](CC(C)C)C[C@@H]1CCC[C@H]1N 249842505 571792624 /nfs/dbraw/zinc/79/26/24/571792624.db2.gz UCBJSEKYLDMTHI-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@H+](C[C@H]1CCCC[C@H]1N)C(C)C 249810101 571792640 /nfs/dbraw/zinc/79/26/40/571792640.db2.gz GNHPDFYLMCWHEP-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[N@@H+](C[C@H]1CCCC[C@H]1N)C(C)C 249810101 571792644 /nfs/dbraw/zinc/79/26/44/571792644.db2.gz GNHPDFYLMCWHEP-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@H+](C[C@@H]1CCC[C@H]1N)C(C)C 249949488 571793047 /nfs/dbraw/zinc/79/30/47/571793047.db2.gz ICMHRDNMUDSSCO-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@@H+](C[C@@H]1CCC[C@H]1N)C(C)C 249949488 571793050 /nfs/dbraw/zinc/79/30/50/571793050.db2.gz ICMHRDNMUDSSCO-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCC[N@H+](CC)C[C@H]1CCC[C@H]1N 249809005 571793287 /nfs/dbraw/zinc/79/32/87/571793287.db2.gz PHATWLHTWVPTBJ-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@@H+](CC)C[C@H]1CCC[C@H]1N 249809005 571793289 /nfs/dbraw/zinc/79/32/89/571793289.db2.gz PHATWLHTWVPTBJ-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@H+](CC)C[C@@H]1CCC[C@H]1N 249809002 571793832 /nfs/dbraw/zinc/79/38/32/571793832.db2.gz PHATWLHTWVPTBJ-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@@H+](CC)C[C@@H]1CCC[C@H]1N 249809002 571793837 /nfs/dbraw/zinc/79/38/37/571793837.db2.gz PHATWLHTWVPTBJ-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[N@H+](C[C@@H]1CCC[C@H]1NC)C(C)C 249847552 571793887 /nfs/dbraw/zinc/79/38/87/571793887.db2.gz WJLFQADUAOHWJK-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@@H+](C[C@@H]1CCC[C@H]1NC)C(C)C 249847552 571793891 /nfs/dbraw/zinc/79/38/91/571793891.db2.gz WJLFQADUAOHWJK-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN(C[C@@H]1CCC[C@H]1[NH2+]C)C(C)C 249847552 571793895 /nfs/dbraw/zinc/79/38/95/571793895.db2.gz WJLFQADUAOHWJK-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+]CC[C@@H](C)N1CCC[C@H]1C 249678869 571794146 /nfs/dbraw/zinc/79/41/46/571794146.db2.gz PPIZZBKRVOZPFH-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCNCC[C@@H](C)[N@@H+]1CCC[C@H]1C 249678869 571794148 /nfs/dbraw/zinc/79/41/48/571794148.db2.gz PPIZZBKRVOZPFH-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCNCC[C@@H](C)[N@H+]1CCC[C@H]1C 249678869 571794152 /nfs/dbraw/zinc/79/41/52/571794152.db2.gz PPIZZBKRVOZPFH-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[N@H+](C[C@@H]1CCCC[C@H]1N)C(C)C 249810093 571794328 /nfs/dbraw/zinc/79/43/28/571794328.db2.gz GNHPDFYLMCWHEP-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[N@@H+](C[C@@H]1CCCC[C@H]1N)C(C)C 249810093 571794331 /nfs/dbraw/zinc/79/43/31/571794331.db2.gz GNHPDFYLMCWHEP-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[NH+](CC)C[C@@H]1C[C@H](C)CC[C@H]1N 249965443 571794475 /nfs/dbraw/zinc/79/44/75/571794475.db2.gz NNLAHAAHQBACNP-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(CC)C[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 249965443 571794479 /nfs/dbraw/zinc/79/44/79/571794479.db2.gz NNLAHAAHQBACNP-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCCN(CC)[C@H]1CCCC[C@H]1[NH3+] 249803971 571794679 /nfs/dbraw/zinc/79/46/79/571794679.db2.gz NYGUHSREIUEWGY-NEPJUHHUSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[NH2+]C[C@@H]1CCN([C@H](C)CC)C1 249673463 571794781 /nfs/dbraw/zinc/79/47/81/571794781.db2.gz AXADVIOQNAXBEB-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCCN1CC[C@@H]([NH2+]C)C[C@H]1C 249857679 571794855 /nfs/dbraw/zinc/79/48/55/571794855.db2.gz UTHVGPIGXWBNFG-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[N@@H+]1CC[C@@H](NC)C[C@H]1C 249857679 571794857 /nfs/dbraw/zinc/79/48/57/571794857.db2.gz UTHVGPIGXWBNFG-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[N@H+]1CC[C@@H](NC)C[C@H]1C 249857679 571794859 /nfs/dbraw/zinc/79/48/59/571794859.db2.gz UTHVGPIGXWBNFG-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@H+](CC)C[C@H]1CCCC[C@H]1N 249963826 571794973 /nfs/dbraw/zinc/79/49/73/571794973.db2.gz JWNVLFSWGZWXNB-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+](CC)C[C@H]1CCCC[C@H]1N 249963826 571794974 /nfs/dbraw/zinc/79/49/74/571794974.db2.gz JWNVLFSWGZWXNB-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCC[N@H+](C)C[C@@H]1CCC[C@H]1N 249862435 571794994 /nfs/dbraw/zinc/79/49/94/571794994.db2.gz WPXGIYWKLWHPDL-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCC[N@@H+](C)C[C@@H]1CCC[C@H]1N 249862435 571794995 /nfs/dbraw/zinc/79/49/95/571794995.db2.gz WPXGIYWKLWHPDL-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCCN(C)C[C@@H]1CCC[C@H]1[NH3+] 249862435 571794997 /nfs/dbraw/zinc/79/49/97/571794997.db2.gz WPXGIYWKLWHPDL-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@H+](CC)C[C@H]1CCC[C@H]1NC 249869697 571795017 /nfs/dbraw/zinc/79/50/17/571795017.db2.gz CGVZWNQLXZRJHS-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@@H+](CC)C[C@H]1CCC[C@H]1NC 249869697 571795020 /nfs/dbraw/zinc/79/50/20/571795020.db2.gz CGVZWNQLXZRJHS-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCN(CC)C[C@H]1CCC[C@H]1[NH2+]C 249869697 571795023 /nfs/dbraw/zinc/79/50/23/571795023.db2.gz CGVZWNQLXZRJHS-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCN(CC)[C@@H]1CCCC[C@H]1[NH3+] 249803974 571795298 /nfs/dbraw/zinc/79/52/98/571795298.db2.gz NYGUHSREIUEWGY-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[NH2+]C[C@H]1CCN([C@H](C)CC)C1 249673465 571795478 /nfs/dbraw/zinc/79/54/78/571795478.db2.gz AXADVIOQNAXBEB-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@H+](C[C@H]1CCC[C@H]1N)C(C)C 249949492 571795880 /nfs/dbraw/zinc/79/58/80/571795880.db2.gz ICMHRDNMUDSSCO-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@@H+](C[C@H]1CCC[C@H]1N)C(C)C 249949492 571795882 /nfs/dbraw/zinc/79/58/82/571795882.db2.gz ICMHRDNMUDSSCO-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[NH+](CC)C[C@@H]1C[C@@H](C)CC[C@H]1N 249965449 571795993 /nfs/dbraw/zinc/79/59/93/571795993.db2.gz NNLAHAAHQBACNP-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(CC)C[C@@H]1C[C@@H](C)CC[C@H]1[NH3+] 249965449 571795998 /nfs/dbraw/zinc/79/59/98/571795998.db2.gz NNLAHAAHQBACNP-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCCN(C)C[C@H]1CCC[C@H]1[NH2+]C 249795056 571796038 /nfs/dbraw/zinc/79/60/38/571796038.db2.gz LJJNGKSNBUCLLR-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@H+](C)C[C@H]1CCC[C@H]1N 249862436 571796064 /nfs/dbraw/zinc/79/60/64/571796064.db2.gz WPXGIYWKLWHPDL-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCC[N@@H+](C)C[C@H]1CCC[C@H]1N 249862436 571796068 /nfs/dbraw/zinc/79/60/68/571796068.db2.gz WPXGIYWKLWHPDL-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCCN(C)C[C@H]1CCC[C@H]1[NH3+] 249862436 571796070 /nfs/dbraw/zinc/79/60/70/571796070.db2.gz WPXGIYWKLWHPDL-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[N@H+](CC(C)C)C[C@H]1CCC[C@H]1N 249842506 571796300 /nfs/dbraw/zinc/79/63/00/571796300.db2.gz UCBJSEKYLDMTHI-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](CC(C)C)C[C@H]1CCC[C@H]1N 249842506 571796305 /nfs/dbraw/zinc/79/63/05/571796305.db2.gz UCBJSEKYLDMTHI-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[NH2+]C[C@@H](C)CN1CCCC[C@H]1C 250669707 571796819 /nfs/dbraw/zinc/79/68/19/571796819.db2.gz SGKPSFXFWZCHEV-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[N@H+](C[C@H]1CCC[C@H]1NC)C(C)C 249847553 571796834 /nfs/dbraw/zinc/79/68/34/571796834.db2.gz WJLFQADUAOHWJK-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@@H+](C[C@H]1CCC[C@H]1NC)C(C)C 249847553 571796835 /nfs/dbraw/zinc/79/68/35/571796835.db2.gz WJLFQADUAOHWJK-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN(C[C@H]1CCC[C@H]1[NH2+]C)C(C)C 249847553 571796838 /nfs/dbraw/zinc/79/68/38/571796838.db2.gz WJLFQADUAOHWJK-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCC[N@@H+]1C[C@@H](CN)CC[C@H]1C 249797837 571797229 /nfs/dbraw/zinc/79/72/29/571797229.db2.gz MFXZESSHPBONFC-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCC[N@H+]1C[C@@H](CN)CC[C@H]1C 249797837 571797231 /nfs/dbraw/zinc/79/72/31/571797231.db2.gz MFXZESSHPBONFC-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH2+]C[C@H](C)CN1CCCC[C@H]1C 250669705 571797249 /nfs/dbraw/zinc/79/72/49/571797249.db2.gz SGKPSFXFWZCHEV-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@H+](CC)C[C@@H]1CCCC[C@H]1N 249963820 571797321 /nfs/dbraw/zinc/79/73/21/571797321.db2.gz JWNVLFSWGZWXNB-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+](CC)C[C@@H]1CCCC[C@H]1N 249963820 571797323 /nfs/dbraw/zinc/79/73/23/571797323.db2.gz JWNVLFSWGZWXNB-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO C[N@H+](C[C@@H]1CCC[C@H]1N)CC(C)(C)C 250681256 571797994 /nfs/dbraw/zinc/79/79/94/571797994.db2.gz DTHSWDFBLNKDGP-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO C[N@@H+](C[C@@H]1CCC[C@H]1N)CC(C)(C)C 250681256 571797995 /nfs/dbraw/zinc/79/79/95/571797995.db2.gz DTHSWDFBLNKDGP-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[N@H+](C)C[C@@H]1CCC[C@H]1N 250589878 571798025 /nfs/dbraw/zinc/79/80/25/571798025.db2.gz JZJPAQFDVMBWGQ-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[N@@H+](C)C[C@@H]1CCC[C@H]1N 250589878 571798027 /nfs/dbraw/zinc/79/80/27/571798027.db2.gz JZJPAQFDVMBWGQ-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CCN(C)C[C@@H]1CCC[C@H]1[NH3+] 250589878 571798031 /nfs/dbraw/zinc/79/80/31/571798031.db2.gz JZJPAQFDVMBWGQ-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](CC)[N@@H+]1CC[C@H](N)C[C@H]1C 251097298 571798320 /nfs/dbraw/zinc/79/83/20/571798320.db2.gz CPAYSUNVKYHLQF-WOPDTQHZSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC[C@H](CC)[N@H+]1CC[C@H](N)C[C@H]1C 251097298 571798321 /nfs/dbraw/zinc/79/83/21/571798321.db2.gz CPAYSUNVKYHLQF-WOPDTQHZSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[C@H]1C[N@H+](CC=C(C)C)CCCN1 234191905 571798429 /nfs/dbraw/zinc/79/84/29/571798429.db2.gz BKFBCYUSXRBZOZ-LBPRGKRZSA-N 1 3 196.338 2.027 10 0 AEAEHO CC[C@H]1C[N@@H+](CC=C(C)C)CCCN1 234191905 571798431 /nfs/dbraw/zinc/79/84/31/571798431.db2.gz BKFBCYUSXRBZOZ-LBPRGKRZSA-N 1 3 196.338 2.027 10 0 AEAEHO CC(C)C[N@H+](C)[C@H]1CCCC[C@H]1CN 250544073 571798536 /nfs/dbraw/zinc/79/85/36/571798536.db2.gz CUKKYGPMSCTJHK-RYUDHWBXSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[N@@H+](C)[C@H]1CCCC[C@H]1CN 250544073 571798538 /nfs/dbraw/zinc/79/85/38/571798538.db2.gz CUKKYGPMSCTJHK-RYUDHWBXSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@@H](C[N@@H+]1CCC[C@H]1CC)NC 251099463 571798727 /nfs/dbraw/zinc/79/87/27/571798727.db2.gz DDKPELBZFWLOIW-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@@H](C[N@H+]1CCC[C@H]1CC)NC 251099463 571798729 /nfs/dbraw/zinc/79/87/29/571798729.db2.gz DDKPELBZFWLOIW-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)C[N@H+](C)C[C@@H]1CCCC[C@H]1N 250591291 571798739 /nfs/dbraw/zinc/79/87/39/571798739.db2.gz KWMCKKHFODQBMI-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[N@@H+](C)C[C@@H]1CCCC[C@H]1N 250591291 571798741 /nfs/dbraw/zinc/79/87/41/571798741.db2.gz KWMCKKHFODQBMI-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[NH2+][C@@H]1CCN(C(C)C)C[C@H]1C 250772437 571799048 /nfs/dbraw/zinc/79/90/48/571799048.db2.gz HJWQUFFEFYIFIK-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)C[N@H+](C)C[C@H]1CCCC[C@H]1N 250591294 571799645 /nfs/dbraw/zinc/79/96/45/571799645.db2.gz KWMCKKHFODQBMI-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[N@@H+](C)C[C@H]1CCCC[C@H]1N 250591294 571799647 /nfs/dbraw/zinc/79/96/47/571799647.db2.gz KWMCKKHFODQBMI-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[NH2+][C@H]1CCN(C(C)C)C[C@H]1C 250772435 571799741 /nfs/dbraw/zinc/79/97/41/571799741.db2.gz HJWQUFFEFYIFIK-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO C[N@H+](CC(C)(C)C)[C@@H]1CCC[C@H]1CN 250707518 571800474 /nfs/dbraw/zinc/80/04/74/571800474.db2.gz QNZYYVIRHRLLFG-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO C[N@@H+](CC(C)(C)C)[C@@H]1CCC[C@H]1CN 250707518 571800475 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73654217 571805686 /nfs/dbraw/zinc/80/56/86/571805686.db2.gz VCOBNEWZLNBBJA-VXGBXAGGSA-N 1 3 198.354 2.059 10 0 AEAEHO CCCC[C@H](C)[N@@H+]1CC[C@H](N)[C@@H](C)C1 251260277 571809434 /nfs/dbraw/zinc/80/94/34/571809434.db2.gz BVFZNABECZYVRM-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCC[C@H](C)[N@H+]1CC[C@H](N)[C@@H](C)C1 251260277 571809436 /nfs/dbraw/zinc/80/94/36/571809436.db2.gz BVFZNABECZYVRM-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCC[C@H](C)N1CC[C@H]([NH3+])[C@@H](C)C1 251260277 571809438 /nfs/dbraw/zinc/80/94/38/571809438.db2.gz BVFZNABECZYVRM-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)C[C@H]([NH3+])C(C)(C)N1CCCC1 74236715 571805938 /nfs/dbraw/zinc/80/59/38/571805938.db2.gz CGTMYZTYWBAVFP-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)C[C@@H]([NH3+])C(C)(C)N1CCCC1 74236716 571806127 /nfs/dbraw/zinc/80/61/27/571806127.db2.gz CGTMYZTYWBAVFP-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCC[N@@H+]1CC[C@H](N(C)C)[C@H](C)C1 73654214 571806506 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196.338 2.001 10 0 AEAEHO CC(C)CN1CC[C@H]([NH+](C)C)C[C@@H]1C 73656382 571807663 /nfs/dbraw/zinc/80/76/63/571807663.db2.gz ATOCDUWIRQHKJB-RYUDHWBXSA-N 1 3 198.354 2.057 10 0 AEAEHO CCCCN1CC[C@H]([NH+](C)C)C[C@@H]1C 73656128 571807942 /nfs/dbraw/zinc/80/79/42/571807942.db2.gz VURIISBOLQBVAB-RYUDHWBXSA-N 1 3 198.354 2.201 10 0 AEAEHO CC(C)CN1CC[C@@H]([NH+](C)C)C[C@H]1C 73656372 571808050 /nfs/dbraw/zinc/80/80/50/571808050.db2.gz ATOCDUWIRQHKJB-VXGBXAGGSA-N 1 3 198.354 2.057 10 0 AEAEHO CCCCN1CC[C@@H]([NH+](C)C)C[C@@H]1C 73656130 571808184 /nfs/dbraw/zinc/80/81/84/571808184.db2.gz VURIISBOLQBVAB-NWDGAFQWSA-N 1 3 198.354 2.201 10 0 AEAEHO CCC[N@@H+]1CC[C@H](NC2CC2)C[C@@H]1C 73655910 571808634 /nfs/dbraw/zinc/80/86/34/571808634.db2.gz IIGIBZRCIARKKG-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC[N@H+]1CC[C@H](NC2CC2)C[C@@H]1C 73655910 571808638 /nfs/dbraw/zinc/80/86/38/571808638.db2.gz IIGIBZRCIARKKG-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)CN1CC[C@@H]([NH+](C)C)C[C@@H]1C 73656377 571808761 /nfs/dbraw/zinc/80/87/61/571808761.db2.gz ATOCDUWIRQHKJB-NWDGAFQWSA-N 1 3 198.354 2.057 10 0 AEAEHO CC(C)CN1CC[C@H]([NH+](C)C)C[C@H]1C 73656379 571808886 /nfs/dbraw/zinc/80/88/86/571808886.db2.gz ATOCDUWIRQHKJB-NEPJUHHUSA-N 1 3 198.354 2.057 10 0 AEAEHO C[C@H](N)CC[N@H+](C)[C@H](C)C(C)(C)C 251231151 571808892 /nfs/dbraw/zinc/80/88/92/571808892.db2.gz QHBMPSCAYFVZOJ-VHSXEESVSA-N 1 3 186.343 2.090 10 0 AEAEHO C[C@H](N)CC[N@@H+](C)[C@H](C)C(C)(C)C 251231151 571808902 /nfs/dbraw/zinc/80/89/02/571808902.db2.gz QHBMPSCAYFVZOJ-VHSXEESVSA-N 1 3 186.343 2.090 10 0 AEAEHO C[C@H]([NH3+])CCN(C)[C@H](C)C(C)(C)C 251231151 571808906 /nfs/dbraw/zinc/80/89/06/571808906.db2.gz QHBMPSCAYFVZOJ-VHSXEESVSA-N 1 3 186.343 2.090 10 0 AEAEHO CCCC[C@H](C)[N@@H+]1CC[C@@H](N)[C@H](C)C1 251260274 571808919 /nfs/dbraw/zinc/80/89/19/571808919.db2.gz BVFZNABECZYVRM-GRYCIOLGSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCC[C@H](C)[N@H+]1CC[C@@H](N)[C@H](C)C1 251260274 571808921 /nfs/dbraw/zinc/80/89/21/571808921.db2.gz 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SVWQCQQAABNTSR-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[NH2+]CC[C@@H](C)N1CCC[C@H]1C 252137384 571831116 /nfs/dbraw/zinc/83/11/16/571831116.db2.gz LRBPTCUFLGVBGG-VXGBXAGGSA-N 1 3 198.354 2.247 10 0 AEAEHO CC(C)[C@H](C)[N@H+](C)[C@H]1CCC[C@@H]1CN 252421301 571831197 /nfs/dbraw/zinc/83/11/97/571831197.db2.gz YZRTWVJZBRGJTK-TUAOUCFPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H]1CN 252421301 571831199 /nfs/dbraw/zinc/83/11/99/571831199.db2.gz YZRTWVJZBRGJTK-TUAOUCFPSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1CN 252416794 571833369 /nfs/dbraw/zinc/83/33/69/571833369.db2.gz SVWQCQQAABNTSR-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(CC)[N@H+](C)[C@@H]1CCC[C@H]1CN 252408189 571831442 /nfs/dbraw/zinc/83/14/42/571831442.db2.gz INPXVYWEPZZFBM-CMPLNLGQSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@@H]1CCC[C@H]1CN 252408189 571831443 /nfs/dbraw/zinc/83/14/43/571831443.db2.gz INPXVYWEPZZFBM-CMPLNLGQSA-N 1 3 198.354 2.234 10 0 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252421297 571833218 /nfs/dbraw/zinc/83/32/18/571833218.db2.gz YZRTWVJZBRGJTK-SDDRHHMPSA-N 1 3 198.354 2.090 10 0 AEAEHO CCCC[C@@H]([NH3+])CN1CCC[C@H]1CC 252414420 571832314 /nfs/dbraw/zinc/83/23/14/571832314.db2.gz HRJLMOJTTCAZBA-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H](CCN)[N@H+](C)[C@H](C)C(C)C 252412283 571832432 /nfs/dbraw/zinc/83/24/32/571832432.db2.gz NVSZWFPPVBASSE-MNOVXSKESA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@@H](CCN)[N@@H+](C)[C@H](C)C(C)C 252412283 571832433 /nfs/dbraw/zinc/83/24/33/571832433.db2.gz NVSZWFPPVBASSE-MNOVXSKESA-N 1 3 186.343 2.090 10 0 AEAEHO CCC[C@@H](C)[N@H+](C)[C@H](CC)CCN 252413453 571832526 /nfs/dbraw/zinc/83/25/26/571832526.db2.gz PIXNJUIHHZIMNP-GHMZBOCLSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@@H](C)[N@@H+](C)[C@H](CC)CCN 252413453 571832529 /nfs/dbraw/zinc/83/25/29/571832529.db2.gz PIXNJUIHHZIMNP-GHMZBOCLSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@H](C)CN(C)CC[C@H]1CCC[NH2+]1 251760062 571832834 /nfs/dbraw/zinc/83/28/34/571832834.db2.gz 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CC(C)[C@@H]([NH3+])C(C)(C)CN1CC[C@H]1C 713058599 571834013 /nfs/dbraw/zinc/83/40/13/571834013.db2.gz AAESOWDFDDHVBV-GHMZBOCLSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@@H](C)CN(C)[C@H](CC)CC(N)=[NH2+] 252436249 571834139 /nfs/dbraw/zinc/83/41/39/571834139.db2.gz NXOJRUWTWFGPQJ-NXEZZACHSA-N 1 3 199.342 2.069 10 0 AEAEHO CC[C@H]1CCCCC[N@@H+]1C[C@H](C)CN 252878025 571834146 /nfs/dbraw/zinc/83/41/46/571834146.db2.gz YBBLEGHFZVFQMN-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H]1CCCCC[N@H+]1C[C@H](C)CN 252878025 571834148 /nfs/dbraw/zinc/83/41/48/571834148.db2.gz YBBLEGHFZVFQMN-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](C)CN(C)[C@@H]1CCCC[C@H]1[NH3+] 252436253 571834161 /nfs/dbraw/zinc/83/41/61/571834161.db2.gz NXYKHRMESYXNIV-QJPTWQEYSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](C)N(CC)CC[C@H]1CCC[NH2+]1 252450995 571834179 /nfs/dbraw/zinc/83/41/79/571834179.db2.gz BNOVHMVWUWEXLQ-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)[C@H]([NH3+])C(C)(C)CN1CC[C@@H]1C 713058609 571834493 /nfs/dbraw/zinc/83/44/93/571834493.db2.gz AAESOWDFDDHVBV-QWRGUYRKSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@@H]1CCCCC[N@@H+]1C[C@H](C)CN 252878026 571834832 /nfs/dbraw/zinc/83/48/32/571834832.db2.gz YBBLEGHFZVFQMN-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H]1CCCCC[N@H+]1C[C@H](C)CN 252878026 571834836 /nfs/dbraw/zinc/83/48/36/571834836.db2.gz YBBLEGHFZVFQMN-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@H+](CC)[C@H]1CCCC[C@H]1CN 252433801 571834844 /nfs/dbraw/zinc/83/48/44/571834844.db2.gz DCFXGHYTFMKXJP-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+](CC)[C@H]1CCCC[C@H]1CN 252433801 571834847 /nfs/dbraw/zinc/83/48/47/571834847.db2.gz DCFXGHYTFMKXJP-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)[C@@H]([NH3+])C(C)(C)CN1CC[C@@H]1C 713058612 571834913 /nfs/dbraw/zinc/83/49/13/571834913.db2.gz AAESOWDFDDHVBV-WDEREUQCSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@H](C)[N@H+](C)[C@H]1CCCC[C@@H]1CN 252437150 571834984 /nfs/dbraw/zinc/83/49/84/571834984.db2.gz UFFOQEGLIHSHSL-TUAOUCFPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@@H+](C)[C@H]1CCCC[C@@H]1CN 252437150 571834986 /nfs/dbraw/zinc/83/49/86/571834986.db2.gz UFFOQEGLIHSHSL-TUAOUCFPSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCCC[N@H+](C)[C@H]1CCC[C@H]1CN 252433509 571834994 /nfs/dbraw/zinc/83/49/94/571834994.db2.gz CJVLGWJQSATFCZ-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCC[N@@H+](C)[C@H]1CCC[C@H]1CN 252433509 571834998 /nfs/dbraw/zinc/83/49/98/571834998.db2.gz CJVLGWJQSATFCZ-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@H+](C)C[C@H]1CCCC[C@H]1N 252458314 571835155 /nfs/dbraw/zinc/83/51/55/571835155.db2.gz ZJNIMUUWDGHCPX-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@@H+](C)C[C@H]1CCCC[C@H]1N 252458314 571835156 /nfs/dbraw/zinc/83/51/56/571835156.db2.gz ZJNIMUUWDGHCPX-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCN(C)C[C@H]1CCCC[C@H]1[NH3+] 252458314 571835160 /nfs/dbraw/zinc/83/51/60/571835160.db2.gz ZJNIMUUWDGHCPX-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCN(CC)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 252435484 571835221 /nfs/dbraw/zinc/83/52/21/571835221.db2.gz KCAQLOMJQZSCJC-IJLUTSLNSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCC[N@H+](CC)[C@@H]1CCC[C@H]1CN 252436739 571835261 /nfs/dbraw/zinc/83/52/61/571835261.db2.gz RCRIEAVOUXEZSD-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@@H+](CC)[C@@H]1CCC[C@H]1CN 252436739 571835264 /nfs/dbraw/zinc/83/52/64/571835264.db2.gz RCRIEAVOUXEZSD-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](C)[N@H+](C)[C@H]1CCCC[C@H]1CN 252437149 571835340 /nfs/dbraw/zinc/83/53/40/571835340.db2.gz UFFOQEGLIHSHSL-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@@H+](C)[C@H]1CCCC[C@H]1CN 252437149 571835345 /nfs/dbraw/zinc/83/53/45/571835345.db2.gz UFFOQEGLIHSHSL-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H]1CCCCC[N@@H+]1CC[C@H](C)N 252861380 571835364 /nfs/dbraw/zinc/83/53/64/571835364.db2.gz OILWQHNLUFASDW-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H]1CCCCC[N@H+]1CC[C@H](C)N 252861380 571835370 /nfs/dbraw/zinc/83/53/70/571835370.db2.gz OILWQHNLUFASDW-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[NH+](CC)[C@@H]1C[C@H](C)CC[C@H]1CN 252434934 571835455 /nfs/dbraw/zinc/83/54/55/571835455.db2.gz HCNVLCGSLSFHHH-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@H+](CC(C)C)[C@@H]1CCC[C@H]1CN 252436972 571835468 /nfs/dbraw/zinc/83/54/68/571835468.db2.gz SNNMRWFNHZHSGQ-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](CC(C)C)[C@@H]1CCC[C@H]1CN 252436972 571835469 /nfs/dbraw/zinc/83/54/69/571835469.db2.gz SNNMRWFNHZHSGQ-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[N@H+](C(C)C)[C@H]1CCC[C@H]1CN 252436571 571835579 /nfs/dbraw/zinc/83/55/79/571835579.db2.gz PVEQBKXYGPZMKM-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@H]1CCC[C@H]1CN 252436571 571835582 /nfs/dbraw/zinc/83/55/82/571835582.db2.gz PVEQBKXYGPZMKM-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)CN(C)[C@H]1CCCC[C@@H]1[NH3+] 252436254 571835686 /nfs/dbraw/zinc/83/56/86/571835686.db2.gz NXYKHRMESYXNIV-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)C[N@H+](C)[C@H](CC)CCN 252436609 571835811 /nfs/dbraw/zinc/83/58/11/571835811.db2.gz QCFFIUXCORYCLJ-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](C)C[N@@H+](C)[C@H](CC)CCN 252436609 571835814 /nfs/dbraw/zinc/83/58/14/571835814.db2.gz QCFFIUXCORYCLJ-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](C)CN(C)[C@H]1CCCC[C@H]1[NH3+] 252436255 571835886 /nfs/dbraw/zinc/83/58/86/571835886.db2.gz NXYKHRMESYXNIV-TUAOUCFPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[N@H+](CC(C)C)[C@H]1CCC[C@H]1CN 252436973 571835919 /nfs/dbraw/zinc/83/59/19/571835919.db2.gz SNNMRWFNHZHSGQ-RYUDHWBXSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](CC(C)C)[C@H]1CCC[C@H]1CN 252436973 571835920 /nfs/dbraw/zinc/83/59/20/571835920.db2.gz SNNMRWFNHZHSGQ-RYUDHWBXSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)[N@H+](CC)[C@@H]1CCC[C@H]1CN 252434480 571836077 /nfs/dbraw/zinc/83/60/77/571836077.db2.gz FUEPOFPNXLFPGH-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)[C@@H]1CCC[C@H]1CN 252434480 571836081 /nfs/dbraw/zinc/83/60/81/571836081.db2.gz FUEPOFPNXLFPGH-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)C[N@H+](C)[C@H]1CCC[C@H]1CN 252434957 571837848 /nfs/dbraw/zinc/83/78/48/571837848.db2.gz HFUVYPBMVNSFGE-SRVKXCTJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[NH+](CC)[C@@H]1C[C@@H](C)CC[C@H]1CN 252434935 571836153 /nfs/dbraw/zinc/83/61/53/571836153.db2.gz HCNVLCGSLSFHHH-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)C[N@@H+](C)[C@H]1CCC[C@H]1CN 252434957 571837850 /nfs/dbraw/zinc/83/78/50/571837850.db2.gz HFUVYPBMVNSFGE-SRVKXCTJSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCC[N@H+](CC)[C@H]1CCC[C@H]1CN 252436740 571836244 /nfs/dbraw/zinc/83/62/44/571836244.db2.gz RCRIEAVOUXEZSD-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@@H+](CC)[C@H]1CCC[C@H]1CN 252436740 571836247 /nfs/dbraw/zinc/83/62/47/571836247.db2.gz RCRIEAVOUXEZSD-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H]1CCCCC[N@@H+]1CC[C@H](C)N 252861381 571836421 /nfs/dbraw/zinc/83/64/21/571836421.db2.gz OILWQHNLUFASDW-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H]1CCCCC[N@H+]1CC[C@H](C)N 252861381 571836425 /nfs/dbraw/zinc/83/64/25/571836425.db2.gz OILWQHNLUFASDW-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCN1CCC[C@@H]([C@H](C)[NH2+]CC)C1 252436119 571836475 /nfs/dbraw/zinc/83/64/75/571836475.db2.gz NGINCFKEWNPMKW-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)N(C)CC[C@H]1CCCC[NH2+]1 252435442 571836554 /nfs/dbraw/zinc/83/65/54/571836554.db2.gz JWGAZIHOPKJHIO-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](C)[N@H+](C)CC[C@H]1CCCCN1 252435442 571836558 /nfs/dbraw/zinc/83/65/58/571836558.db2.gz JWGAZIHOPKJHIO-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](C)[N@@H+](C)CC[C@H]1CCCCN1 252435442 571836561 /nfs/dbraw/zinc/83/65/61/571836561.db2.gz JWGAZIHOPKJHIO-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](C)N(CC)CC[C@H]1CCC[NH2+]1 252450994 571836729 /nfs/dbraw/zinc/83/67/29/571836729.db2.gz BNOVHMVWUWEXLQ-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@H+](C)[C@@H]1C[C@H](C)CC[C@H]1CN 252436690 571836598 /nfs/dbraw/zinc/83/65/98/571836598.db2.gz QQRQZAHNFJTHIB-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@H]1CN 252436690 571836601 /nfs/dbraw/zinc/83/66/01/571836601.db2.gz QQRQZAHNFJTHIB-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](C)C[N@H+](C)[C@H](CC)CCN 252436608 571836614 /nfs/dbraw/zinc/83/66/14/571836614.db2.gz QCFFIUXCORYCLJ-GHMZBOCLSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H](C)C[N@@H+](C)[C@H](CC)CCN 252436608 571836620 /nfs/dbraw/zinc/83/66/20/571836620.db2.gz QCFFIUXCORYCLJ-GHMZBOCLSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](C)[N@H+](CC)[C@H]1CCC[C@@H]1CN 252434482 571837087 /nfs/dbraw/zinc/83/70/87/571837087.db2.gz FUEPOFPNXLFPGH-TUAOUCFPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)[C@H]1CCC[C@@H]1CN 252434482 571837090 /nfs/dbraw/zinc/83/70/90/571837090.db2.gz FUEPOFPNXLFPGH-TUAOUCFPSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCCC[N@H+](C)[C@@H]1CCC[C@H]1CN 252433508 571837149 /nfs/dbraw/zinc/83/71/49/571837149.db2.gz CJVLGWJQSATFCZ-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCC[N@@H+](C)[C@@H]1CCC[C@H]1CN 252433508 571837153 /nfs/dbraw/zinc/83/71/53/571837153.db2.gz CJVLGWJQSATFCZ-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](CCN)[N@@H+]1CCCC[C@H]1CC 252433300 571837174 /nfs/dbraw/zinc/83/71/74/571837174.db2.gz BWGVBMVDDOQEIQ-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](CCN)[N@H+]1CCCC[C@H]1CC 252433300 571837176 /nfs/dbraw/zinc/83/71/76/571837176.db2.gz BWGVBMVDDOQEIQ-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](C)C[N@H+](C)[C@H]1CCC[C@@H]1CN 252434958 571837384 /nfs/dbraw/zinc/83/73/84/571837384.db2.gz HFUVYPBMVNSFGE-TUAOUCFPSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)C[N@@H+](C)[C@H]1CCC[C@@H]1CN 252434958 571837386 /nfs/dbraw/zinc/83/73/86/571837386.db2.gz HFUVYPBMVNSFGE-TUAOUCFPSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)C[N@H+](C)[C@@H]1CCC[C@H]1CN 252434956 571837392 /nfs/dbraw/zinc/83/73/92/571837392.db2.gz HFUVYPBMVNSFGE-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)C[N@@H+](C)[C@@H]1CCC[C@H]1CN 252434956 571837395 /nfs/dbraw/zinc/83/73/95/571837395.db2.gz HFUVYPBMVNSFGE-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](C)N(C)CC[C@H]1CCCC[NH2+]1 252435443 571837401 /nfs/dbraw/zinc/83/74/01/571837401.db2.gz JWGAZIHOPKJHIO-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)[N@H+](C)CC[C@H]1CCCCN1 252435443 571837404 /nfs/dbraw/zinc/83/74/04/571837404.db2.gz JWGAZIHOPKJHIO-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)[N@@H+](C)CC[C@H]1CCCCN1 252435443 571837405 /nfs/dbraw/zinc/83/74/05/571837405.db2.gz JWGAZIHOPKJHIO-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@H+](C(C)C)[C@@H]1CCC[C@H]1CN 252436570 571837462 /nfs/dbraw/zinc/83/74/62/571837462.db2.gz PVEQBKXYGPZMKM-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@@H]1CCC[C@H]1CN 252436570 571837464 /nfs/dbraw/zinc/83/74/64/571837464.db2.gz PVEQBKXYGPZMKM-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@H+](CC)[C@@H]1CCCC[C@H]1CN 252433800 571837951 /nfs/dbraw/zinc/83/79/51/571837951.db2.gz DCFXGHYTFMKXJP-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+](CC)[C@@H]1CCCC[C@H]1CN 252433800 571837952 /nfs/dbraw/zinc/83/79/52/571837952.db2.gz DCFXGHYTFMKXJP-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](C)[N@H+](CC)[C@H](CC)CCN 252438035 571838124 /nfs/dbraw/zinc/83/81/24/571838124.db2.gz ZAFSRMBYNOMLGY-GHMZBOCLSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@@H](C)[N@@H+](CC)[C@H](CC)CCN 252438035 571838138 /nfs/dbraw/zinc/83/81/38/571838138.db2.gz ZAFSRMBYNOMLGY-GHMZBOCLSA-N 1 3 186.343 2.234 10 0 AEAEHO CCCC[N@H+](C)C[C@@H]1CCCC[C@H]1N 252458313 571838240 /nfs/dbraw/zinc/83/82/40/571838240.db2.gz ZJNIMUUWDGHCPX-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@@H+](C)C[C@@H]1CCCC[C@H]1N 252458313 571838244 /nfs/dbraw/zinc/83/82/44/571838244.db2.gz ZJNIMUUWDGHCPX-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCN(C)C[C@@H]1CCCC[C@H]1[NH3+] 252458313 571838262 /nfs/dbraw/zinc/83/82/62/571838262.db2.gz ZJNIMUUWDGHCPX-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](C)[N@H+](CC)[C@H]1CCC[C@H]1CN 252434481 571838443 /nfs/dbraw/zinc/83/84/43/571838443.db2.gz FUEPOFPNXLFPGH-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)[C@H]1CCC[C@H]1CN 252434481 571838446 /nfs/dbraw/zinc/83/84/46/571838446.db2.gz FUEPOFPNXLFPGH-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCN(CC)[C@@H]1C[C@@H](C)CC[C@H]1[NH3+] 252435485 571838472 /nfs/dbraw/zinc/83/84/72/571838472.db2.gz KCAQLOMJQZSCJC-QJPTWQEYSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@H+](CC)[C@H](CC)CCN 252438036 571838536 /nfs/dbraw/zinc/83/85/36/571838536.db2.gz ZAFSRMBYNOMLGY-WDEREUQCSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)[C@H](CC)CCN 252438036 571838538 /nfs/dbraw/zinc/83/85/38/571838538.db2.gz ZAFSRMBYNOMLGY-WDEREUQCSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[N@H+](C)[C@@H]1C[C@@H](C)CC[C@H]1CN 252436691 571838565 /nfs/dbraw/zinc/83/85/65/571838565.db2.gz QQRQZAHNFJTHIB-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[N@@H+](C)[C@@H]1C[C@@H](C)CC[C@H]1CN 252436691 571838568 /nfs/dbraw/zinc/83/85/68/571838568.db2.gz QQRQZAHNFJTHIB-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO C[NH2+][C@H](C)CN[C@H]1CCC[C@@H](C)CC1 234441314 571857644 /nfs/dbraw/zinc/85/76/44/571857644.db2.gz CUOFRJBRFKHUGB-UTUOFQBUSA-N 1 3 198.354 2.153 10 0 AEAEHO C[NH2+][C@H](C)CN[C@@H]1CCC[C@@H](C)CC1 234441120 571858944 /nfs/dbraw/zinc/85/89/44/571858944.db2.gz CUOFRJBRFKHUGB-IJLUTSLNSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC(C)(C)C[N@H+](CCCN)C1CC1 713127041 571864113 /nfs/dbraw/zinc/86/41/13/571864113.db2.gz DUFRZDJPAFUIEF-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(C)(C)C[N@@H+](CCCN)C1CC1 713127041 571864115 /nfs/dbraw/zinc/86/41/15/571864115.db2.gz DUFRZDJPAFUIEF-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(C)(C)CN(CCC[NH3+])C1CC1 713127041 571864117 /nfs/dbraw/zinc/86/41/17/571864117.db2.gz DUFRZDJPAFUIEF-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO NCCC1([NH+]2CCCC2)CCCCC1 39039300 571872149 /nfs/dbraw/zinc/87/21/49/571872149.db2.gz XFAULWUIQOZTED-UHFFFAOYSA-N 1 3 196.338 2.134 10 0 AEAEHO C[C@@H]1CCC[C@@H](C[C@@H]2CCCCN2)[NH2+]1 6488336 571871824 /nfs/dbraw/zinc/87/18/24/571871824.db2.gz NLQUGMVIBNHBEL-WOPDTQHZSA-N 1 3 196.338 2.049 10 0 AEAEHO C[C@@H]1CCC[C@@H](C[C@@H]2CCCC[NH2+]2)N1 6488336 571871828 /nfs/dbraw/zinc/87/18/28/571871828.db2.gz NLQUGMVIBNHBEL-WOPDTQHZSA-N 1 3 196.338 2.049 10 0 AEAEHO C[C@@H]1CCC[C@H](C[C@@H]2CCCCN2)[NH2+]1 6488323 571872045 /nfs/dbraw/zinc/87/20/45/571872045.db2.gz NLQUGMVIBNHBEL-GRYCIOLGSA-N 1 3 196.338 2.049 10 0 AEAEHO C[C@@H]1CCC[C@H](C[C@@H]2CCCC[NH2+]2)N1 6488323 571872050 /nfs/dbraw/zinc/87/20/50/571872050.db2.gz NLQUGMVIBNHBEL-GRYCIOLGSA-N 1 3 196.338 2.049 10 0 AEAEHO CC(C)(C)C[C@H]([NH3+])CN[C@H]1CC1(C)C 401216141 571883824 /nfs/dbraw/zinc/88/38/24/571883824.db2.gz CHABBCGRYKNTQP-UWVGGRQHSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)(C)C[C@H]([NH3+])CN[C@@H]1CC1(C)C 401216142 571885944 /nfs/dbraw/zinc/88/59/44/571885944.db2.gz CHABBCGRYKNTQP-VHSXEESVSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)CC[C@H](C)N1C[C@H](C)[C@@H]([NH3+])C1 300050066 571887058 /nfs/dbraw/zinc/88/70/58/571887058.db2.gz WWIQDNWMFPGAME-SRVKXCTJSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)CC[C@H](C)N1C[C@@H]([NH3+])[C@H](C)C1 300050064 571886933 /nfs/dbraw/zinc/88/69/33/571886933.db2.gz WWIQDNWMFPGAME-GRYCIOLGSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)CC[C@H](C)N1C[C@H](C)[C@H]([NH3+])C1 300050065 571887500 /nfs/dbraw/zinc/88/75/00/571887500.db2.gz WWIQDNWMFPGAME-SDDRHHMPSA-N 1 3 198.354 2.090 10 0 AEAEHO CCCCC[C@H](C)N1C[C@H](C)[C@@H]([NH3+])C1 300049606 571890172 /nfs/dbraw/zinc/89/01/72/571890172.db2.gz SXFIIXMTZULNHI-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCCC[C@H](C)N1C[C@H](C)[C@H]([NH3+])C1 300049605 571890750 /nfs/dbraw/zinc/89/07/50/571890750.db2.gz SXFIIXMTZULNHI-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)C[C@H](C)[NH2+]C[C@H]1CCCN1 300061664 571896587 /nfs/dbraw/zinc/89/65/87/571896587.db2.gz JYEQVTUZUWESRK-SDDRHHMPSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@H](C)C[C@@H](C)[NH2+]C[C@H]1CCCN1 300061663 571898877 /nfs/dbraw/zinc/89/88/77/571898877.db2.gz JYEQVTUZUWESRK-QJPTWQEYSA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@H](CCN)[NH2+]CC1(C)CCCCC1 235440003 571904451 /nfs/dbraw/zinc/90/44/51/571904451.db2.gz ZUUMADIECNFCBZ-LLVKDONJSA-N 1 3 198.354 2.284 10 0 AEAEHO CCC(C)(C)C[C@H](N)[C@H]1CCC[N@@H+]1C 713128535 571905991 /nfs/dbraw/zinc/90/59/91/571905991.db2.gz FPVXNPIRPXDURA-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(C)C[C@H](N)[C@H]1CCC[N@H+]1C 713128535 571905993 /nfs/dbraw/zinc/90/59/93/571905993.db2.gz FPVXNPIRPXDURA-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)C[C@H](C)[N@H+](C)[C@@H](C)C1(C)CC1 385518017 571907028 /nfs/dbraw/zinc/90/70/28/571907028.db2.gz STLQMWUOTUPDHW-DCAQKATOSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H](N)C[C@H](C)[N@@H+](C)[C@@H](C)C1(C)CC1 385518017 571907032 /nfs/dbraw/zinc/90/70/32/571907032.db2.gz STLQMWUOTUPDHW-DCAQKATOSA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)(C)[C@@H]([NH3+])[C@H](N)C1CCCCC1 39185698 571907746 /nfs/dbraw/zinc/90/77/46/571907746.db2.gz LYLCDBCBPDIXMH-MNOVXSKESA-N 1 3 198.354 2.267 10 0 AEAEHO CC(C)=CCNC[C@@H](C)[NH+]1CCCC1 235447693 571908135 /nfs/dbraw/zinc/90/81/35/571908135.db2.gz LBSRCQJPXOQFDJ-GFCCVEGCSA-N 1 3 196.338 2.027 10 0 AEAEHO C[C@H](CN)C[NH2+]CC1(C)CCCCC1 235461768 571915294 /nfs/dbraw/zinc/91/52/94/571915294.db2.gz YHRDHUHDVXAJGR-LLVKDONJSA-N 1 3 198.354 2.141 10 0 AEAEHO CCC[C@H](C)[NH2+][C@@H]1CC[C@H](N(C)C)C1 131769071 571917052 /nfs/dbraw/zinc/91/70/52/571917052.db2.gz BXMSAXPYDSYKAL-TUAOUCFPSA-N 1 3 198.354 2.247 10 0 AEAEHO C[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CN)CC1 235462451 571917821 /nfs/dbraw/zinc/91/78/21/571917821.db2.gz OZJHTYZCQNPBBR-IJLUTSLNSA-N 1 3 198.354 2.140 10 0 AEAEHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H](C)CC1 235488829 571918345 /nfs/dbraw/zinc/91/83/45/571918345.db2.gz VQQQPGQVVCVCRM-GRYCIOLGSA-N 1 3 198.354 2.282 10 0 AEAEHO CC(C)=CCN[C@H](C)C[NH+]1CCCC1 235466512 571918414 /nfs/dbraw/zinc/91/84/14/571918414.db2.gz GQNBAUUVHMOQRI-GFCCVEGCSA-N 1 3 196.338 2.027 10 0 AEAEHO C[C@H](N)CC[NH2+]CC1(C)CCCCC1 235487613 571918880 /nfs/dbraw/zinc/91/88/80/571918880.db2.gz QKZWLWSJHQIMEW-NSHDSACASA-N 1 3 198.354 2.284 10 0 AEAEHO C[C@H](N)CC[NH2+][C@H]1CCC[C@@H](C)CC1 235488926 571919846 /nfs/dbraw/zinc/91/98/46/571919846.db2.gz VQQQPGQVVCVCRM-WOPDTQHZSA-N 1 3 198.354 2.282 10 0 AEAEHO CC(C)[C@@H]([NH3+])CCN(C)CCC1CC1 227734976 571923169 /nfs/dbraw/zinc/92/31/69/571923169.db2.gz ZYQZIAQWKYYYKR-LBPRGKRZSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H]1CCCC[N@@H+]1CCCNC 212860889 571925639 /nfs/dbraw/zinc/92/56/39/571925639.db2.gz SBRGGDWZGQVTNO-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[C@H]1CCCC[N@H+]1CCCNC 212860889 571925641 /nfs/dbraw/zinc/92/56/41/571925641.db2.gz SBRGGDWZGQVTNO-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[C@@H]1CCCC[N@@H+]1CCCNC 212860823 571926938 /nfs/dbraw/zinc/92/69/38/571926938.db2.gz SBRGGDWZGQVTNO-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[C@@H]1CCCC[N@H+]1CCCNC 212860823 571926942 /nfs/dbraw/zinc/92/69/42/571926942.db2.gz SBRGGDWZGQVTNO-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CN(C)CC[C@@H]([NH3+])CCC1CCCC1 300797422 571932171 /nfs/dbraw/zinc/93/21/71/571932171.db2.gz UYAGRPMQBSYOEP-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](C)[N@H+](C)C[C@@]1(C)CCCNC1 219752658 571934386 /nfs/dbraw/zinc/93/43/86/571934386.db2.gz OFWPMDMSQADUTP-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)[N@@H+](C)C[C@@]1(C)CCCNC1 219752658 571934394 /nfs/dbraw/zinc/93/43/94/571934394.db2.gz OFWPMDMSQADUTP-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)N(C)C[C@@]1(C)CCC[NH2+]C1 219752658 571934399 /nfs/dbraw/zinc/93/43/99/571934399.db2.gz OFWPMDMSQADUTP-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCCN1CC[C@@H]([NH2+]C)[C@@H](C)C1 219758674 571934625 /nfs/dbraw/zinc/93/46/25/571934625.db2.gz RXQVKSCCDRXXTM-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+][C@H]1CCN([C@@H](C)CC)C[C@@H]1C 219769625 571938854 /nfs/dbraw/zinc/93/88/54/571938854.db2.gz SQFKWHCJUJIUDH-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@H+](CCCN)CCC1CCCC1 300808049 571942925 /nfs/dbraw/zinc/94/29/25/571942925.db2.gz WVHLKDFBRLZSBN-UHFFFAOYSA-N 1 3 198.354 2.237 10 0 AEAEHO CC[N@@H+](CCCN)CCC1CCCC1 300808049 571942927 /nfs/dbraw/zinc/94/29/27/571942927.db2.gz WVHLKDFBRLZSBN-UHFFFAOYSA-N 1 3 198.354 2.237 10 0 AEAEHO CCN(CCC[NH3+])CCC1CCCC1 300808049 571942929 /nfs/dbraw/zinc/94/29/29/571942929.db2.gz WVHLKDFBRLZSBN-UHFFFAOYSA-N 1 3 198.354 2.237 10 0 AEAEHO C[C@@H]1CCC[C@](N)([C@H]2CCCC[NH2+]2)C1 687686038 571943656 /nfs/dbraw/zinc/94/36/56/571943656.db2.gz FUWXYVXTHMHXQP-IJLUTSLNSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@@H]1CCC[C@]([NH3+])([C@H]2CCCCN2)C1 687686038 571943658 /nfs/dbraw/zinc/94/36/58/571943658.db2.gz FUWXYVXTHMHXQP-IJLUTSLNSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@@H]1CCC[C@@](N)([C@@H]2CCCC[NH2+]2)C1 687686042 571943698 /nfs/dbraw/zinc/94/36/98/571943698.db2.gz FUWXYVXTHMHXQP-WOPDTQHZSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@@H]1CCC[C@@]([NH3+])([C@@H]2CCCCN2)C1 687686042 571943701 /nfs/dbraw/zinc/94/37/01/571943701.db2.gz FUWXYVXTHMHXQP-WOPDTQHZSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@H](CCN)[NH2+]CCCC(C)(C)C 300806041 571943897 /nfs/dbraw/zinc/94/38/97/571943897.db2.gz FEYFMDZYVZWYFB-SNVBAGLBSA-N 1 3 186.343 2.140 10 0 AEAEHO CCN[C@H](C)C1([NH3+])CCC(CC)CC1 687686770 571946538 /nfs/dbraw/zinc/94/65/38/571946538.db2.gz UWZZHRXCGPWVIH-VOMCLLRMSA-N 1 3 198.354 2.282 10 0 AEAEHO C[C@@H]1CCC[C@](N)([C@@H]2CCCC[NH2+]2)C1 687686037 571945034 /nfs/dbraw/zinc/94/50/34/571945034.db2.gz FUWXYVXTHMHXQP-GRYCIOLGSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@@H]1CCC[C@]([NH3+])([C@@H]2CCCCN2)C1 687686037 571945038 /nfs/dbraw/zinc/94/50/38/571945038.db2.gz FUWXYVXTHMHXQP-GRYCIOLGSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@@H](C)[C@@H](C)[N@@H+]1CC[C@@H](N)C[C@@H]1C 219842005 571945384 /nfs/dbraw/zinc/94/53/84/571945384.db2.gz RITNRNRXWMIVBC-WRWGMCAJSA-N 1 3 198.354 2.233 10 0 AEAEHO CC[C@@H](C)[C@@H](C)[N@H+]1CC[C@@H](N)C[C@@H]1C 219842005 571945388 /nfs/dbraw/zinc/94/53/88/571945388.db2.gz RITNRNRXWMIVBC-WRWGMCAJSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@@H]1CCC[C@@](N)([C@H]2CCCC[NH2+]2)C1 687686041 571945819 /nfs/dbraw/zinc/94/58/19/571945819.db2.gz FUWXYVXTHMHXQP-UTUOFQBUSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@@H]1CCC[C@@]([NH3+])([C@H]2CCCCN2)C1 687686041 571945821 /nfs/dbraw/zinc/94/58/21/571945821.db2.gz FUWXYVXTHMHXQP-UTUOFQBUSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@@H](C(C)C)[N@@H+]1CC[C@@H](N)[C@@H](C)C1 219846060 571946691 /nfs/dbraw/zinc/94/66/91/571946691.db2.gz CBJUEORXEXLBLM-TUAOUCFPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@@H](C(C)C)[N@H+]1CC[C@@H](N)[C@@H](C)C1 219846060 571946695 /nfs/dbraw/zinc/94/66/95/571946695.db2.gz CBJUEORXEXLBLM-TUAOUCFPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC1CCC(N)([C@H]2CCCC[NH2+]2)CC1 687686814 571946735 /nfs/dbraw/zinc/94/67/35/571946735.db2.gz XBBXKEDLYQTBSH-MOENNCHZSA-N 1 3 196.338 2.036 10 0 AEAEHO CC1CCC([NH3+])([C@H]2CCCCN2)CC1 687686814 571946742 /nfs/dbraw/zinc/94/67/42/571946742.db2.gz XBBXKEDLYQTBSH-MOENNCHZSA-N 1 3 196.338 2.036 10 0 AEAEHO CCN[C@@H](C)C1([NH3+])CCC(CC)CC1 687686769 571947082 /nfs/dbraw/zinc/94/70/82/571947082.db2.gz UWZZHRXCGPWVIH-UNXYVOJBSA-N 1 3 198.354 2.282 10 0 AEAEHO NC1([C@@H]2CCCC[NH2+]2)CCCCCC1 687686291 571947481 /nfs/dbraw/zinc/94/74/81/571947481.db2.gz UQJBLCWQDVKTJQ-NSHDSACASA-N 1 3 196.338 2.180 10 0 AEAEHO [NH3+]C1([C@@H]2CCCCN2)CCCCCC1 687686291 571947484 /nfs/dbraw/zinc/94/74/84/571947484.db2.gz UQJBLCWQDVKTJQ-NSHDSACASA-N 1 3 196.338 2.180 10 0 AEAEHO CC1CCC(N)([C@@H]2CCCC[NH2+]2)CC1 687686813 571947500 /nfs/dbraw/zinc/94/75/00/571947500.db2.gz XBBXKEDLYQTBSH-CXQJBGSLSA-N 1 3 196.338 2.036 10 0 AEAEHO CC1CCC([NH3+])([C@@H]2CCCCN2)CC1 687686813 571947503 /nfs/dbraw/zinc/94/75/03/571947503.db2.gz XBBXKEDLYQTBSH-CXQJBGSLSA-N 1 3 196.338 2.036 10 0 AEAEHO NC1([C@H]2CCCC[NH2+]2)CCCCCC1 687686290 571947535 /nfs/dbraw/zinc/94/75/35/571947535.db2.gz UQJBLCWQDVKTJQ-LLVKDONJSA-N 1 3 196.338 2.180 10 0 AEAEHO [NH3+]C1([C@H]2CCCCN2)CCCCCC1 687686290 571947537 /nfs/dbraw/zinc/94/75/37/571947537.db2.gz UQJBLCWQDVKTJQ-LLVKDONJSA-N 1 3 196.338 2.180 10 0 AEAEHO CC1(C)CCCC(C)(C)[NH+]1CCCN 40448334 571951226 /nfs/dbraw/zinc/95/12/26/571951226.db2.gz NYRNLWUHRNDKHU-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO C[C@@H]1CC[NH2+][C@@H](C2(N)CCCCC2)C1 687688710 571956168 /nfs/dbraw/zinc/95/61/68/571956168.db2.gz PTIRBTKADZGZDZ-GHMZBOCLSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@@H]1CCN[C@@H](C2([NH3+])CCCCC2)C1 687688710 571956172 /nfs/dbraw/zinc/95/61/72/571956172.db2.gz PTIRBTKADZGZDZ-GHMZBOCLSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@](N)(C(C)C)[C@@H]1C[C@H](C)CC[NH2+]1 687688678 571956366 /nfs/dbraw/zinc/95/63/66/571956366.db2.gz MLZZXUGUJRSMCX-WOPDTQHZSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@]([NH3+])(C(C)C)[C@@H]1C[C@H](C)CCN1 687688678 571956368 /nfs/dbraw/zinc/95/63/68/571956368.db2.gz MLZZXUGUJRSMCX-WOPDTQHZSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@](N)(C(C)C)[C@H]1C[C@@H](C)CC[NH2+]1 687688676 571956818 /nfs/dbraw/zinc/95/68/18/571956818.db2.gz MLZZXUGUJRSMCX-TUAOUCFPSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@]([NH3+])(C(C)C)[C@H]1C[C@@H](C)CCN1 687688676 571956823 /nfs/dbraw/zinc/95/68/23/571956823.db2.gz MLZZXUGUJRSMCX-TUAOUCFPSA-N 1 3 198.354 2.138 10 0 AEAEHO C[C@H]1CC[NH2+][C@@H](C2(N)CCCCC2)C1 687688713 571956921 /nfs/dbraw/zinc/95/69/21/571956921.db2.gz PTIRBTKADZGZDZ-WDEREUQCSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@H]1CCN[C@@H](C2([NH3+])CCCCC2)C1 687688713 571956923 /nfs/dbraw/zinc/95/69/23/571956923.db2.gz PTIRBTKADZGZDZ-WDEREUQCSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@@H]1CC[NH2+][C@H](C2(N)CCCCC2)C1 687688711 571957989 /nfs/dbraw/zinc/95/79/89/571957989.db2.gz PTIRBTKADZGZDZ-MNOVXSKESA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@@H]1CCN[C@H](C2([NH3+])CCCCC2)C1 687688711 571957990 /nfs/dbraw/zinc/95/79/90/571957990.db2.gz PTIRBTKADZGZDZ-MNOVXSKESA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@](N)(C(C)C)[C@@H]1C[C@@H](C)CC[NH2+]1 687688675 571958474 /nfs/dbraw/zinc/95/84/74/571958474.db2.gz MLZZXUGUJRSMCX-SRVKXCTJSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@]([NH3+])(C(C)C)[C@@H]1C[C@@H](C)CCN1 687688675 571958476 /nfs/dbraw/zinc/95/84/76/571958476.db2.gz MLZZXUGUJRSMCX-SRVKXCTJSA-N 1 3 198.354 2.138 10 0 AEAEHO C[C@H]1CCN[C@H](C2([NH3+])CCCCC2)C1 687688712 571959020 /nfs/dbraw/zinc/95/90/20/571959020.db2.gz PTIRBTKADZGZDZ-QWRGUYRKSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@](N)(C(C)C)[C@H]1C[C@H](C)CC[NH2+]1 687688677 571958859 /nfs/dbraw/zinc/95/88/59/571958859.db2.gz MLZZXUGUJRSMCX-UTUOFQBUSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@]([NH3+])(C(C)C)[C@H]1C[C@H](C)CCN1 687688677 571958861 /nfs/dbraw/zinc/95/88/61/571958861.db2.gz MLZZXUGUJRSMCX-UTUOFQBUSA-N 1 3 198.354 2.138 10 0 AEAEHO C[C@H]1CC[NH2+][C@H](C2(N)CCCCC2)C1 687688712 571959018 /nfs/dbraw/zinc/95/90/18/571959018.db2.gz PTIRBTKADZGZDZ-QWRGUYRKSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@@](N)(C(C)C)[C@H]1CCCCC[NH2+]1 687688557 571960106 /nfs/dbraw/zinc/96/01/06/571960106.db2.gz XBVMRHFEIGXZQK-VXGBXAGGSA-N 1 3 198.354 2.282 10 0 AEAEHO CC[C@](N)(C(C)C)[C@H]1CCCCC[NH2+]1 687688554 571960140 /nfs/dbraw/zinc/96/01/40/571960140.db2.gz XBVMRHFEIGXZQK-NEPJUHHUSA-N 1 3 198.354 2.282 10 0 AEAEHO CC[C@H]1CCCC[C@H]1C[NH2+]CCCN 401611751 571960799 /nfs/dbraw/zinc/96/07/99/571960799.db2.gz KEIZNESHWSLXSH-RYUDHWBXSA-N 1 3 198.354 2.141 10 0 AEAEHO CC[C@H]1CCCC[C@@H]1C[NH2+]CCCN 401611750 571960813 /nfs/dbraw/zinc/96/08/13/571960813.db2.gz KEIZNESHWSLXSH-NWDGAFQWSA-N 1 3 198.354 2.141 10 0 AEAEHO CC[C@@H]1CCCC[C@@H]1C[NH2+]CCCN 401611752 571961208 /nfs/dbraw/zinc/96/12/08/571961208.db2.gz KEIZNESHWSLXSH-VXGBXAGGSA-N 1 3 198.354 2.141 10 0 AEAEHO CC[C@](N)(C(C)C)[C@@H]1CCCCC[NH2+]1 687688556 571961494 /nfs/dbraw/zinc/96/14/94/571961494.db2.gz XBVMRHFEIGXZQK-RYUDHWBXSA-N 1 3 198.354 2.282 10 0 AEAEHO CC[C@@H]1CCCC[C@H]1C[NH2+]CCCN 401611749 571961776 /nfs/dbraw/zinc/96/17/76/571961776.db2.gz KEIZNESHWSLXSH-NEPJUHHUSA-N 1 3 198.354 2.141 10 0 AEAEHO CC(C)=CCN[C@H]1CCC[N@@H+](C)CC1 234330400 571964885 /nfs/dbraw/zinc/96/48/85/571964885.db2.gz HOQGAUMLATXTBJ-LBPRGKRZSA-N 1 3 196.338 2.027 10 0 AEAEHO CC(C)=CCN[C@H]1CCC[N@H+](C)CC1 234330400 571964887 /nfs/dbraw/zinc/96/48/87/571964887.db2.gz HOQGAUMLATXTBJ-LBPRGKRZSA-N 1 3 196.338 2.027 10 0 AEAEHO CC[C@@H]1CC[NH2+][C@@H](C2(N)CCCC2)C1 687692731 571968078 /nfs/dbraw/zinc/96/80/78/571968078.db2.gz PRFAPUHJGNQZFD-GHMZBOCLSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@@H]1CCN[C@@H](C2([NH3+])CCCC2)C1 687692731 571968085 /nfs/dbraw/zinc/96/80/85/571968085.db2.gz PRFAPUHJGNQZFD-GHMZBOCLSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@H]1CC[NH2+][C@H](C2(N)CCCC2)C1 687692733 571968542 /nfs/dbraw/zinc/96/85/42/571968542.db2.gz PRFAPUHJGNQZFD-QWRGUYRKSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@H]1CCN[C@H](C2([NH3+])CCCC2)C1 687692733 571968545 /nfs/dbraw/zinc/96/85/45/571968545.db2.gz PRFAPUHJGNQZFD-QWRGUYRKSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@H]1CC[NH2+][C@@H](C2(N)CCCC2)C1 687692734 571968642 /nfs/dbraw/zinc/96/86/42/571968642.db2.gz PRFAPUHJGNQZFD-WDEREUQCSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@H]1CCN[C@@H](C2([NH3+])CCCC2)C1 687692734 571968647 /nfs/dbraw/zinc/96/86/47/571968647.db2.gz PRFAPUHJGNQZFD-WDEREUQCSA-N 1 3 196.338 2.036 10 0 AEAEHO CC(C)CCN(CC[C@H](C)[NH3+])C1CC1 109274034 571968661 /nfs/dbraw/zinc/96/86/61/571968661.db2.gz OOWGVTVBPMARCG-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)CCN(CC[C@@H](C)[NH3+])C1CC1 109274031 571969073 /nfs/dbraw/zinc/96/90/73/571969073.db2.gz OOWGVTVBPMARCG-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H]1CC[NH2+][C@H](C2(N)CCCC2)C1 687692732 571969270 /nfs/dbraw/zinc/96/92/70/571969270.db2.gz PRFAPUHJGNQZFD-MNOVXSKESA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@@H]1CCN[C@H](C2([NH3+])CCCC2)C1 687692732 571969272 /nfs/dbraw/zinc/96/92/72/571969272.db2.gz PRFAPUHJGNQZFD-MNOVXSKESA-N 1 3 196.338 2.036 10 0 AEAEHO CCCC[C@H](C)N[C@H]1C[NH2+]C[C@H](C)C1 401646514 571970524 /nfs/dbraw/zinc/97/05/24/571970524.db2.gz LUGLITBCIWUZEB-GRYCIOLGSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@H](C)CNC[C@H]1CCCCC[NH2+]1 81038783 571970541 /nfs/dbraw/zinc/97/05/41/571970541.db2.gz BKUGTDOMJVTDPI-NWDGAFQWSA-N 1 3 198.354 2.154 10 0 AEAEHO CCCC[C@H](C)N[C@@H]1C[NH2+]C[C@@H](C)C1 401646516 571970561 /nfs/dbraw/zinc/97/05/61/571970561.db2.gz LUGLITBCIWUZEB-SRVKXCTJSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)CCCN[C@@H]1C[NH2+]C[C@@H](C)C1 401637716 571971385 /nfs/dbraw/zinc/97/13/85/571971385.db2.gz FAPQUPQSWLLTRS-RYUDHWBXSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)CC[N@@H+](C1CC1)[C@@H](C)CCN 109272089 571971408 /nfs/dbraw/zinc/97/14/08/571971408.db2.gz YAKHBBDAUJYDIH-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)CC[N@H+](C1CC1)[C@@H](C)CCN 109272089 571971411 /nfs/dbraw/zinc/97/14/11/571971411.db2.gz YAKHBBDAUJYDIH-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)CCN(C1CC1)[C@@H](C)CC[NH3+] 109272089 571971415 /nfs/dbraw/zinc/97/14/15/571971415.db2.gz YAKHBBDAUJYDIH-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)CCCN[C@H]1C[NH2+]C[C@H](C)C1 401637717 571971716 /nfs/dbraw/zinc/97/17/16/571971716.db2.gz FAPQUPQSWLLTRS-VXGBXAGGSA-N 1 3 198.354 2.010 10 0 AEAEHO CCCC[C@H](C)N[C@@H]1C[NH2+]C[C@H](C)C1 401646517 571971820 /nfs/dbraw/zinc/97/18/20/571971820.db2.gz LUGLITBCIWUZEB-WOPDTQHZSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCC[C@H](C)N[C@H]1C[NH2+]C[C@@H](C)C1 401646515 571972239 /nfs/dbraw/zinc/97/22/39/571972239.db2.gz LUGLITBCIWUZEB-SDDRHHMPSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@@H](C)CNC[C@@H]1CCCCC[NH2+]1 81038777 571972991 /nfs/dbraw/zinc/97/29/91/571972991.db2.gz BKUGTDOMJVTDPI-NEPJUHHUSA-N 1 3 198.354 2.154 10 0 AEAEHO CC(C)[C@@H](C)C[NH2+]CCCNC1CC1 81068673 571973404 /nfs/dbraw/zinc/97/34/04/571973404.db2.gz FOMQPXBTJSMLJL-NSHDSACASA-N 1 3 198.354 2.010 10 0 AEAEHO CC[C@H]1CC[C@@H](CNC(C)(C)C)[NH2+]C1 212364291 571973989 /nfs/dbraw/zinc/97/39/89/571973989.db2.gz XANORLNEXQGJCW-QWRGUYRKSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)[C@H](C)CNC[C@]1(C)CCC[NH2+]1 81091972 571974012 /nfs/dbraw/zinc/97/40/12/571974012.db2.gz UTPZFLICWVKRIQ-NEPJUHHUSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)[C@H](C)C[NH2+]C[C@]1(C)CCCN1 81091972 571974017 /nfs/dbraw/zinc/97/40/17/571974017.db2.gz UTPZFLICWVKRIQ-NEPJUHHUSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)[C@H](C)CNC[C@H]1CCCC[NH2+]1 81068448 571974365 /nfs/dbraw/zinc/97/43/65/571974365.db2.gz DTMFJAVHPIXANU-VXGBXAGGSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)[C@@H](C)CNC[C@]1(C)CCC[NH2+]1 81069185 571974579 /nfs/dbraw/zinc/97/45/79/571974579.db2.gz UTPZFLICWVKRIQ-RYUDHWBXSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)[C@@H](C)C[NH2+]C[C@]1(C)CCCN1 81069185 571974580 /nfs/dbraw/zinc/97/45/80/571974580.db2.gz UTPZFLICWVKRIQ-RYUDHWBXSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)[C@H](C)CNC[C@@]1(C)CCC[NH2+]1 81091999 571975520 /nfs/dbraw/zinc/97/55/20/571975520.db2.gz UTPZFLICWVKRIQ-VXGBXAGGSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)[C@H](C)C[NH2+]C[C@@]1(C)CCCN1 81091999 571975523 /nfs/dbraw/zinc/97/55/23/571975523.db2.gz UTPZFLICWVKRIQ-VXGBXAGGSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)[C@H](C)C[NH2+]CCCNC1CC1 81068679 571976009 /nfs/dbraw/zinc/97/60/09/571976009.db2.gz FOMQPXBTJSMLJL-LLVKDONJSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)[C@@H](C)CNC[C@@H]1CCCC[NH2+]1 81068439 571976186 /nfs/dbraw/zinc/97/61/86/571976186.db2.gz DTMFJAVHPIXANU-RYUDHWBXSA-N 1 3 198.354 2.010 10 0 AEAEHO C/C=C/C[N@@H+]1CCCN[C@@](C)(CC)C1 233989999 571977011 /nfs/dbraw/zinc/97/70/11/571977011.db2.gz ULOYCWWADTYYCL-FUEXJSSKSA-N 1 3 196.338 2.027 10 0 AEAEHO C/C=C/C[N@H+]1CCCN[C@@](C)(CC)C1 233989999 571977013 /nfs/dbraw/zinc/97/70/13/571977013.db2.gz ULOYCWWADTYYCL-FUEXJSSKSA-N 1 3 196.338 2.027 10 0 AEAEHO CCCC[C@@H](C)CN[C@H](C)C[NH2+]C 300847956 571984192 /nfs/dbraw/zinc/98/41/92/571984192.db2.gz ASIMMMBPXPLEAN-GHMZBOCLSA-N 1 3 186.343 2.010 10 0 AEAEHO CCCC[C@H](C)CN[C@@H](C)C[NH2+]C 300847963 571984281 /nfs/dbraw/zinc/98/42/81/571984281.db2.gz ASIMMMBPXPLEAN-QWRGUYRKSA-N 1 3 186.343 2.010 10 0 AEAEHO CCCC[C@@H](C)CN[C@@H](C)C[NH2+]C 300847960 571984563 /nfs/dbraw/zinc/98/45/63/571984563.db2.gz ASIMMMBPXPLEAN-MNOVXSKESA-N 1 3 186.343 2.010 10 0 AEAEHO CCCC[C@H](C)CN[C@H](C)C[NH2+]C 300847966 571984603 /nfs/dbraw/zinc/98/46/03/571984603.db2.gz ASIMMMBPXPLEAN-WDEREUQCSA-N 1 3 186.343 2.010 10 0 AEAEHO CC(C)=CCN[C@@H]1CCC[N@@H+](C)CC1 234340321 571985436 /nfs/dbraw/zinc/98/54/36/571985436.db2.gz HOQGAUMLATXTBJ-GFCCVEGCSA-N 1 3 196.338 2.027 10 0 AEAEHO CC(C)=CCN[C@@H]1CCC[N@H+](C)CC1 234340321 571985441 /nfs/dbraw/zinc/98/54/41/571985441.db2.gz HOQGAUMLATXTBJ-GFCCVEGCSA-N 1 3 196.338 2.027 10 0 AEAEHO CCC(CC)[NH2+][C@@H]1CCNCC1(C)C 300857521 571989953 /nfs/dbraw/zinc/98/99/53/571989953.db2.gz OROGDAOEMBQJRE-LLVKDONJSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC(CC)[NH2+][C@H]1CCNCC1(C)C 300857526 571990083 /nfs/dbraw/zinc/99/00/83/571990083.db2.gz OROGDAOEMBQJRE-NSHDSACASA-N 1 3 198.354 2.153 10 0 AEAEHO CC[NH+](CC)[C@@H](CCN)C(C)(C)C 74279745 571995327 /nfs/dbraw/zinc/99/53/27/571995327.db2.gz ACWHYIQLSDEQQN-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CC[NH+](CC)[C@@H](CCN)CC(C)C 74279751 571996558 /nfs/dbraw/zinc/99/65/58/571996558.db2.gz XBUZEZWBGNUUFP-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO C[C@@H]([C@H](N)CCC(C)(C)C)[NH+](C)C 74279767 571997100 /nfs/dbraw/zinc/99/71/00/571997100.db2.gz GYQWUVGCPNNYMO-VHSXEESVSA-N 1 3 186.343 2.090 10 0 AEAEHO CNCC[C@H]1CCC[N@H+]1C1CCCC1 219573941 571998173 /nfs/dbraw/zinc/99/81/73/571998173.db2.gz HNIINRAJJXENOX-GFCCVEGCSA-N 1 3 196.338 2.003 10 0 AEAEHO CNCC[C@H]1CCC[N@@H+]1C1CCCC1 219573941 571998169 /nfs/dbraw/zinc/99/81/69/571998169.db2.gz HNIINRAJJXENOX-GFCCVEGCSA-N 1 3 196.338 2.003 10 0 AEAEHO C[NH2+]C(C)(C)CNCC1(C(C)C)CC1 234386436 572000004 /nfs/dbraw/zinc/00/00/04/572000004.db2.gz USFDQUIRVKOJBZ-UHFFFAOYSA-N 1 3 198.354 2.010 10 0 AEAEHO CC[NH2+]CCCN1CCCC[C@@H]1CC 33943697 572001759 /nfs/dbraw/zinc/00/17/59/572001759.db2.gz UNIVJAJCEVKJAS-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCNCCC[N@@H+]1CCCC[C@@H]1CC 33943697 572001761 /nfs/dbraw/zinc/00/17/61/572001761.db2.gz UNIVJAJCEVKJAS-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCNCCC[N@H+]1CCCC[C@@H]1CC 33943697 572001763 /nfs/dbraw/zinc/00/17/63/572001763.db2.gz UNIVJAJCEVKJAS-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[NH2+][C@@H](C)CCN(CC)CC1CC1 68946868 572006317 /nfs/dbraw/zinc/00/63/17/572006317.db2.gz OXYPIZHJFZGBKY-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCN[C@@H](C)CC[N@H+](CC)CC1CC1 68946868 572006319 /nfs/dbraw/zinc/00/63/19/572006319.db2.gz OXYPIZHJFZGBKY-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCN[C@@H](C)CC[N@@H+](CC)CC1CC1 68946868 572006321 /nfs/dbraw/zinc/00/63/21/572006321.db2.gz OXYPIZHJFZGBKY-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)CNC[C@H]1[NH2+]CCC[C@H]1C 300228492 572009614 /nfs/dbraw/zinc/00/96/14/572009614.db2.gz PGYYSQINKPLNAC-QJPTWQEYSA-N 1 3 198.354 2.010 10 0 AEAEHO CCCCCC[N@H+](CCCN)C1CC1 34960442 572009707 /nfs/dbraw/zinc/00/97/07/572009707.db2.gz IPHFRQMVRALUMZ-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CCCCCC[N@@H+](CCCN)C1CC1 34960442 572009709 /nfs/dbraw/zinc/00/97/09/572009709.db2.gz IPHFRQMVRALUMZ-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CCCCCCN(CCC[NH3+])C1CC1 34960442 572009712 /nfs/dbraw/zinc/00/97/12/572009712.db2.gz IPHFRQMVRALUMZ-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CCCC[N@H+](CCCN)C1CCCC1 34960474 572011507 /nfs/dbraw/zinc/01/15/07/572011507.db2.gz LAMWVVWPJJCDAG-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CCCC[N@@H+](CCCN)C1CCCC1 34960474 572011509 /nfs/dbraw/zinc/01/15/09/572011509.db2.gz LAMWVVWPJJCDAG-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CC[NH2+]C[C@H](C)NC[C@@H]1CCC[C@H]1C 300231887 572012066 /nfs/dbraw/zinc/01/20/66/572012066.db2.gz FDUYYWGTVRDTTP-WOPDTQHZSA-N 1 3 198.354 2.010 10 0 AEAEHO CCCC[C@@H](CC)[NH+]1CCC(N)CC1 68988912 572012320 /nfs/dbraw/zinc/01/23/20/572012320.db2.gz GETZRCATYZDBKP-GFCCVEGCSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCC[C@@H](CC)N1CCC([NH3+])CC1 68988912 572012323 /nfs/dbraw/zinc/01/23/23/572012323.db2.gz GETZRCATYZDBKP-GFCCVEGCSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[N@H+](CC[C@@H](C)N)C1CCCCC1 35221553 572014632 /nfs/dbraw/zinc/01/46/32/572014632.db2.gz PAIPDPVOYZVARR-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[N@@H+](CC[C@@H](C)N)C1CCCCC1 35221553 572014635 /nfs/dbraw/zinc/01/46/35/572014635.db2.gz PAIPDPVOYZVARR-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCC[C@H](CC)[NH+]1CCC(N)CC1 68988917 572014119 /nfs/dbraw/zinc/01/41/19/572014119.db2.gz GETZRCATYZDBKP-LBPRGKRZSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCC[C@H](CC)N1CCC([NH3+])CC1 68988917 572014124 /nfs/dbraw/zinc/01/41/24/572014124.db2.gz GETZRCATYZDBKP-LBPRGKRZSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCC[C@H](CC)[N@@H+]1CC[C@H](CN)C1 68988974 572014331 /nfs/dbraw/zinc/01/43/31/572014331.db2.gz WLCYPPGLPMVDHA-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[C@H](CC)[N@H+]1CC[C@H](CN)C1 68988974 572014335 /nfs/dbraw/zinc/01/43/35/572014335.db2.gz WLCYPPGLPMVDHA-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(C)(C)[N@H+](C)[C@@H]1CCC[C@@H]1CN 68995008 572015409 /nfs/dbraw/zinc/01/54/09/572015409.db2.gz SPUFRVGDMZRXNA-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(C)[N@@H+](C)[C@@H]1CCC[C@@H]1CN 68995008 572015410 /nfs/dbraw/zinc/01/54/10/572015410.db2.gz SPUFRVGDMZRXNA-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CCNCC[C@@H](C)[N@H+](CC)CC1CC1 68948651 572017065 /nfs/dbraw/zinc/01/70/65/572017065.db2.gz MBBDBVUIMDZHSA-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCC[C@@H](C)[N@@H+](CC)CC1CC1 68948651 572017067 /nfs/dbraw/zinc/01/70/67/572017067.db2.gz MBBDBVUIMDZHSA-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[N@H+](CC1CCC1)[C@@H](C)C[C@H](C)N 300237672 572017472 /nfs/dbraw/zinc/01/74/72/572017472.db2.gz CLWPTVVXQLGXLR-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[N@@H+](CC1CCC1)[C@@H](C)C[C@H](C)N 300237672 572017475 /nfs/dbraw/zinc/01/74/75/572017475.db2.gz CLWPTVVXQLGXLR-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[N@@H+](CC1CCCC1)C[C@@H](C)CN 42443146 572017696 /nfs/dbraw/zinc/01/76/96/572017696.db2.gz BJSILSAVYLTKML-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC[N@H+](CC1CCCC1)C[C@@H](C)CN 42443146 572017697 /nfs/dbraw/zinc/01/76/97/572017697.db2.gz BJSILSAVYLTKML-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](CCN)[N@H+](C)C1CCCCC1 35234520 572018102 /nfs/dbraw/zinc/01/81/02/572018102.db2.gz CDJNAWPMIQOQID-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H](CCN)[N@@H+](C)C1CCCCC1 35234520 572018104 /nfs/dbraw/zinc/01/81/04/572018104.db2.gz CDJNAWPMIQOQID-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CC[N@@H+](CC1CCC1)C[C@H](C)[C@H](C)N 300238816 572018156 /nfs/dbraw/zinc/01/81/56/572018156.db2.gz TWHRINZUCRQOCF-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@H+](CC1CCC1)C[C@H](C)[C@H](C)N 300238816 572018158 /nfs/dbraw/zinc/01/81/58/572018158.db2.gz TWHRINZUCRQOCF-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](CC1CCC1)C[C@@H](C)[C@H](C)N 300238815 572018852 /nfs/dbraw/zinc/01/88/52/572018852.db2.gz TWHRINZUCRQOCF-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@H+](CC1CCC1)C[C@@H](C)[C@H](C)N 300238815 572018856 /nfs/dbraw/zinc/01/88/56/572018856.db2.gz TWHRINZUCRQOCF-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@H+](CC1CCC1)[C@H](C)C[C@H](C)N 300237673 572019012 /nfs/dbraw/zinc/01/90/12/572019012.db2.gz CLWPTVVXQLGXLR-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[N@@H+](CC1CCC1)[C@H](C)C[C@H](C)N 300237673 572019015 /nfs/dbraw/zinc/01/90/15/572019015.db2.gz CLWPTVVXQLGXLR-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](CCN)[N@H+](C)C1CCCCC1 35234521 572019121 /nfs/dbraw/zinc/01/91/21/572019121.db2.gz CDJNAWPMIQOQID-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](CCN)[N@@H+](C)C1CCCCC1 35234521 572019124 /nfs/dbraw/zinc/01/91/24/572019124.db2.gz CDJNAWPMIQOQID-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CCNCCC[N@H+](C)C(C)(C)CC 68997343 572019439 /nfs/dbraw/zinc/01/94/39/572019439.db2.gz DQMSEWPUVBWNIS-UHFFFAOYSA-N 1 3 186.343 2.106 10 0 AEAEHO CCNCCC[N@@H+](C)C(C)(C)CC 68997343 572019442 /nfs/dbraw/zinc/01/94/42/572019442.db2.gz DQMSEWPUVBWNIS-UHFFFAOYSA-N 1 3 186.343 2.106 10 0 AEAEHO CC[N@H+](CC1CCC1)[C@H](C)[C@H](C)CN 300239112 572019607 /nfs/dbraw/zinc/01/96/07/572019607.db2.gz ZFORPXPGBDDSGQ-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](CC1CCC1)[C@H](C)[C@H](C)CN 300239112 572019611 /nfs/dbraw/zinc/01/96/11/572019611.db2.gz ZFORPXPGBDDSGQ-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(C)[N@H+](C)CC[C@@H](C)NC 68996653 572019638 /nfs/dbraw/zinc/01/96/38/572019638.db2.gz YSXNHRNBAHOFHC-SNVBAGLBSA-N 1 3 186.343 2.105 10 0 AEAEHO CCC(C)(C)[N@@H+](C)CC[C@@H](C)NC 68996653 572019642 /nfs/dbraw/zinc/01/96/42/572019642.db2.gz YSXNHRNBAHOFHC-SNVBAGLBSA-N 1 3 186.343 2.105 10 0 AEAEHO CCC(C)(C)[N@H+](C)CCCNC1CC1 68997154 572019654 /nfs/dbraw/zinc/01/96/54/572019654.db2.gz LFFSBMLWDIFFMY-UHFFFAOYSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC(C)(C)[N@@H+](C)CCCNC1CC1 68997154 572019658 /nfs/dbraw/zinc/01/96/58/572019658.db2.gz LFFSBMLWDIFFMY-UHFFFAOYSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC(C)(C)[N@H+](C)CC[C@H](C)NC 68996659 572020088 /nfs/dbraw/zinc/02/00/88/572020088.db2.gz YSXNHRNBAHOFHC-JTQLQIEISA-N 1 3 186.343 2.105 10 0 AEAEHO CCC(C)(C)[N@@H+](C)CC[C@H](C)NC 68996659 572020090 /nfs/dbraw/zinc/02/00/90/572020090.db2.gz YSXNHRNBAHOFHC-JTQLQIEISA-N 1 3 186.343 2.105 10 0 AEAEHO CCC(C)(C)N(C)C[C@@]1(C)CC[NH2+]C1 69015490 572021119 /nfs/dbraw/zinc/02/11/19/572021119.db2.gz VXXQNZLJNXNUOF-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(C)(C)N(C)C[C@]1(C)CC[NH2+]C1 69015488 572022539 /nfs/dbraw/zinc/02/25/39/572022539.db2.gz VXXQNZLJNXNUOF-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(C)(C)[N@H+](C)C[C@@H]1CCC[C@@H]1N 69011698 572023475 /nfs/dbraw/zinc/02/34/75/572023475.db2.gz WLNOHPPTWNPSRS-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(C)[N@@H+](C)C[C@@H]1CCC[C@@H]1N 69011698 572023478 /nfs/dbraw/zinc/02/34/78/572023478.db2.gz WLNOHPPTWNPSRS-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(C)[N@H+](C)C[C@H]1CCC[C@@H]1N 69011700 572024059 /nfs/dbraw/zinc/02/40/59/572024059.db2.gz WLNOHPPTWNPSRS-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(C)[N@@H+](C)C[C@H]1CCC[C@@H]1N 69011700 572024061 /nfs/dbraw/zinc/02/40/61/572024061.db2.gz WLNOHPPTWNPSRS-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CCCCC[C@](C)(C[NH3+])N1CCCC1 82390069 572025148 /nfs/dbraw/zinc/02/51/48/572025148.db2.gz BDEHQDGNQBBVAL-GFCCVEGCSA-N 1 3 198.354 2.380 10 0 AEAEHO CCC[N@H+](CC1CC1)[C@H](CC)CCN 35452185 572025804 /nfs/dbraw/zinc/02/58/04/572025804.db2.gz IZRDLBREECPWNS-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+](CC1CC1)[C@H](CC)CCN 35452185 572025806 /nfs/dbraw/zinc/02/58/06/572025806.db2.gz IZRDLBREECPWNS-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H]1CC[NH2+][C@@H](C(N)(CC)CC)C1 687775882 572030148 /nfs/dbraw/zinc/03/01/48/572030148.db2.gz GJFATHWVWMLOFS-GHMZBOCLSA-N 1 3 198.354 2.282 10 0 AEAEHO CC[C@@H]1CCN[C@@H](C([NH3+])(CC)CC)C1 687775882 572030149 /nfs/dbraw/zinc/03/01/49/572030149.db2.gz GJFATHWVWMLOFS-GHMZBOCLSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCCC1([NH3+])CCN(CCC)CC1 687701526 572033728 /nfs/dbraw/zinc/03/37/28/572033728.db2.gz GNOFULZXZGBDRA-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CC[C@H](CCN)[N@H+](CC)C1CCCC1 35765217 572034336 /nfs/dbraw/zinc/03/43/36/572034336.db2.gz ADCVWXRNAVXBGR-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](CCN)[N@@H+](CC)C1CCCC1 35765217 572034340 /nfs/dbraw/zinc/03/43/40/572034340.db2.gz ADCVWXRNAVXBGR-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCCC[C@@H](C)[NH2+]CC[C@@H](C)N 42574167 572037088 /nfs/dbraw/zinc/03/70/88/572037088.db2.gz ASWBIANPEZPQCZ-GHMZBOCLSA-N 1 3 186.343 2.282 10 0 AEAEHO CNCC[C@H](C)[N@@H+]1CCC[C@H](C)CC1 82490490 572037469 /nfs/dbraw/zinc/03/74/69/572037469.db2.gz IZLPJXQUEDJOBM-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CNCC[C@H](C)[N@H+]1CCC[C@H](C)CC1 82490490 572037472 /nfs/dbraw/zinc/03/74/72/572037472.db2.gz IZLPJXQUEDJOBM-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@H](C)CC[N@@H+]1CCC[C@@H](C)CC1 82489159 572037767 /nfs/dbraw/zinc/03/77/67/572037767.db2.gz HWRIXAFLAKUSMI-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@H](C)CC[N@H+]1CCC[C@@H](C)CC1 82489159 572037771 /nfs/dbraw/zinc/03/77/71/572037771.db2.gz HWRIXAFLAKUSMI-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+]CCCN1CCC[C@@H](C)CC1 82489222 572037875 /nfs/dbraw/zinc/03/78/75/572037875.db2.gz YDKXZPUWXUDZIU-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CCNCCC[N@@H+]1CCC[C@@H](C)CC1 82489222 572037878 /nfs/dbraw/zinc/03/78/78/572037878.db2.gz YDKXZPUWXUDZIU-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CCNCCC[N@H+]1CCC[C@@H](C)CC1 82489222 572037884 /nfs/dbraw/zinc/03/78/84/572037884.db2.gz YDKXZPUWXUDZIU-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CC[C@H](CCN)[N@@H+]1CCC[C@H](C)CC1 82488872 572038127 /nfs/dbraw/zinc/03/81/27/572038127.db2.gz KSWDYKNAECKQDV-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](CCN)[N@H+]1CCC[C@H](C)CC1 82488872 572038131 /nfs/dbraw/zinc/03/81/31/572038131.db2.gz KSWDYKNAECKQDV-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CNCC[C@H](C)[N@@H+]1CCC[C@@H](C)CC1 82490486 572038688 /nfs/dbraw/zinc/03/86/88/572038688.db2.gz IZLPJXQUEDJOBM-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CNCC[C@H](C)[N@H+]1CCC[C@@H](C)CC1 82490486 572038691 /nfs/dbraw/zinc/03/86/91/572038691.db2.gz IZLPJXQUEDJOBM-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@H](C)CC[N@@H+]1CCC[C@H](C)CC1 82489161 572040215 /nfs/dbraw/zinc/04/02/15/572040215.db2.gz HWRIXAFLAKUSMI-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@H](C)CC[N@H+]1CCC[C@H](C)CC1 82489161 572040217 /nfs/dbraw/zinc/04/02/17/572040217.db2.gz HWRIXAFLAKUSMI-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H]1CCC[N@@H+]([C@@H](CC)CCN)C1 36169015 572040348 /nfs/dbraw/zinc/04/03/48/572040348.db2.gz WIXFGGSXDLWGKV-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H]1CCC[N@H+]([C@@H](CC)CCN)C1 36169015 572040350 /nfs/dbraw/zinc/04/03/50/572040350.db2.gz WIXFGGSXDLWGKV-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](CCN)[N@@H+]1CCC[C@@H](CC)C1 36169014 572040663 /nfs/dbraw/zinc/04/06/63/572040663.db2.gz WIXFGGSXDLWGKV-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](CCN)[N@H+]1CCC[C@@H](CC)C1 36169014 572040665 /nfs/dbraw/zinc/04/06/65/572040665.db2.gz WIXFGGSXDLWGKV-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH2+]CCCN1CCC[C@H](C)CC1 82489220 572040688 /nfs/dbraw/zinc/04/06/88/572040688.db2.gz YDKXZPUWXUDZIU-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO CCNCCC[N@@H+]1CCC[C@H](C)CC1 82489220 572040690 /nfs/dbraw/zinc/04/06/90/572040690.db2.gz YDKXZPUWXUDZIU-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO CCNCCC[N@H+]1CCC[C@H](C)CC1 82489220 572040693 /nfs/dbraw/zinc/04/06/93/572040693.db2.gz YDKXZPUWXUDZIU-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO C[C@H]1CCC[NH2+][C@H]1CNCC(C)(C)C 235594478 572041587 /nfs/dbraw/zinc/04/15/87/572041587.db2.gz HPKZAAWEBYZBIL-QWRGUYRKSA-N 1 3 198.354 2.010 10 0 AEAEHO CCCCCC1([NH3+])CCN(CC)CC1 687702132 572041727 /nfs/dbraw/zinc/04/17/27/572041727.db2.gz KFMBDAIGAHLPJB-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CC[C@@H](CCN)[N@H+](C)CC1CCCC1 82492013 572042175 /nfs/dbraw/zinc/04/21/75/572042175.db2.gz SUVQIFWZQZQDGF-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](CCN)[N@@H+](C)CC1CCCC1 82492013 572042177 /nfs/dbraw/zinc/04/21/77/572042177.db2.gz SUVQIFWZQZQDGF-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH2+]CCCN(C)CC1CCCC1 82492360 572042304 /nfs/dbraw/zinc/04/23/04/572042304.db2.gz XKPYBFHPHIIEMZ-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CCNCCC[N@H+](C)CC1CCCC1 82492360 572042306 /nfs/dbraw/zinc/04/23/06/572042306.db2.gz XKPYBFHPHIIEMZ-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CCNCCC[N@@H+](C)CC1CCCC1 82492360 572042310 /nfs/dbraw/zinc/04/23/10/572042310.db2.gz XKPYBFHPHIIEMZ-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CNCC[C@H](C)[N@H+](C)CC1CCCC1 82493136 572042539 /nfs/dbraw/zinc/04/25/39/572042539.db2.gz CBWQSJBNOPSZKU-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CNCC[C@H](C)[N@@H+](C)CC1CCCC1 82493136 572042543 /nfs/dbraw/zinc/04/25/43/572042543.db2.gz CBWQSJBNOPSZKU-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](CCN)[N@H+](C)CC1CCCC1 82492014 572042652 /nfs/dbraw/zinc/04/26/52/572042652.db2.gz SUVQIFWZQZQDGF-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](CCN)[N@@H+](C)CC1CCCC1 82492014 572042654 /nfs/dbraw/zinc/04/26/54/572042654.db2.gz SUVQIFWZQZQDGF-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO C[NH2+][C@H](C)CCN(C)CC1CCCC1 82492311 572043004 /nfs/dbraw/zinc/04/30/04/572043004.db2.gz ZXBMDSAZTDYJGP-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@H](C)CC[N@H+](C)CC1CCCC1 82492311 572043008 /nfs/dbraw/zinc/04/30/08/572043008.db2.gz ZXBMDSAZTDYJGP-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@H](C)CC[N@@H+](C)CC1CCCC1 82492311 572043011 /nfs/dbraw/zinc/04/30/11/572043011.db2.gz ZXBMDSAZTDYJGP-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO C[NH2+][C@@H](C)CCN(C)CC1CCCC1 82492309 572043261 /nfs/dbraw/zinc/04/32/61/572043261.db2.gz ZXBMDSAZTDYJGP-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@@H](C)CC[N@H+](C)CC1CCCC1 82492309 572043263 /nfs/dbraw/zinc/04/32/63/572043263.db2.gz ZXBMDSAZTDYJGP-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@@H](C)CC[N@@H+](C)CC1CCCC1 82492309 572043265 /nfs/dbraw/zinc/04/32/65/572043265.db2.gz ZXBMDSAZTDYJGP-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CNCC[C@@H](C)[N@H+](C)CC1CCCC1 82493137 572043417 /nfs/dbraw/zinc/04/34/17/572043417.db2.gz CBWQSJBNOPSZKU-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CNCC[C@@H](C)[N@@H+](C)CC1CCCC1 82493137 572043421 /nfs/dbraw/zinc/04/34/21/572043421.db2.gz CBWQSJBNOPSZKU-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO C[NH2+]C[C@@H](C)NCCCC(C)(C)C 300916659 572044219 /nfs/dbraw/zinc/04/42/19/572044219.db2.gz SQTXPPIBQGJJHU-SNVBAGLBSA-N 1 3 186.343 2.010 10 0 AEAEHO CC[C@H](C)[C@H](C)[N@@H+]1C[C@H](CN)C[C@H]1C 251838658 572044649 /nfs/dbraw/zinc/04/46/49/572044649.db2.gz LCQVSBGBIUZHPW-USZNOCQGSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@H](C)[C@H](C)[N@H+]1C[C@H](CN)C[C@H]1C 251838658 572044650 /nfs/dbraw/zinc/04/46/50/572044650.db2.gz LCQVSBGBIUZHPW-USZNOCQGSA-N 1 3 198.354 2.090 10 0 AEAEHO CCNC[C@@H](C)C[NH2+]CCC1CCC1 229118638 572044653 /nfs/dbraw/zinc/04/46/53/572044653.db2.gz ZUGPXCKDRRTIMK-LLVKDONJSA-N 1 3 198.354 2.012 10 0 AEAEHO C[NH2+]C[C@H](C)NCCCC(C)(C)C 300916657 572045000 /nfs/dbraw/zinc/04/50/00/572045000.db2.gz SQTXPPIBQGJJHU-JTQLQIEISA-N 1 3 186.343 2.010 10 0 AEAEHO CCC[C@@H]1CCCC[N@@H+]1CC[C@@H](C)N 212882775 572046000 /nfs/dbraw/zinc/04/60/00/572046000.db2.gz DHEAFGIQKXTISE-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@@H]1CCCC[N@H+]1CC[C@@H](C)N 212882775 572046002 /nfs/dbraw/zinc/04/60/02/572046002.db2.gz DHEAFGIQKXTISE-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO C[C@H]([NH3+])CCN(C)CCC(C)(C)C 220075611 572049341 /nfs/dbraw/zinc/04/93/41/572049341.db2.gz BFAHLDUCNVAKLD-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CC[N@@H+]1C[C@H](N)C[C@@H](CC(C)(C)C)C1 250212612 572050090 /nfs/dbraw/zinc/05/00/90/572050090.db2.gz CTHKQPROVZNDLU-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@H+]1C[C@H](N)C[C@@H](CC(C)(C)C)C1 250212612 572050092 /nfs/dbraw/zinc/05/00/92/572050092.db2.gz CTHKQPROVZNDLU-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@H+]1C[C@@H](CC(C)(C)C)C[C@@H](N)C1 250212609 572050999 /nfs/dbraw/zinc/05/09/99/572050999.db2.gz CTHKQPROVZNDLU-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+]1C[C@@H](CC(C)(C)C)C[C@@H](N)C1 250212609 572051000 /nfs/dbraw/zinc/05/10/00/572051000.db2.gz CTHKQPROVZNDLU-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(CC)(C[NH3+])Nc1ccncc1 82593752 572057066 /nfs/dbraw/zinc/05/70/66/572057066.db2.gz OJCUHIBJGWKPNQ-UHFFFAOYSA-N 1 3 193.294 2.011 10 0 AEAEHO CC[C@H](CCN)[NH+]1CCCCCCC1 36677584 572057745 /nfs/dbraw/zinc/05/77/45/572057745.db2.gz XFXICEHOTVLZKB-GFCCVEGCSA-N 1 3 198.354 2.380 10 0 AEAEHO CC[C@@H](CCN)[NH+]1CCCCCCC1 36677583 572058726 /nfs/dbraw/zinc/05/87/26/572058726.db2.gz XFXICEHOTVLZKB-LBPRGKRZSA-N 1 3 198.354 2.380 10 0 AEAEHO CC[C@@H](CCN)[N@@H+]1C[C@@H](C)C[C@@H](C)C1 36677490 572058992 /nfs/dbraw/zinc/05/89/92/572058992.db2.gz IVUQZXNSGCKQPE-TUAOUCFPSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](CCN)[N@H+]1C[C@@H](C)C[C@@H](C)C1 36677490 572058997 /nfs/dbraw/zinc/05/89/97/572058997.db2.gz IVUQZXNSGCKQPE-TUAOUCFPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[NH+](CCC)[C@@H](CC)CCN 36677464 572059052 /nfs/dbraw/zinc/05/90/52/572059052.db2.gz YUTVCROFMVSKHM-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CC[C@H](CCN)[N@@H+]1C[C@@H](C)C[C@@H](C)C1 36677491 572059488 /nfs/dbraw/zinc/05/94/88/572059488.db2.gz IVUQZXNSGCKQPE-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](CCN)[N@H+]1C[C@@H](C)C[C@@H](C)C1 36677491 572059491 /nfs/dbraw/zinc/05/94/91/572059491.db2.gz IVUQZXNSGCKQPE-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](CN)C[NH2+]CC1(C)CCCCC1 235097260 572061630 /nfs/dbraw/zinc/06/16/30/572061630.db2.gz YHRDHUHDVXAJGR-NSHDSACASA-N 1 3 198.354 2.141 10 0 AEAEHO CC[C@H](C)[N@H+](CCCN)C1CCCC1 36732203 572061915 /nfs/dbraw/zinc/06/19/15/572061915.db2.gz HFNQRPDVNQSVQW-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](C)[N@@H+](CCCN)C1CCCC1 36732203 572061917 /nfs/dbraw/zinc/06/19/17/572061917.db2.gz HFNQRPDVNQSVQW-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CC[N@H+](CCCN)CC1CCCCC1 36731772 572062225 /nfs/dbraw/zinc/06/22/25/572062225.db2.gz VYPKJADAMCHDRQ-UHFFFAOYSA-N 1 3 198.354 2.237 10 0 AEAEHO CC[N@@H+](CCCN)CC1CCCCC1 36731772 572062229 /nfs/dbraw/zinc/06/22/29/572062229.db2.gz VYPKJADAMCHDRQ-UHFFFAOYSA-N 1 3 198.354 2.237 10 0 AEAEHO C[C@@H](CN)C[NH2+][C@H]1CCC[C@@H](C)CC1 235098374 572062373 /nfs/dbraw/zinc/06/23/73/572062373.db2.gz OZJHTYZCQNPBBR-WOPDTQHZSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)CC[N@H+](CCCN)C(C)C 36731975 572063106 /nfs/dbraw/zinc/06/31/06/572063106.db2.gz GKMMOKCWQUPCLB-UHFFFAOYSA-N 1 3 186.343 2.092 10 0 AEAEHO CC(C)CC[N@@H+](CCCN)C(C)C 36731975 572063107 /nfs/dbraw/zinc/06/31/07/572063107.db2.gz GKMMOKCWQUPCLB-UHFFFAOYSA-N 1 3 186.343 2.092 10 0 AEAEHO C[C@@H](CN)C[NH2+][C@@H]1CCC[C@@H](C)CC1 235098176 572063379 /nfs/dbraw/zinc/06/33/79/572063379.db2.gz OZJHTYZCQNPBBR-GRYCIOLGSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@H](CCN)[N@H+](C)[C@@H](C)C(C)C 36786676 572064128 /nfs/dbraw/zinc/06/41/28/572064128.db2.gz NVSZWFPPVBASSE-WDEREUQCSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@H](CCN)[N@@H+](C)[C@@H](C)C(C)C 36786676 572064131 /nfs/dbraw/zinc/06/41/31/572064131.db2.gz NVSZWFPPVBASSE-WDEREUQCSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@@H](CCN)[N@H+](C)[C@@H](C)C(C)C 36786675 572064171 /nfs/dbraw/zinc/06/41/71/572064171.db2.gz NVSZWFPPVBASSE-QWRGUYRKSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@@H](CCN)[N@@H+](C)[C@@H](C)C(C)C 36786675 572064174 /nfs/dbraw/zinc/06/41/74/572064174.db2.gz NVSZWFPPVBASSE-QWRGUYRKSA-N 1 3 186.343 2.090 10 0 AEAEHO CCC(CC)[N@H+](C)C[C@@H]1CCCNC1 36789297 572064551 /nfs/dbraw/zinc/06/45/51/572064551.db2.gz FHYXJOFIPYGERE-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(CC)[N@@H+](C)C[C@@H]1CCCNC1 36789297 572064554 /nfs/dbraw/zinc/06/45/54/572064554.db2.gz FHYXJOFIPYGERE-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1CN 36786628 572064809 /nfs/dbraw/zinc/06/48/09/572064809.db2.gz YZRTWVJZBRGJTK-QJPTWQEYSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1CN 36786628 572064811 /nfs/dbraw/zinc/06/48/11/572064811.db2.gz YZRTWVJZBRGJTK-QJPTWQEYSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC(CC)[N@H+](C)[C@@H](CC)CCN 36788585 572065287 /nfs/dbraw/zinc/06/52/87/572065287.db2.gz IMQGTLYDWXWYLY-NSHDSACASA-N 1 3 186.343 2.234 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@@H](CC)CCN 36788585 572065290 /nfs/dbraw/zinc/06/52/90/572065290.db2.gz IMQGTLYDWXWYLY-NSHDSACASA-N 1 3 186.343 2.234 10 0 AEAEHO CNCCC[NH2+]CCCC(C)(C)C 300923987 572065579 /nfs/dbraw/zinc/06/55/79/572065579.db2.gz UFWQONVUZFOQCM-UHFFFAOYSA-N 1 3 186.343 2.012 10 0 AEAEHO CCCCN1CCC[C@@H]([C@@H](C)[NH2+]C)C1 82646485 572065883 /nfs/dbraw/zinc/06/58/83/572065883.db2.gz DXYJCQCBHHZCTB-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC)C1 82646485 572065885 /nfs/dbraw/zinc/06/58/85/572065885.db2.gz DXYJCQCBHHZCTB-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC)C1 82646485 572065888 /nfs/dbraw/zinc/06/58/88/572065888.db2.gz DXYJCQCBHHZCTB-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(CC)[N@H+](C)[C@@H]1CCC[C@@H]1CN 36788556 572066081 /nfs/dbraw/zinc/06/60/81/572066081.db2.gz INPXVYWEPZZFBM-ZYHUDNBSSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@@H]1CCC[C@@H]1CN 36788556 572066086 /nfs/dbraw/zinc/06/60/86/572066086.db2.gz INPXVYWEPZZFBM-ZYHUDNBSSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[NH2+][C@H](C)[C@H]1CCCN(C(C)C)C1 82646641 572066380 /nfs/dbraw/zinc/06/63/80/572066380.db2.gz YXAADTUAPXKLDR-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)[N@@H+](C)C[C@H]1CCCNC1 36789298 572067645 /nfs/dbraw/zinc/06/76/45/572067645.db2.gz FHYXJOFIPYGERE-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(CC)[N@H+](C)C[C@H]1CCCNC1 36789298 572067641 /nfs/dbraw/zinc/06/76/41/572067641.db2.gz FHYXJOFIPYGERE-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCN1CCC[C@H]([C@@H](C)[NH2+]C)C1 82646484 572067711 /nfs/dbraw/zinc/06/77/11/572067711.db2.gz DXYJCQCBHHZCTB-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC)C1 82646484 572067714 /nfs/dbraw/zinc/06/77/14/572067714.db2.gz DXYJCQCBHHZCTB-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@H+]1CCC[C@H]([C@@H](C)NC)C1 82646484 572067718 /nfs/dbraw/zinc/06/77/18/572067718.db2.gz DXYJCQCBHHZCTB-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(CC)[N@H+](C)[C@H](CC)CCN 36788586 572067934 /nfs/dbraw/zinc/06/79/34/572067934.db2.gz IMQGTLYDWXWYLY-LLVKDONJSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@H](CC)CCN 36788586 572067935 /nfs/dbraw/zinc/06/79/35/572067935.db2.gz IMQGTLYDWXWYLY-LLVKDONJSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC(CC)[N@H+](C)[C@H]1CCC[C@@H]1CN 36788557 572068027 /nfs/dbraw/zinc/06/80/27/572068027.db2.gz INPXVYWEPZZFBM-PWSUYJOCSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@H]1CCC[C@@H]1CN 36788557 572068028 /nfs/dbraw/zinc/06/80/28/572068028.db2.gz INPXVYWEPZZFBM-PWSUYJOCSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](C)[NH2+][C@@H]1CCNCC1(C)C 300926395 572069219 /nfs/dbraw/zinc/06/92/19/572069219.db2.gz ZGERKPYZXXDRLF-WDEREUQCSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[NH2+][C@@H](C)[C@@H]1CCCN(C(C)C)C1 82646638 572068375 /nfs/dbraw/zinc/06/83/75/572068375.db2.gz YXAADTUAPXKLDR-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)NC)C1 82646551 572069229 /nfs/dbraw/zinc/06/92/29/572069229.db2.gz MPMSDLNDPTZJES-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)NC)C1 82646551 572069231 /nfs/dbraw/zinc/06/92/31/572069231.db2.gz MPMSDLNDPTZJES-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1CN 36790003 572068680 /nfs/dbraw/zinc/06/86/80/572068680.db2.gz SVWQCQQAABNTSR-QJPTWQEYSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1CN 36790003 572068682 /nfs/dbraw/zinc/06/86/82/572068682.db2.gz SVWQCQQAABNTSR-QJPTWQEYSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[NH2+][C@H](C)[C@@H]1CCCN(C(C)C)C1 82646639 572068730 /nfs/dbraw/zinc/06/87/30/572068730.db2.gz YXAADTUAPXKLDR-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[N@@H+]1CCC[C@H]([C@@H](C)NC)C1 82646550 572068981 /nfs/dbraw/zinc/06/89/81/572068981.db2.gz MPMSDLNDPTZJES-UTUOFQBUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[N@H+]1CCC[C@H]([C@@H](C)NC)C1 82646550 572068984 /nfs/dbraw/zinc/06/89/84/572068984.db2.gz MPMSDLNDPTZJES-UTUOFQBUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)N1CCC[C@H]([C@@H](C)[NH2+]C)C1 82646550 572068988 /nfs/dbraw/zinc/06/89/88/572068988.db2.gz MPMSDLNDPTZJES-UTUOFQBUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)N1CCC[C@H]([C@@H](C)[NH2+]C)C1 82646551 572069233 /nfs/dbraw/zinc/06/92/33/572069233.db2.gz MPMSDLNDPTZJES-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@H](C)N(C)[C@@H](CC)CC(N)=[NH2+] 36790839 572069033 /nfs/dbraw/zinc/06/90/33/572069033.db2.gz MRVZJMRLEZBRMG-UWVGGRQHSA-N 1 3 199.342 2.211 10 0 AEAEHO CCC[C@@H](C)[NH2+][C@@H]1CCNCC1(C)C 300926389 572069197 /nfs/dbraw/zinc/06/91/97/572069197.db2.gz ZGERKPYZXXDRLF-GHMZBOCLSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCCN 82657651 572070151 /nfs/dbraw/zinc/07/01/51/572070151.db2.gz BJACJOHXRPRTID-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCCN 82657651 572070154 /nfs/dbraw/zinc/07/01/54/572070154.db2.gz BJACJOHXRPRTID-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)N(C)[C@@H](CC)CC(N)=[NH2+] 36790837 572070386 /nfs/dbraw/zinc/07/03/86/572070386.db2.gz MRVZJMRLEZBRMG-ZJUUUORDSA-N 1 3 199.342 2.211 10 0 AEAEHO CC[NH2+]C[C@H]1CCCN([C@H](C)CC)C1 82651685 572070579 /nfs/dbraw/zinc/07/05/79/572070579.db2.gz WUFFSLSWIFNNHZ-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCCN 82657650 572070915 /nfs/dbraw/zinc/07/09/15/572070915.db2.gz BJACJOHXRPRTID-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCN 82657650 572070917 /nfs/dbraw/zinc/07/09/17/572070917.db2.gz BJACJOHXRPRTID-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)[N@H+](C)[C@@H](CC)CCN 36790050 572071309 /nfs/dbraw/zinc/07/13/09/572071309.db2.gz PIXNJUIHHZIMNP-MNOVXSKESA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCCN 82657652 572071085 /nfs/dbraw/zinc/07/10/85/572071085.db2.gz BJACJOHXRPRTID-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCCN 82657652 572071087 /nfs/dbraw/zinc/07/10/87/572071087.db2.gz BJACJOHXRPRTID-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)[N@@H+](C)[C@@H](CC)CCN 36790050 572071312 /nfs/dbraw/zinc/07/13/12/572071312.db2.gz PIXNJUIHHZIMNP-MNOVXSKESA-N 1 3 186.343 2.234 10 0 AEAEHO CC[NH2+]C[C@H]1CCCN([C@@H](C)CC)C1 82651686 572071548 /nfs/dbraw/zinc/07/15/48/572071548.db2.gz WUFFSLSWIFNNHZ-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H]1CCCC[C@H]1[N@H+](C)CCCN 82657653 572071686 /nfs/dbraw/zinc/07/16/86/572071686.db2.gz BJACJOHXRPRTID-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H]1CCCC[C@H]1[N@@H+](C)CCCN 82657653 572071690 /nfs/dbraw/zinc/07/16/90/572071690.db2.gz BJACJOHXRPRTID-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCC[N@H+](C)C[C@H](N)CCC 36873650 572073307 /nfs/dbraw/zinc/07/33/07/572073307.db2.gz XJDCGVZGDGCTRR-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCCCC[N@@H+](C)C[C@H](N)CCC 36873650 572073310 /nfs/dbraw/zinc/07/33/10/572073310.db2.gz XJDCGVZGDGCTRR-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCCCCC[N@H+](CC)CCCN 36883447 572073726 /nfs/dbraw/zinc/07/37/26/572073726.db2.gz XVXTUZRAVIMXEU-UHFFFAOYSA-N 1 3 186.343 2.237 10 0 AEAEHO CCCCCC[N@@H+](CC)CCCN 36883447 572073728 /nfs/dbraw/zinc/07/37/28/572073728.db2.gz XVXTUZRAVIMXEU-UHFFFAOYSA-N 1 3 186.343 2.237 10 0 AEAEHO CCCCCCN(CC)CCC[NH3+] 36883447 572073730 /nfs/dbraw/zinc/07/37/30/572073730.db2.gz XVXTUZRAVIMXEU-UHFFFAOYSA-N 1 3 186.343 2.237 10 0 AEAEHO CCCCC[N@H+](CCC)CCCN 36883450 572074065 /nfs/dbraw/zinc/07/40/65/572074065.db2.gz FWDIZEQWSJBSLZ-UHFFFAOYSA-N 1 3 186.343 2.237 10 0 AEAEHO CCCCC[N@@H+](CCC)CCCN 36883450 572074067 /nfs/dbraw/zinc/07/40/67/572074067.db2.gz FWDIZEQWSJBSLZ-UHFFFAOYSA-N 1 3 186.343 2.237 10 0 AEAEHO CC[N@H+](CCCN)C1CCCCCC1 36883492 572074102 /nfs/dbraw/zinc/07/41/02/572074102.db2.gz ZCCAYWYMKOICKZ-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CC[N@@H+](CCCN)C1CCCCCC1 36883492 572074104 /nfs/dbraw/zinc/07/41/04/572074104.db2.gz ZCCAYWYMKOICKZ-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO C[NH2+]C(C)(C)CNCC1(C)CCCC1 82625858 572075058 /nfs/dbraw/zinc/07/50/58/572075058.db2.gz OMNYIDAKQFQKRS-UHFFFAOYSA-N 1 3 198.354 2.154 10 0 AEAEHO CCNCCC[NH2+]CC1(C)CCCC1 82625886 572075441 /nfs/dbraw/zinc/07/54/41/572075441.db2.gz ACUVPELBOIHNEW-UHFFFAOYSA-N 1 3 198.354 2.156 10 0 AEAEHO CCC[N@H+](CCCN)C1CCCCC1 36883456 572075474 /nfs/dbraw/zinc/07/54/74/572075474.db2.gz BCWDUOBUPGIWRH-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CCC[N@@H+](CCCN)C1CCCCC1 36883456 572075477 /nfs/dbraw/zinc/07/54/77/572075477.db2.gz BCWDUOBUPGIWRH-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CCC[N@H+](CCCN)CCC(C)C 36883451 572075814 /nfs/dbraw/zinc/07/58/14/572075814.db2.gz WFWYHOGRXXEFSG-UHFFFAOYSA-N 1 3 186.343 2.093 10 0 AEAEHO CCC[N@@H+](CCCN)CCC(C)C 36883451 572075817 /nfs/dbraw/zinc/07/58/17/572075817.db2.gz WFWYHOGRXXEFSG-UHFFFAOYSA-N 1 3 186.343 2.093 10 0 AEAEHO CCCCC[N@H+](C)C[C@@H](N)CCC 36873651 572075897 /nfs/dbraw/zinc/07/58/97/572075897.db2.gz XJDCGVZGDGCTRR-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCCCC[N@@H+](C)C[C@@H](N)CCC 36873651 572075899 /nfs/dbraw/zinc/07/58/99/572075899.db2.gz XJDCGVZGDGCTRR-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCC(CC)[C@@H](C)[NH+]1CCC(N)CC1 82633019 572076063 /nfs/dbraw/zinc/07/60/63/572076063.db2.gz QWXMHVLROVLACR-SNVBAGLBSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(CC)[C@@H](C)[N@@H+]1CC[C@H](CN)C1 82633099 572076761 /nfs/dbraw/zinc/07/67/61/572076761.db2.gz PRNLPMJWLDFSDF-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(CC)[C@@H](C)[N@H+]1CC[C@H](CN)C1 82633099 572076781 /nfs/dbraw/zinc/07/67/81/572076781.db2.gz PRNLPMJWLDFSDF-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(CC)[C@H](C)[NH2+]C1CCNCC1 82631177 572076875 /nfs/dbraw/zinc/07/68/75/572076875.db2.gz ZQYDRVOWAAGWLT-JTQLQIEISA-N 1 3 198.354 2.153 10 0 AEAEHO CCC(CC)[C@H](C)[NH+]1CCC(N)CC1 82633021 572076940 /nfs/dbraw/zinc/07/69/40/572076940.db2.gz QWXMHVLROVLACR-JTQLQIEISA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(CC)[C@H](C)[N@@H+]1CC[C@H](CN)C1 82633102 572076984 /nfs/dbraw/zinc/07/69/84/572076984.db2.gz PRNLPMJWLDFSDF-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(CC)[C@H](C)[N@H+]1CC[C@H](CN)C1 82633102 572076987 /nfs/dbraw/zinc/07/69/87/572076987.db2.gz PRNLPMJWLDFSDF-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(CC)[C@@H](C)[NH2+]C1CCNCC1 82631175 572077124 /nfs/dbraw/zinc/07/71/24/572077124.db2.gz ZQYDRVOWAAGWLT-SNVBAGLBSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCC[N@H+](CC)[C@@H](CC)CCN 36986757 572078081 /nfs/dbraw/zinc/07/80/81/572078081.db2.gz RESXQVGEOYNMGM-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCCC[N@@H+](CC)[C@@H](CC)CCN 36986757 572078082 /nfs/dbraw/zinc/07/80/82/572078082.db2.gz RESXQVGEOYNMGM-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCCCN(CC)[C@@H](CC)CC(N)=[NH2+] 36986979 572079336 /nfs/dbraw/zinc/07/93/36/572079336.db2.gz GSZUVAAJKDCUTD-JTQLQIEISA-N 1 3 199.342 2.213 10 0 AEAEHO CCCC[N@H+](CC)[C@H](CC)CCN 36986758 572079621 /nfs/dbraw/zinc/07/96/21/572079621.db2.gz RESXQVGEOYNMGM-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCCC[N@@H+](CC)[C@H](CC)CCN 36986758 572079623 /nfs/dbraw/zinc/07/96/23/572079623.db2.gz RESXQVGEOYNMGM-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[C@H](C)[N@H+](C)[C@@H]1CCCNCC1 82666716 572079688 /nfs/dbraw/zinc/07/96/88/572079688.db2.gz UPBMZAZKMCGPFC-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](C)[N@@H+](C)[C@@H]1CCCNCC1 82666716 572079691 /nfs/dbraw/zinc/07/96/91/572079691.db2.gz UPBMZAZKMCGPFC-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH+](CCC)[C@@H]1CCCNCC1 82666630 572079872 /nfs/dbraw/zinc/07/98/72/572079872.db2.gz IMIZGWOUNXSGIQ-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[C@@H](C)C[N@@H+]1CCC[C@H]([C@@H](C)N)C1 82645626 572080421 /nfs/dbraw/zinc/08/04/21/572080421.db2.gz XWBZBTUPGYJCRV-UTUOFQBUSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](C)C[N@H+]1CCC[C@H]([C@@H](C)N)C1 82645626 572080423 /nfs/dbraw/zinc/08/04/23/572080423.db2.gz XWBZBTUPGYJCRV-UTUOFQBUSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(CC)[N@H+](C)[C@@H]1CCCNCC1 82666711 572080137 /nfs/dbraw/zinc/08/01/37/572080137.db2.gz OUTXAGKMMFXXRZ-GFCCVEGCSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@@H]1CCCNCC1 82666711 572080139 /nfs/dbraw/zinc/08/01/39/572080139.db2.gz OUTXAGKMMFXXRZ-GFCCVEGCSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH+](CCC)[C@H]1CCCNCC1 82666631 572080796 /nfs/dbraw/zinc/08/07/96/572080796.db2.gz IMIZGWOUNXSGIQ-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[N@H+](C1CC1)[C@@H]1CCCNCC1 82669167 572081846 /nfs/dbraw/zinc/08/18/46/572081846.db2.gz DZFUALWGDBPIKN-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@@H+](C1CC1)[C@@H]1CCCNCC1 82669167 572081848 /nfs/dbraw/zinc/08/18/48/572081848.db2.gz DZFUALWGDBPIKN-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@H+](C(C)C)[C@@H]1CCCNCC1 82669169 572082535 /nfs/dbraw/zinc/08/25/35/572082535.db2.gz VQIGXOXZKHIURT-GFCCVEGCSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@@H]1CCCNCC1 82669169 572082537 /nfs/dbraw/zinc/08/25/37/572082537.db2.gz VQIGXOXZKHIURT-GFCCVEGCSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)[N@H+](CC)[C@@H]1CCCNCC1 82669165 572082553 /nfs/dbraw/zinc/08/25/53/572082553.db2.gz FBPUPOBYAOGMGR-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)[N@@H+](CC)[C@@H]1CCCNCC1 82669165 572082554 /nfs/dbraw/zinc/08/25/54/572082554.db2.gz FBPUPOBYAOGMGR-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](C)[N@H+](CC)[C@@H]1CCCNCC1 82669166 572082603 /nfs/dbraw/zinc/08/26/03/572082603.db2.gz FBPUPOBYAOGMGR-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)[C@@H]1CCCNCC1 82669166 572082605 /nfs/dbraw/zinc/08/26/05/572082605.db2.gz FBPUPOBYAOGMGR-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN(C)CC[C@H]([NH3+])c1ccccc1 37078994 572082893 /nfs/dbraw/zinc/08/28/93/572082893.db2.gz WUZAHGHHJIYSMZ-LBPRGKRZSA-N 1 3 192.306 2.028 10 0 AEAEHO CCN(C)CC[C@@H]([NH3+])c1ccccc1 37078995 572083305 /nfs/dbraw/zinc/08/33/05/572083305.db2.gz WUZAHGHHJIYSMZ-GFCCVEGCSA-N 1 3 192.306 2.028 10 0 AEAEHO CCC[N@H+](C(C)C)[C@H]1CCCNCC1 82669170 572083320 /nfs/dbraw/zinc/08/33/20/572083320.db2.gz VQIGXOXZKHIURT-LBPRGKRZSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@H]1CCCNCC1 82669170 572083324 /nfs/dbraw/zinc/08/33/24/572083324.db2.gz VQIGXOXZKHIURT-LBPRGKRZSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@H+](C1CC1)[C@H]1CCCNCC1 82669168 572083795 /nfs/dbraw/zinc/08/37/95/572083795.db2.gz DZFUALWGDBPIKN-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@@H+](C1CC1)[C@H]1CCCNCC1 82669168 572083797 /nfs/dbraw/zinc/08/37/97/572083797.db2.gz DZFUALWGDBPIKN-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H](CCN)[N@@H+]1CCCC[C@@H]1CC 37082858 572084516 /nfs/dbraw/zinc/08/45/16/572084516.db2.gz BWGVBMVDDOQEIQ-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H](CCN)[N@H+]1CCCC[C@@H]1CC 37082858 572084519 /nfs/dbraw/zinc/08/45/19/572084519.db2.gz BWGVBMVDDOQEIQ-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCC[C@@H](CC)CN1CC(C[NH3+])C1 84988226 572087712 /nfs/dbraw/zinc/08/77/12/572087712.db2.gz MJDPASVPBZVTIP-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CCCC[C@@H](CC)C[NH+]1CC(CN)C1 84988226 572087714 /nfs/dbraw/zinc/08/77/14/572087714.db2.gz MJDPASVPBZVTIP-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CCCC[C@H](CC)CN1CC(C[NH3+])C1 84988227 572087505 /nfs/dbraw/zinc/08/75/05/572087505.db2.gz MJDPASVPBZVTIP-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CCCC[C@H](CC)C[NH+]1CC(CN)C1 84988227 572087511 /nfs/dbraw/zinc/08/75/11/572087511.db2.gz MJDPASVPBZVTIP-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CCN(CC[C@@H]1CCCC[NH2+]1)C(C)C 37082390 572088049 /nfs/dbraw/zinc/08/80/49/572088049.db2.gz YFXMWHYXSSCSNM-LBPRGKRZSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[N@H+](CC[C@@H]1CCCCN1)C(C)C 37082390 572088051 /nfs/dbraw/zinc/08/80/51/572088051.db2.gz YFXMWHYXSSCSNM-LBPRGKRZSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[N@@H+](CC[C@@H]1CCCCN1)C(C)C 37082390 572088054 /nfs/dbraw/zinc/08/80/54/572088054.db2.gz YFXMWHYXSSCSNM-LBPRGKRZSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN(CC[C@H]1CCCC[NH2+]1)C(C)C 37082391 572088060 /nfs/dbraw/zinc/08/80/60/572088060.db2.gz YFXMWHYXSSCSNM-GFCCVEGCSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[N@H+](CC[C@H]1CCCCN1)C(C)C 37082391 572088073 /nfs/dbraw/zinc/08/80/73/572088073.db2.gz YFXMWHYXSSCSNM-GFCCVEGCSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[N@@H+](CC[C@H]1CCCCN1)C(C)C 37082391 572088075 /nfs/dbraw/zinc/08/80/75/572088075.db2.gz YFXMWHYXSSCSNM-GFCCVEGCSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](CCN)[N@@H+]1CCCC[C@H]1CC 37082857 572088103 /nfs/dbraw/zinc/08/81/03/572088103.db2.gz BWGVBMVDDOQEIQ-NEPJUHHUSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H](CCN)[N@H+]1CCCC[C@H]1CC 37082857 572088106 /nfs/dbraw/zinc/08/81/06/572088106.db2.gz BWGVBMVDDOQEIQ-NEPJUHHUSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCN(CC)CC[C@@H]1CCCC[NH2+]1 37095166 572089143 /nfs/dbraw/zinc/08/91/43/572089143.db2.gz MRAJNVDEZGFGMZ-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[N@H+](CC)CC[C@@H]1CCCCN1 37095166 572089146 /nfs/dbraw/zinc/08/91/46/572089146.db2.gz MRAJNVDEZGFGMZ-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[N@@H+](CC)CC[C@@H]1CCCCN1 37095166 572089149 /nfs/dbraw/zinc/08/91/49/572089149.db2.gz MRAJNVDEZGFGMZ-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[N@H+](C[C@@H]1CCCNC1)C(C)C 37096357 572089696 /nfs/dbraw/zinc/08/96/96/572089696.db2.gz ARAIYHRGKKZYCU-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@@H+](C[C@@H]1CCCNC1)C(C)C 37096357 572089699 /nfs/dbraw/zinc/08/96/99/572089699.db2.gz ARAIYHRGKKZYCU-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCN(CC)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 37094878 572090721 /nfs/dbraw/zinc/09/07/21/572090721.db2.gz KCAQLOMJQZSCJC-GRYCIOLGSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCN(CC)CC[C@H]1CCCC[NH2+]1 37095167 572091055 /nfs/dbraw/zinc/09/10/55/572091055.db2.gz MRAJNVDEZGFGMZ-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[N@H+](CC)CC[C@H]1CCCCN1 37095167 572091057 /nfs/dbraw/zinc/09/10/57/572091057.db2.gz MRAJNVDEZGFGMZ-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[N@@H+](CC)CC[C@H]1CCCCN1 37095167 572091061 /nfs/dbraw/zinc/09/10/61/572091061.db2.gz MRAJNVDEZGFGMZ-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[N@H+](C(C)C)[C@H](C)C[C@H](C)NC 250060467 572091447 /nfs/dbraw/zinc/09/14/47/572091447.db2.gz OXOJJKBMDGWYTJ-WDEREUQCSA-N 1 3 186.343 2.103 10 0 AEAEHO CC[N@@H+](C(C)C)[C@H](C)C[C@H](C)NC 250060467 572091449 /nfs/dbraw/zinc/09/14/49/572091449.db2.gz OXOJJKBMDGWYTJ-WDEREUQCSA-N 1 3 186.343 2.103 10 0 AEAEHO CCCN(C[C@H]([NH3+])C(C)(C)C)C1CC1 37097135 572091518 /nfs/dbraw/zinc/09/15/18/572091518.db2.gz MBRQVVUFUIDAAY-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@H+](C(C)C)[C@H](CC)CCN 37095661 572091664 /nfs/dbraw/zinc/09/16/64/572091664.db2.gz KDEQUBZIXHDRPY-LLVKDONJSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@H](CC)CCN 37095661 572091667 /nfs/dbraw/zinc/09/16/67/572091667.db2.gz KDEQUBZIXHDRPY-LLVKDONJSA-N 1 3 186.343 2.234 10 0 AEAEHO CC(C)CN(C)CC[C@H]1CCCC[NH2+]1 37108667 572094884 /nfs/dbraw/zinc/09/48/84/572094884.db2.gz ZKIQKJDIEPHLOX-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)C[N@H+](C)CC[C@H]1CCCCN1 37108667 572094886 /nfs/dbraw/zinc/09/48/86/572094886.db2.gz ZKIQKJDIEPHLOX-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)C[N@@H+](C)CC[C@H]1CCCCN1 37108667 572094888 /nfs/dbraw/zinc/09/48/88/572094888.db2.gz ZKIQKJDIEPHLOX-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)CN(C)CC[C@@H]1CCCC[NH2+]1 37108666 572095237 /nfs/dbraw/zinc/09/52/37/572095237.db2.gz ZKIQKJDIEPHLOX-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)C[N@H+](C)CC[C@@H]1CCCCN1 37108666 572095239 /nfs/dbraw/zinc/09/52/39/572095239.db2.gz ZKIQKJDIEPHLOX-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)C[N@@H+](C)CC[C@@H]1CCCCN1 37108666 572095240 /nfs/dbraw/zinc/09/52/40/572095240.db2.gz ZKIQKJDIEPHLOX-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](CCN)[N@H+](CC)CC(C)C 37111008 572096653 /nfs/dbraw/zinc/09/66/53/572096653.db2.gz HWXAONXEEPPGKL-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H](CCN)[N@@H+](CC)CC(C)C 37111008 572096655 /nfs/dbraw/zinc/09/66/55/572096655.db2.gz HWXAONXEEPPGKL-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](C)[N@H+](CC)[C@@H](CC)CCN 37112426 572096738 /nfs/dbraw/zinc/09/67/38/572096738.db2.gz ZAFSRMBYNOMLGY-QWRGUYRKSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)[C@@H](CC)CCN 37112426 572096742 /nfs/dbraw/zinc/09/67/42/572096742.db2.gz ZAFSRMBYNOMLGY-QWRGUYRKSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@H](C)N(C)CC[C@@H]1CCCC[NH2+]1 37110361 572097792 /nfs/dbraw/zinc/09/77/92/572097792.db2.gz JWGAZIHOPKJHIO-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](C)[N@H+](C)CC[C@@H]1CCCCN1 37110361 572097793 /nfs/dbraw/zinc/09/77/93/572097793.db2.gz JWGAZIHOPKJHIO-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](C)[N@@H+](C)CC[C@@H]1CCCCN1 37110361 572097798 /nfs/dbraw/zinc/09/77/98/572097798.db2.gz JWGAZIHOPKJHIO-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)N(C)CC[C@@H]1CCCC[NH2+]1 37110360 572097827 /nfs/dbraw/zinc/09/78/27/572097827.db2.gz JWGAZIHOPKJHIO-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)[N@H+](C)CC[C@@H]1CCCCN1 37110360 572097830 /nfs/dbraw/zinc/09/78/30/572097830.db2.gz JWGAZIHOPKJHIO-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)[N@@H+](C)CC[C@@H]1CCCCN1 37110360 572097834 /nfs/dbraw/zinc/09/78/34/572097834.db2.gz JWGAZIHOPKJHIO-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](CCN)[N@H+](CC)CC(C)C 37111009 572098787 /nfs/dbraw/zinc/09/87/87/572098787.db2.gz HWXAONXEEPPGKL-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](CCN)[N@@H+](CC)CC(C)C 37111009 572098791 /nfs/dbraw/zinc/09/87/91/572098791.db2.gz HWXAONXEEPPGKL-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[N@H+](CC(C)C)[C@H]1CCC[C@@H]1CN 37159688 572101736 /nfs/dbraw/zinc/10/17/36/572101736.db2.gz SNNMRWFNHZHSGQ-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](CC(C)C)[C@H]1CCC[C@@H]1CN 37159688 572101740 /nfs/dbraw/zinc/10/17/40/572101740.db2.gz SNNMRWFNHZHSGQ-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1CN 37159635 572101773 /nfs/dbraw/zinc/10/17/73/572101773.db2.gz UFFOQEGLIHSHSL-QJPTWQEYSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1CN 37159635 572101776 /nfs/dbraw/zinc/10/17/76/572101776.db2.gz UFFOQEGLIHSHSL-QJPTWQEYSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@H+](C(C)C)[C@H]1CCC[C@@H]1CN 37159467 572102484 /nfs/dbraw/zinc/10/24/84/572102484.db2.gz PVEQBKXYGPZMKM-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H]1CC[C@@H](CN)[C@H]([N@H+](C)CC)C1 37159128 572101941 /nfs/dbraw/zinc/10/19/41/572101941.db2.gz BTEWHMPBXCEUNK-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H]1CC[C@@H](CN)[C@H]([N@@H+](C)CC)C1 37159128 572101944 /nfs/dbraw/zinc/10/19/44/572101944.db2.gz BTEWHMPBXCEUNK-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[NH+](CC)[C@@H]1C[C@@H](C)CC[C@@H]1CN 37157027 572101957 /nfs/dbraw/zinc/10/19/57/572101957.db2.gz HCNVLCGSLSFHHH-QJPTWQEYSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@H+](CC(C)C)[C@@H]1CCC[C@@H]1CN 37159686 572102015 /nfs/dbraw/zinc/10/20/15/572102015.db2.gz SNNMRWFNHZHSGQ-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](CC(C)C)[C@@H]1CCC[C@@H]1CN 37159686 572102019 /nfs/dbraw/zinc/10/20/19/572102019.db2.gz SNNMRWFNHZHSGQ-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[N@H+](CC)[C@H]1CCCC[C@@H]1CN 37159425 572102052 /nfs/dbraw/zinc/10/20/52/572102052.db2.gz DCFXGHYTFMKXJP-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+](CC)[C@H]1CCCC[C@@H]1CN 37159425 572102055 /nfs/dbraw/zinc/10/20/55/572102055.db2.gz DCFXGHYTFMKXJP-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)C[N@H+](C)[C@H]1CCCC[C@@H]1CN 37159593 572102103 /nfs/dbraw/zinc/10/21/03/572102103.db2.gz CUKKYGPMSCTJHK-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[N@@H+](C)[C@H]1CCCC[C@@H]1CN 37159593 572102106 /nfs/dbraw/zinc/10/21/06/572102106.db2.gz CUKKYGPMSCTJHK-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[N@H+](C)[C@@H]1CCCC[C@@H]1CN 37159591 572102142 /nfs/dbraw/zinc/10/21/42/572102142.db2.gz CUKKYGPMSCTJHK-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[N@@H+](C)[C@@H]1CCCC[C@@H]1CN 37159591 572102145 /nfs/dbraw/zinc/10/21/45/572102145.db2.gz CUKKYGPMSCTJHK-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[NH+](CC)[C@@H]1C[C@H](C)CC[C@@H]1CN 37157023 572102199 /nfs/dbraw/zinc/10/21/99/572102199.db2.gz HCNVLCGSLSFHHH-IJLUTSLNSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[N@H+](C)[C@H]1CCCCC[C@@H]1CN 37159538 572102207 /nfs/dbraw/zinc/10/22/07/572102207.db2.gz KTWOVKNIPNIDJU-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+](C)[C@H]1CCCCC[C@@H]1CN 37159538 572102209 /nfs/dbraw/zinc/10/22/09/572102209.db2.gz KTWOVKNIPNIDJU-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[NH+](CCC)[C@H]1CCC[C@H]1CN 37157666 572102221 /nfs/dbraw/zinc/10/22/21/572102221.db2.gz BHANQMUKEKPUKX-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[NH+](CCC)[C@@H]1CCC[C@@H]1CN 37157660 572102243 /nfs/dbraw/zinc/10/22/43/572102243.db2.gz BHANQMUKEKPUKX-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H]1CC[C@H](CN)[C@H]([NH+](C)C)C1 37158275 572102280 /nfs/dbraw/zinc/10/22/80/572102280.db2.gz KIJFRIGYJMTRCV-IJLUTSLNSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)C)C1 37158275 572102282 /nfs/dbraw/zinc/10/22/82/572102282.db2.gz KIJFRIGYJMTRCV-IJLUTSLNSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)[N@H+](CC)[C@@H]1CCC[C@@H]1CN 37159732 572102312 /nfs/dbraw/zinc/10/23/12/572102312.db2.gz FUEPOFPNXLFPGH-QJPTWQEYSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)[C@@H]1CCC[C@@H]1CN 37159732 572102316 /nfs/dbraw/zinc/10/23/16/572102316.db2.gz FUEPOFPNXLFPGH-QJPTWQEYSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCC[N@H+](CC)[C@H]1CCC[C@@H]1CN 37158548 572102448 /nfs/dbraw/zinc/10/24/48/572102448.db2.gz RCRIEAVOUXEZSD-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@@H+](CC)[C@H]1CCC[C@@H]1CN 37158548 572102450 /nfs/dbraw/zinc/10/24/50/572102450.db2.gz RCRIEAVOUXEZSD-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@H+](CC)[C@@H]1CCC[C@@H]1CN 37158546 572102466 /nfs/dbraw/zinc/10/24/66/572102466.db2.gz RCRIEAVOUXEZSD-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@@H+](CC)[C@@H]1CCC[C@@H]1CN 37158546 572102468 /nfs/dbraw/zinc/10/24/68/572102468.db2.gz RCRIEAVOUXEZSD-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@H]1CCC[C@@H]1CN 37159467 572102488 /nfs/dbraw/zinc/10/24/88/572102488.db2.gz PVEQBKXYGPZMKM-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@@H]1CC[C@@H](CN)[C@H]([NH+](C)C)C1 37158279 572102500 /nfs/dbraw/zinc/10/25/00/572102500.db2.gz KIJFRIGYJMTRCV-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](N(C)C)C1 37158279 572102503 /nfs/dbraw/zinc/10/25/03/572102503.db2.gz KIJFRIGYJMTRCV-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[N@H+](CC)[C@@H]1CCCC[C@@H]1CN 37159423 572102518 /nfs/dbraw/zinc/10/25/18/572102518.db2.gz DCFXGHYTFMKXJP-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+](CC)[C@@H]1CCCC[C@@H]1CN 37159423 572102521 /nfs/dbraw/zinc/10/25/21/572102521.db2.gz DCFXGHYTFMKXJP-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@H+](C(C)C)[C@@H]1CCC[C@@H]1CN 37159465 572102543 /nfs/dbraw/zinc/10/25/43/572102543.db2.gz PVEQBKXYGPZMKM-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@@H]1CCC[C@@H]1CN 37159465 572102547 /nfs/dbraw/zinc/10/25/47/572102547.db2.gz PVEQBKXYGPZMKM-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[NH+](CCC)[C@H]1CCC[C@@H]1CN 37157662 572102620 /nfs/dbraw/zinc/10/26/20/572102620.db2.gz BHANQMUKEKPUKX-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[NH+](CCC)[C@@H]1CCC[C@H]1CN 37157664 572102659 /nfs/dbraw/zinc/10/26/59/572102659.db2.gz BHANQMUKEKPUKX-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@H+](C)[C@@H]1CCCCC[C@@H]1CN 37159536 572102727 /nfs/dbraw/zinc/10/27/27/572102727.db2.gz KTWOVKNIPNIDJU-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+](C)[C@@H]1CCCCC[C@@H]1CN 37159536 572102730 /nfs/dbraw/zinc/10/27/30/572102730.db2.gz KTWOVKNIPNIDJU-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1CN 37159532 572102785 /nfs/dbraw/zinc/10/27/85/572102785.db2.gz QQRQZAHNFJTHIB-IJLUTSLNSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1CN 37159532 572102789 /nfs/dbraw/zinc/10/27/89/572102789.db2.gz QQRQZAHNFJTHIB-IJLUTSLNSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@H+](C)CC)C1 37159124 572102795 /nfs/dbraw/zinc/10/27/95/572102795.db2.gz BTEWHMPBXCEUNK-IJLUTSLNSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@@H+](C)CC)C1 37159124 572102798 /nfs/dbraw/zinc/10/27/98/572102798.db2.gz BTEWHMPBXCEUNK-IJLUTSLNSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](CC(N)=[NH2+])N(C)C[C@H](C)CC 37173352 572103729 /nfs/dbraw/zinc/10/37/29/572103729.db2.gz NXOJRUWTWFGPQJ-ZJUUUORDSA-N 1 3 199.342 2.069 10 0 AEAEHO CC[C@H](C)CN(C)[C@@H](CC)CC(N)=[NH2+] 37173353 572104070 /nfs/dbraw/zinc/10/40/70/572104070.db2.gz NXOJRUWTWFGPQJ-UWVGGRQHSA-N 1 3 199.342 2.069 10 0 AEAEHO CC(C)[N@@H+](CC1CC1)[C@@H](C)C[C@@H](C)N 82801980 572105314 /nfs/dbraw/zinc/10/53/14/572105314.db2.gz GMFQCEHCICMHBN-MNOVXSKESA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)[N@H+](CC1CC1)[C@@H](C)C[C@@H](C)N 82801980 572105318 /nfs/dbraw/zinc/10/53/18/572105318.db2.gz GMFQCEHCICMHBN-MNOVXSKESA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)[N@@H+](CC1CC1)[C@H](C)C[C@@H](C)N 82801981 572105358 /nfs/dbraw/zinc/10/53/58/572105358.db2.gz GMFQCEHCICMHBN-GHMZBOCLSA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)[N@H+](CC1CC1)[C@H](C)C[C@@H](C)N 82801981 572105363 /nfs/dbraw/zinc/10/53/63/572105363.db2.gz GMFQCEHCICMHBN-GHMZBOCLSA-N 1 3 198.354 2.233 10 0 AEAEHO NC1(CC[NH2+]C2CCCC2)CCCC1 82773060 572107503 /nfs/dbraw/zinc/10/75/03/572107503.db2.gz GJXVMDHAVRJDMQ-UHFFFAOYSA-N 1 3 196.338 2.180 10 0 AEAEHO CCN(CC)CCC1([NH3+])CCCCC1 82772809 572107470 /nfs/dbraw/zinc/10/74/70/572107470.db2.gz JXAIDKUFPFSZDI-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO C[C@H]1C[C@@H]1NCCC1([NH3+])CCCCC1 82773345 572106699 /nfs/dbraw/zinc/10/66/99/572106699.db2.gz RFPIOPREAVXNAL-QWRGUYRKSA-N 1 3 196.338 2.036 10 0 AEAEHO C[N@H+](CCC(C)(C)N)C1CCCCC1 82772841 572106706 /nfs/dbraw/zinc/10/67/06/572106706.db2.gz DEUVQFSPWWKNIT-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO C[N@@H+](CCC(C)(C)N)C1CCCCC1 82772841 572106709 /nfs/dbraw/zinc/10/67/09/572106709.db2.gz DEUVQFSPWWKNIT-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO CN(CCC(C)(C)[NH3+])C1CCCCC1 82772841 572106711 /nfs/dbraw/zinc/10/67/11/572106711.db2.gz DEUVQFSPWWKNIT-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO CC(C)(N)CC[NH2+]CC1(C)CCCC1 82773435 572106763 /nfs/dbraw/zinc/10/67/63/572106763.db2.gz JNJXKONNNGAKIN-UHFFFAOYSA-N 1 3 198.354 2.284 10 0 AEAEHO C[C@H]1C[C@H]1NCCC1([NH3+])CCCCC1 82773347 572106766 /nfs/dbraw/zinc/10/67/66/572106766.db2.gz RFPIOPREAVXNAL-WDEREUQCSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@@H](C)[NH2+]CCC1(N)CCCCC1 82773052 572106795 /nfs/dbraw/zinc/10/67/95/572106795.db2.gz YMPYBWDKHKEGPT-LLVKDONJSA-N 1 3 198.354 2.426 10 0 AEAEHO CC1(C)C[C@@H]1NCCC1([NH3+])CCCC1 82773282 572106834 /nfs/dbraw/zinc/10/68/34/572106834.db2.gz YYCSBTZYXUGGNR-JTQLQIEISA-N 1 3 196.338 2.036 10 0 AEAEHO CC(C)(C)C[NH2+]CCC1(N)CCCC1 82773086 572106909 /nfs/dbraw/zinc/10/69/09/572106909.db2.gz RCKHPIYFRHOYTH-UHFFFAOYSA-N 1 3 198.354 2.284 10 0 AEAEHO C[C@@H]1CCCC[C@@]1(N)[C@H]1CCCC[NH2+]1 687783857 572108132 /nfs/dbraw/zinc/10/81/32/572108132.db2.gz QRMYDOUBRFSVIQ-UTUOFQBUSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@@H]1CCCC[C@@]1([NH3+])[C@H]1CCCCN1 687783857 572108133 /nfs/dbraw/zinc/10/81/33/572108133.db2.gz QRMYDOUBRFSVIQ-UTUOFQBUSA-N 1 3 196.338 2.036 10 0 AEAEHO CC(C)[C@H](C)[N@H+](C)CCC(C)(C)N 82772971 572108134 /nfs/dbraw/zinc/10/81/34/572108134.db2.gz OJHVIYGATYRSSS-JTQLQIEISA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)[C@H](C)[N@@H+](C)CCC(C)(C)N 82772971 572108135 /nfs/dbraw/zinc/10/81/35/572108135.db2.gz OJHVIYGATYRSSS-JTQLQIEISA-N 1 3 186.343 2.090 10 0 AEAEHO CCCCCN(C)CCC(C)(C)[NH3+] 82772920 572107193 /nfs/dbraw/zinc/10/71/93/572107193.db2.gz JPFPDLHTGKHJHD-UHFFFAOYSA-N 1 3 186.343 2.236 10 0 AEAEHO CC(C)[C@H](C)N(C)CCC(C)(C)[NH3+] 82772971 572108138 /nfs/dbraw/zinc/10/81/38/572108138.db2.gz OJHVIYGATYRSSS-JTQLQIEISA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@H]1CCCC[N@H+]1CCC(C)(C)N 82772885 572107228 /nfs/dbraw/zinc/10/72/28/572107228.db2.gz ZBKAXEZZELRWEJ-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CC(C)C[NH2+]CCC1(N)CCCCC1 82773059 572107239 /nfs/dbraw/zinc/10/72/39/572107239.db2.gz PSBNMIIBDSZDKX-UHFFFAOYSA-N 1 3 198.354 2.284 10 0 AEAEHO CC[C@@H](C)[N@H+](CC)CCC(C)(C)N 82772915 572107249 /nfs/dbraw/zinc/10/72/49/572107249.db2.gz VVZXSKKBXPCIEO-SNVBAGLBSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@@H](C)[N@@H+](CC)CCC(C)(C)N 82772915 572107251 /nfs/dbraw/zinc/10/72/51/572107251.db2.gz VVZXSKKBXPCIEO-SNVBAGLBSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@@H](C)N(CC)CCC(C)(C)[NH3+] 82772915 572107254 /nfs/dbraw/zinc/10/72/54/572107254.db2.gz VVZXSKKBXPCIEO-SNVBAGLBSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@H]1CCCC[N@@H+]1CCC(C)(C)N 82772885 572107216 /nfs/dbraw/zinc/10/72/16/572107216.db2.gz ZBKAXEZZELRWEJ-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CC(C)N(C)CCC1([NH3+])CCCCC1 82772844 572107307 /nfs/dbraw/zinc/10/73/07/572107307.db2.gz GCIAARWAWLLWDZ-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H]1CCC[N@H+](CCC(C)(C)N)C1 82772987 572107442 /nfs/dbraw/zinc/10/74/42/572107442.db2.gz QFFTZHYJNHHWAW-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H]1CCC[N@@H+](CCC(C)(C)N)C1 82772987 572107444 /nfs/dbraw/zinc/10/74/44/572107444.db2.gz QFFTZHYJNHHWAW-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H]1CCCN(CCC(C)(C)[NH3+])C1 82772987 572107446 /nfs/dbraw/zinc/10/74/46/572107446.db2.gz QFFTZHYJNHHWAW-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[N@H+](CCC(C)(C)N)C1CCCC1 82772944 572107557 /nfs/dbraw/zinc/10/75/57/572107557.db2.gz LXZPAULJZJFRRL-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[N@@H+](CCC(C)(C)N)C1CCCC1 82772944 572107560 /nfs/dbraw/zinc/10/75/60/572107560.db2.gz LXZPAULJZJFRRL-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCN(C)CCC1([NH3+])CCCCC1 82772900 572107723 /nfs/dbraw/zinc/10/77/23/572107723.db2.gz UQQAXHFWOUWUNX-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CCC[C@@H](CNCC)[N@@H+]1CCC[C@H]1C 251127710 572107883 /nfs/dbraw/zinc/10/78/83/572107883.db2.gz JFCDDDIOEWQMGQ-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@@H](CNCC)[N@H+]1CCC[C@H]1C 251127710 572107889 /nfs/dbraw/zinc/10/78/89/572107889.db2.gz JFCDDDIOEWQMGQ-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H]1CCCC[N@@H+]1CCC(C)(C)N 82772884 572107979 /nfs/dbraw/zinc/10/79/79/572107979.db2.gz ZBKAXEZZELRWEJ-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H]1CCCC[N@H+]1CCC(C)(C)N 82772884 572107981 /nfs/dbraw/zinc/10/79/81/572107981.db2.gz ZBKAXEZZELRWEJ-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[N@H+](CCC(C)(C)N)CC(C)C 82772911 572108374 /nfs/dbraw/zinc/10/83/74/572108374.db2.gz CMYCHRIJGJBHKP-UHFFFAOYSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[N@@H+](CCC(C)(C)N)CC(C)C 82772911 572108377 /nfs/dbraw/zinc/10/83/77/572108377.db2.gz CMYCHRIJGJBHKP-UHFFFAOYSA-N 1 3 186.343 2.092 10 0 AEAEHO CCN(CCC(C)(C)[NH3+])CC(C)C 82772911 572108380 /nfs/dbraw/zinc/10/83/80/572108380.db2.gz CMYCHRIJGJBHKP-UHFFFAOYSA-N 1 3 186.343 2.092 10 0 AEAEHO C[NH2+]C1CCN([C@@H](C)CC(C)C)CC1 37264983 572108521 /nfs/dbraw/zinc/10/85/21/572108521.db2.gz ZHUAXAKNAQPIIV-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CNC1CC[NH+]([C@@H](C)CC(C)C)CC1 37264983 572108524 /nfs/dbraw/zinc/10/85/24/572108524.db2.gz ZHUAXAKNAQPIIV-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CC1(C)C[C@H]1NCCC1([NH3+])CCCC1 82773283 572108587 /nfs/dbraw/zinc/10/85/87/572108587.db2.gz YYCSBTZYXUGGNR-SNVBAGLBSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@@H](C)C[NH2+]CCC1(N)CCCC1 82773355 572108593 /nfs/dbraw/zinc/10/85/93/572108593.db2.gz NTAKJNGXFSFCLU-LLVKDONJSA-N 1 3 198.354 2.284 10 0 AEAEHO CC[C@H](C)[NH2+]CCC1(N)CCCC1 82773049 572108605 /nfs/dbraw/zinc/10/86/05/572108605.db2.gz WVUVYZUZMCFJAG-JTQLQIEISA-N 1 3 184.327 2.036 10 0 AEAEHO CC[C@H](C)[NH2+]CCC1(N)CCCCC1 82773053 572108689 /nfs/dbraw/zinc/10/86/89/572108689.db2.gz YMPYBWDKHKEGPT-NSHDSACASA-N 1 3 198.354 2.426 10 0 AEAEHO CC(C)CCN(C)CCC(C)(C)[NH3+] 82773122 572108706 /nfs/dbraw/zinc/10/87/06/572108706.db2.gz DTDZFJVLGGSUQH-UHFFFAOYSA-N 1 3 186.343 2.092 10 0 AEAEHO CCN(CCC1([NH3+])CCCC1)C1CC1 82772873 572108765 /nfs/dbraw/zinc/10/87/65/572108765.db2.gz HLHAUTSQWVTPDQ-UHFFFAOYSA-N 1 3 196.338 2.132 10 0 AEAEHO CC(C)[N@H+](CCC(C)(C)N)CC1CC1 82773220 572108789 /nfs/dbraw/zinc/10/87/89/572108789.db2.gz JFDPORQRNJCPIF-UHFFFAOYSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@@H+](CCC(C)(C)N)CC1CC1 82773220 572108792 /nfs/dbraw/zinc/10/87/92/572108792.db2.gz JFDPORQRNJCPIF-UHFFFAOYSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@H+](CCC(C)(C)N)C(C)C 82772893 572108977 /nfs/dbraw/zinc/10/89/77/572108977.db2.gz CJPPYMFPURSENL-UHFFFAOYSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[N@@H+](CCC(C)(C)N)C(C)C 82772893 572108980 /nfs/dbraw/zinc/10/89/80/572108980.db2.gz CJPPYMFPURSENL-UHFFFAOYSA-N 1 3 186.343 2.234 10 0 AEAEHO C[C@@H]1CCCC[C@]1(N)[C@H]1CCCC[NH2+]1 687783856 572109243 /nfs/dbraw/zinc/10/92/43/572109243.db2.gz QRMYDOUBRFSVIQ-IJLUTSLNSA-N 1 3 196.338 2.036 10 0 AEAEHO CCCN(CCC(C)(C)[NH3+])C(C)C 82772893 572108984 /nfs/dbraw/zinc/10/89/84/572108984.db2.gz CJPPYMFPURSENL-UHFFFAOYSA-N 1 3 186.343 2.234 10 0 AEAEHO C[C@@H]1CCCC[C@@]1(N)[C@@H]1CCCC[NH2+]1 687783858 572109216 /nfs/dbraw/zinc/10/92/16/572109216.db2.gz QRMYDOUBRFSVIQ-WOPDTQHZSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@@H]1CCCC[C@@]1([NH3+])[C@@H]1CCCCN1 687783858 572109219 /nfs/dbraw/zinc/10/92/19/572109219.db2.gz QRMYDOUBRFSVIQ-WOPDTQHZSA-N 1 3 196.338 2.036 10 0 AEAEHO CN(CCC1([NH3+])CCCCC1)C1CC1 82772878 572109245 /nfs/dbraw/zinc/10/92/45/572109245.db2.gz KZCVZXMRCFIFGE-UHFFFAOYSA-N 1 3 196.338 2.132 10 0 AEAEHO C[C@@H]1CCCC[C@]1([NH3+])[C@H]1CCCCN1 687783856 572109246 /nfs/dbraw/zinc/10/92/46/572109246.db2.gz QRMYDOUBRFSVIQ-IJLUTSLNSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@@H]1CCCC[C@]1(N)[C@@H]1CCCC[NH2+]1 687783855 572109257 /nfs/dbraw/zinc/10/92/57/572109257.db2.gz QRMYDOUBRFSVIQ-GRYCIOLGSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@@H]1CCCC[C@]1([NH3+])[C@@H]1CCCCN1 687783855 572109259 /nfs/dbraw/zinc/10/92/59/572109259.db2.gz QRMYDOUBRFSVIQ-GRYCIOLGSA-N 1 3 196.338 2.036 10 0 AEAEHO CC(C)(C)[NH2+]CCC1(N)CCCC1 82773040 572109340 /nfs/dbraw/zinc/10/93/40/572109340.db2.gz LONNWCWXARJSIM-UHFFFAOYSA-N 1 3 184.327 2.036 10 0 AEAEHO CC(C)(C)NCCC1([NH3+])CCCC1 82773040 572109342 /nfs/dbraw/zinc/10/93/42/572109342.db2.gz LONNWCWXARJSIM-UHFFFAOYSA-N 1 3 184.327 2.036 10 0 AEAEHO CC(C)[C@@H](C)[N@H+](C)CCC(C)(C)N 82772970 572109443 /nfs/dbraw/zinc/10/94/43/572109443.db2.gz OJHVIYGATYRSSS-SNVBAGLBSA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)[C@@H](C)[N@@H+](C)CCC(C)(C)N 82772970 572109445 /nfs/dbraw/zinc/10/94/45/572109445.db2.gz OJHVIYGATYRSSS-SNVBAGLBSA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)[C@@H](C)N(C)CCC(C)(C)[NH3+] 82772970 572109449 /nfs/dbraw/zinc/10/94/49/572109449.db2.gz OJHVIYGATYRSSS-SNVBAGLBSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@@H](C)[NH2+]CCC1(N)CCCC1 82773048 572109602 /nfs/dbraw/zinc/10/96/02/572109602.db2.gz WVUVYZUZMCFJAG-SNVBAGLBSA-N 1 3 184.327 2.036 10 0 AEAEHO C[C@@H]1C[C@@H]1NCCC1([NH3+])CCCCC1 82773344 572109703 /nfs/dbraw/zinc/10/97/03/572109703.db2.gz RFPIOPREAVXNAL-MNOVXSKESA-N 1 3 196.338 2.036 10 0 AEAEHO CCCC[NH2+]CCC1(N)CCCCC1 82773076 572109723 /nfs/dbraw/zinc/10/97/23/572109723.db2.gz KUBAJAULXPQSGC-UHFFFAOYSA-N 1 3 198.354 2.428 10 0 AEAEHO CCCCNCCC1([NH3+])CCCCC1 82773076 572109726 /nfs/dbraw/zinc/10/97/26/572109726.db2.gz KUBAJAULXPQSGC-UHFFFAOYSA-N 1 3 198.354 2.428 10 0 AEAEHO CC[C@H](C)[N@H+](CC)CCC(C)(C)N 82772916 572109736 /nfs/dbraw/zinc/10/97/36/572109736.db2.gz VVZXSKKBXPCIEO-JTQLQIEISA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)CCC(C)(C)N 82772916 572109739 /nfs/dbraw/zinc/10/97/39/572109739.db2.gz VVZXSKKBXPCIEO-JTQLQIEISA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@H](C)N(CC)CCC(C)(C)[NH3+] 82772916 572109743 /nfs/dbraw/zinc/10/97/43/572109743.db2.gz VVZXSKKBXPCIEO-JTQLQIEISA-N 1 3 186.343 2.234 10 0 AEAEHO CCC(CC)[N@H+](C)CCC(C)(C)N 82772975 572109880 /nfs/dbraw/zinc/10/98/80/572109880.db2.gz ZHXRQKFSVOUTJW-UHFFFAOYSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC(CC)[N@@H+](C)CCC(C)(C)N 82772975 572109882 /nfs/dbraw/zinc/10/98/82/572109882.db2.gz ZHXRQKFSVOUTJW-UHFFFAOYSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC(CC)N(C)CCC(C)(C)[NH3+] 82772975 572109885 /nfs/dbraw/zinc/10/98/85/572109885.db2.gz ZHXRQKFSVOUTJW-UHFFFAOYSA-N 1 3 186.343 2.234 10 0 AEAEHO CCCC[NH2+]CCC1(N)CCCC1 82773074 572109890 /nfs/dbraw/zinc/10/98/90/572109890.db2.gz QAPVABFYARCLQA-UHFFFAOYSA-N 1 3 184.327 2.038 10 0 AEAEHO CCCCNCCC1([NH3+])CCCC1 82773074 572109895 /nfs/dbraw/zinc/10/98/95/572109895.db2.gz QAPVABFYARCLQA-UHFFFAOYSA-N 1 3 184.327 2.038 10 0 AEAEHO C[C@@H]1C[C@H]1NCCC1([NH3+])CCCCC1 82773346 572109902 /nfs/dbraw/zinc/10/99/02/572109902.db2.gz RFPIOPREAVXNAL-GHMZBOCLSA-N 1 3 196.338 2.036 10 0 AEAEHO CCCCN(CCC(C)(C)[NH3+])C1CC1 82773149 572109987 /nfs/dbraw/zinc/10/99/87/572109987.db2.gz SKTQRYOLYOIHIA-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO NC1(CC[NH2+]CC2CC2)CCCCC1 82773071 572109996 /nfs/dbraw/zinc/10/99/96/572109996.db2.gz OUUUIXADUOEWAH-UHFFFAOYSA-N 1 3 196.338 2.038 10 0 AEAEHO CC(C)(C)[NH2+]CCC1(N)CCCCC1 82773041 572110007 /nfs/dbraw/zinc/11/00/07/572110007.db2.gz VTVYYTGHJCJJEV-UHFFFAOYSA-N 1 3 198.354 2.426 10 0 AEAEHO CC(C)(C)NCCC1([NH3+])CCCCC1 82773041 572110010 /nfs/dbraw/zinc/11/00/10/572110010.db2.gz VTVYYTGHJCJJEV-UHFFFAOYSA-N 1 3 198.354 2.426 10 0 AEAEHO CC(C)(N)CC[NH2+]C1(C)CCCCC1 82773276 572110081 /nfs/dbraw/zinc/11/00/81/572110081.db2.gz AQMCWOKDLWLCEJ-UHFFFAOYSA-N 1 3 198.354 2.426 10 0 AEAEHO CC[C@H]1CCC[N@H+](CCC(C)(C)N)C1 82772988 572110088 /nfs/dbraw/zinc/11/00/88/572110088.db2.gz QFFTZHYJNHHWAW-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H]1CCC[N@@H+](CCC(C)(C)N)C1 82772988 572110090 /nfs/dbraw/zinc/11/00/90/572110090.db2.gz QFFTZHYJNHHWAW-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H]1CCCN(CCC(C)(C)[NH3+])C1 82772988 572110093 /nfs/dbraw/zinc/11/00/93/572110093.db2.gz QFFTZHYJNHHWAW-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[NH+](CCC)CCC(C)(C)N 82777051 572110223 /nfs/dbraw/zinc/11/02/23/572110223.db2.gz AKLKRDMYVLZXLX-UHFFFAOYSA-N 1 3 186.343 2.236 10 0 AEAEHO CCCN(CCC)CCC(C)(C)[NH3+] 82777051 572110225 /nfs/dbraw/zinc/11/02/25/572110225.db2.gz AKLKRDMYVLZXLX-UHFFFAOYSA-N 1 3 186.343 2.236 10 0 AEAEHO CCCCN(C)CCC1([NH3+])CCCC1 82777055 572110317 /nfs/dbraw/zinc/11/03/17/572110317.db2.gz PDXVZKDJOKRQBT-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CCCC[C@H](C)C[NH2+][C@@H](C)CCN 300940292 572110530 /nfs/dbraw/zinc/11/05/30/572110530.db2.gz NRMJIQHFBDTQSH-QWRGUYRKSA-N 1 3 186.343 2.140 10 0 AEAEHO CCN[C@H](C)CC[NH2+]C1(C)CCCC1 82785827 572110731 /nfs/dbraw/zinc/11/07/31/572110731.db2.gz BWIRCBFNBNCZDT-LLVKDONJSA-N 1 3 198.354 2.297 10 0 AEAEHO CCCC[C@@H](C)C[NH2+][C@@H](C)CCN 300940291 572111374 /nfs/dbraw/zinc/11/13/74/572111374.db2.gz NRMJIQHFBDTQSH-MNOVXSKESA-N 1 3 186.343 2.140 10 0 AEAEHO CCN[C@@H](C)CC[NH2+]C1(C)CCCC1 82785826 572111465 /nfs/dbraw/zinc/11/14/65/572111465.db2.gz BWIRCBFNBNCZDT-NSHDSACASA-N 1 3 198.354 2.297 10 0 AEAEHO CC1([NH2+]CCCNC2CC2)CCCC1 82785897 572112018 /nfs/dbraw/zinc/11/20/18/572112018.db2.gz CJSXLPGPDOIHCW-UHFFFAOYSA-N 1 3 196.338 2.051 10 0 AEAEHO CC(C)(N)CC[NH2+]C1(C)CCCC1 82785911 572112115 /nfs/dbraw/zinc/11/21/15/572112115.db2.gz WLFGLJKEQBKQOF-UHFFFAOYSA-N 1 3 184.327 2.036 10 0 AEAEHO CCCC[C@@H](C)C[NH2+][C@H](C)CCN 300940290 572112340 /nfs/dbraw/zinc/11/23/40/572112340.db2.gz NRMJIQHFBDTQSH-GHMZBOCLSA-N 1 3 186.343 2.140 10 0 AEAEHO CCNC[C@H](C)C[NH2+]C1(C)CCCC1 82785886 572112373 /nfs/dbraw/zinc/11/23/73/572112373.db2.gz WYLJJSREJNPKRX-NSHDSACASA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[NH2+][C@@H](C)C[C@@H](C)N1CCCC1 82800809 572115645 /nfs/dbraw/zinc/11/56/45/572115645.db2.gz NFCAXYBFQWQQMN-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@H](C)C[C@H](C)[N@H+]1CC[C@H](C)C1 82801621 572116033 /nfs/dbraw/zinc/11/60/33/572116033.db2.gz UDGXEWQAVZKDQW-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCC[N@H+](C)[C@@H](C)C[C@@H](C)N 82801312 572115693 /nfs/dbraw/zinc/11/56/93/572115693.db2.gz XCCAFDZSNMMYSO-MNOVXSKESA-N 1 3 186.343 2.234 10 0 AEAEHO CCCCC[N@@H+](C)[C@@H](C)C[C@@H](C)N 82801312 572115696 /nfs/dbraw/zinc/11/56/96/572115696.db2.gz XCCAFDZSNMMYSO-MNOVXSKESA-N 1 3 186.343 2.234 10 0 AEAEHO CCCCCN(C)[C@@H](C)C[C@@H](C)[NH3+] 82801312 572115700 /nfs/dbraw/zinc/11/57/00/572115700.db2.gz XCCAFDZSNMMYSO-MNOVXSKESA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@@H]1CCC[N@@H+]1[C@@H](C)C[C@@H](C)NC 82801588 572115712 /nfs/dbraw/zinc/11/57/12/572115712.db2.gz DODXKPPMZLPCAA-GRYCIOLGSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H]1CCC[N@H+]1[C@@H](C)C[C@@H](C)NC 82801588 572115714 /nfs/dbraw/zinc/11/57/14/572115714.db2.gz DODXKPPMZLPCAA-GRYCIOLGSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[NH2+][C@@H](C)C[C@@H](C)N1CCCCC1 82800975 572115751 /nfs/dbraw/zinc/11/57/51/572115751.db2.gz LQZVUPWUBVHKOJ-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@H](C)C[C@@H](C)[NH+]1CCCCCC1 82800957 572115790 /nfs/dbraw/zinc/11/57/90/572115790.db2.gz JNVUDURDMXCJMB-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@H](C)C[C@H](C)[N@@H+]1CCCC[C@H]1C 82800879 572115817 /nfs/dbraw/zinc/11/58/17/572115817.db2.gz TXPBSBPWBCDORB-UTUOFQBUSA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@H](C)C[C@H](C)[N@H+]1CCCC[C@H]1C 82800879 572115822 /nfs/dbraw/zinc/11/58/22/572115822.db2.gz TXPBSBPWBCDORB-UTUOFQBUSA-N 1 3 198.354 2.247 10 0 AEAEHO C[C@@H](C[C@@H](C)N)[N@H+](C)C1CCCCC1 82801011 572115881 /nfs/dbraw/zinc/11/58/81/572115881.db2.gz JQHHBKNQIGHTEA-MNOVXSKESA-N 1 3 198.354 2.377 10 0 AEAEHO C[C@@H](C[C@@H](C)N)[N@@H+](C)C1CCCCC1 82801011 572115883 /nfs/dbraw/zinc/11/58/83/572115883.db2.gz JQHHBKNQIGHTEA-MNOVXSKESA-N 1 3 198.354 2.377 10 0 AEAEHO CC(C)C[N@@H+](C1CC1)[C@@H](C)C[C@@H](C)N 82801954 572115899 /nfs/dbraw/zinc/11/58/99/572115899.db2.gz RSJDNUGVTZJHQT-MNOVXSKESA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)C[N@H+](C1CC1)[C@@H](C)C[C@@H](C)N 82801954 572115903 /nfs/dbraw/zinc/11/59/03/572115903.db2.gz RSJDNUGVTZJHQT-MNOVXSKESA-N 1 3 198.354 2.233 10 0 AEAEHO CCC1CC[NH+]([C@H](C)C[C@@H](C)N)CC1 82801669 572115909 /nfs/dbraw/zinc/11/59/09/572115909.db2.gz QXPUAVCCPBXNCG-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CN[C@@H](C)C[C@@H](C)[NH+]1CCC(C)CC1 82800808 572116014 /nfs/dbraw/zinc/11/60/14/572116014.db2.gz NLBDDVRUIPOVAJ-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@@H](C)C[C@@H](C)N1CCC(C)CC1 82800808 572116017 /nfs/dbraw/zinc/11/60/17/572116017.db2.gz NLBDDVRUIPOVAJ-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@H](C)C[C@H](C)[N@@H+]1CC[C@H](C)C1 82801621 572116031 /nfs/dbraw/zinc/11/60/31/572116031.db2.gz UDGXEWQAVZKDQW-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+][C@H](C)C[C@H](C)N1CC[C@H](C)C1 82801621 572116037 /nfs/dbraw/zinc/11/60/37/572116037.db2.gz UDGXEWQAVZKDQW-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H](C)C[C@@H](C)[NH+]1CCCCCC1 82800956 572116063 /nfs/dbraw/zinc/11/60/63/572116063.db2.gz JNVUDURDMXCJMB-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@@H](C)C[C@H](C)[NH+]1CCCCCC1 82800958 572116081 /nfs/dbraw/zinc/11/60/81/572116081.db2.gz JNVUDURDMXCJMB-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)[C@@H](C)[N@H+](C)[C@@H](C)C[C@@H](C)N 82801471 572116260 /nfs/dbraw/zinc/11/62/60/572116260.db2.gz LOVKGRSWWQPNGE-OUAUKWLOSA-N 1 3 186.343 2.089 10 0 AEAEHO CC(C)[C@@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)N 82801471 572116264 /nfs/dbraw/zinc/11/62/64/572116264.db2.gz LOVKGRSWWQPNGE-OUAUKWLOSA-N 1 3 186.343 2.089 10 0 AEAEHO CC[NH2+][C@H](C)C[C@H](C)N(C)CC1CC1 82801597 572116274 /nfs/dbraw/zinc/11/62/74/572116274.db2.gz CUDQCMCORPWRCY-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@H](C)C[C@H](C)[N@H+](C)CC1CC1 82801597 572116278 /nfs/dbraw/zinc/11/62/78/572116278.db2.gz CUDQCMCORPWRCY-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@H](C)C[C@H](C)[N@@H+](C)CC1CC1 82801597 572116281 /nfs/dbraw/zinc/11/62/81/572116281.db2.gz CUDQCMCORPWRCY-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCCC[N@H+](CC)[C@H](C)C[C@@H](C)N 82801067 572116332 /nfs/dbraw/zinc/11/63/32/572116332.db2.gz LVMUQJVJXTZJFB-GHMZBOCLSA-N 1 3 186.343 2.234 10 0 AEAEHO CCCC[N@@H+](CC)[C@H](C)C[C@@H](C)N 82801067 572116336 /nfs/dbraw/zinc/11/63/36/572116336.db2.gz LVMUQJVJXTZJFB-GHMZBOCLSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[NH2+][C@H](C)C[C@H](C)N(C)CC 82801145 572116374 /nfs/dbraw/zinc/11/63/74/572116374.db2.gz XXASESUJGUXVET-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CC[NH2+][C@@H](C)C[C@H](C)N(CC)C1CC1 82801160 572116392 /nfs/dbraw/zinc/11/63/92/572116392.db2.gz WCRKZOWTQSNDQK-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO CC(C)[C@H](C)[N@H+](C)[C@@H](C)C[C@@H](C)N 82801472 572116407 /nfs/dbraw/zinc/11/64/07/572116407.db2.gz LOVKGRSWWQPNGE-VWYCJHECSA-N 1 3 186.343 2.089 10 0 AEAEHO CC(C)[C@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)N 82801472 572116410 /nfs/dbraw/zinc/11/64/10/572116410.db2.gz LOVKGRSWWQPNGE-VWYCJHECSA-N 1 3 186.343 2.089 10 0 AEAEHO CC[NH2+][C@@H](C)C[C@@H](C)N(C)CC1CC1 82801594 572116423 /nfs/dbraw/zinc/11/64/23/572116423.db2.gz CUDQCMCORPWRCY-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+][C@H](C)C[C@H](C)N1CCCCC1 82800978 572116625 /nfs/dbraw/zinc/11/66/25/572116625.db2.gz LQZVUPWUBVHKOJ-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@@H](C)C[C@@H](C)[N@H+](C)CC1CC1 82801594 572116427 /nfs/dbraw/zinc/11/64/27/572116427.db2.gz CUDQCMCORPWRCY-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@@H](C)C[C@@H](C)[N@@H+](C)CC1CC1 82801594 572116431 /nfs/dbraw/zinc/11/64/31/572116431.db2.gz CUDQCMCORPWRCY-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H]1CCC[N@@H+]([C@@H](C)C[C@@H](C)N)C1 82801484 572116451 /nfs/dbraw/zinc/11/64/51/572116451.db2.gz PBDQOMHLVRCPJT-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H]1CCC[N@H+]([C@@H](C)C[C@@H](C)N)C1 82801484 572116455 /nfs/dbraw/zinc/11/64/55/572116455.db2.gz PBDQOMHLVRCPJT-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CN[C@H](C)C[C@H](C)[N@@H+]1CCC[C@H](C)C1 82800943 572116468 /nfs/dbraw/zinc/11/64/68/572116468.db2.gz CBIUNIOBGFQRAX-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H](C)C[C@H](C)[N@H+]1CCC[C@H](C)C1 82800943 572116471 /nfs/dbraw/zinc/11/64/71/572116471.db2.gz CBIUNIOBGFQRAX-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)C[N@H+](C)[C@@H](C)C[C@@H](C)N 82801331 572116635 /nfs/dbraw/zinc/11/66/35/572116635.db2.gz AWJQUPMRCODEHS-AXFHLTTASA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@H](C)C[N@@H+](C)[C@@H](C)C[C@@H](C)N 82801331 572116637 /nfs/dbraw/zinc/11/66/37/572116637.db2.gz AWJQUPMRCODEHS-AXFHLTTASA-N 1 3 186.343 2.090 10 0 AEAEHO CC[NH2+][C@H](C)C[C@@H](C)N1CCCCC1 82800976 572116581 /nfs/dbraw/zinc/11/65/81/572116581.db2.gz LQZVUPWUBVHKOJ-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@H+](CC)[C@@H](C)C[C@@H](C)NC 82801232 572116595 /nfs/dbraw/zinc/11/65/95/572116595.db2.gz ZHTXGYJIDZYHPJ-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[N@@H+](CC)[C@@H](C)C[C@@H](C)NC 82801232 572116598 /nfs/dbraw/zinc/11/65/98/572116598.db2.gz ZHTXGYJIDZYHPJ-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CCC1CC[NH+]([C@@H](C)C[C@H](C)N)CC1 82801670 572116652 /nfs/dbraw/zinc/11/66/52/572116652.db2.gz QXPUAVCCPBXNCG-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H]1CCC[N@@H+]([C@@H](C)C[C@@H](C)N)C1 82801483 572116667 /nfs/dbraw/zinc/11/66/67/572116667.db2.gz PBDQOMHLVRCPJT-GRYCIOLGSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H]1CCC[N@H+]([C@@H](C)C[C@@H](C)N)C1 82801483 572116671 /nfs/dbraw/zinc/11/66/71/572116671.db2.gz PBDQOMHLVRCPJT-GRYCIOLGSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[NH+](CCC)[C@@H](C)C[C@@H](C)N 82800996 572116688 /nfs/dbraw/zinc/11/66/88/572116688.db2.gz WBWGLBQCGQQZNB-MNOVXSKESA-N 1 3 186.343 2.234 10 0 AEAEHO CCC1CC[NH+]([C@H](C)C[C@H](C)N)CC1 82801671 572117920 /nfs/dbraw/zinc/11/79/20/572117920.db2.gz QXPUAVCCPBXNCG-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CCN[C@@H](C)C[C@@H](C)[NH+](CC)CC 82800845 572118375 /nfs/dbraw/zinc/11/83/75/572118375.db2.gz FBEOGMLVQLDLHE-WDEREUQCSA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[NH2+][C@@H](C)C[C@@H](C)N(C)CC 82801142 572116827 /nfs/dbraw/zinc/11/68/27/572116827.db2.gz XXASESUJGUXVET-WDEREUQCSA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[NH2+][C@H](C)C[C@@H](C)N(C)C1CC1 82801167 572116834 /nfs/dbraw/zinc/11/68/34/572116834.db2.gz CSSLWMIOYXFTGQ-GHMZBOCLSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[NH2+][C@@H](C)C[C@H](C)N(CC)CC 82800847 572116770 /nfs/dbraw/zinc/11/67/70/572116770.db2.gz FBEOGMLVQLDLHE-QWRGUYRKSA-N 1 3 186.343 2.105 10 0 AEAEHO CCN[C@@H](C)C[C@H](C)[NH+](CC)CC 82800847 572116773 /nfs/dbraw/zinc/11/67/73/572116773.db2.gz FBEOGMLVQLDLHE-QWRGUYRKSA-N 1 3 186.343 2.105 10 0 AEAEHO CC[C@H](C)[N@H+](CC)[C@@H](C)C[C@@H](C)N 82801305 572116848 /nfs/dbraw/zinc/11/68/48/572116848.db2.gz BWXUGYNNQZBXFB-VWYCJHECSA-N 1 3 186.343 2.233 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)[C@@H](C)C[C@@H](C)N 82801305 572116849 /nfs/dbraw/zinc/11/68/49/572116849.db2.gz BWXUGYNNQZBXFB-VWYCJHECSA-N 1 3 186.343 2.233 10 0 AEAEHO CC[C@@H](C)[N@H+](C)[C@@H](C)C[C@@H](C)NC 82801284 572116941 /nfs/dbraw/zinc/11/69/41/572116941.db2.gz GSDOUIDSMSGKLZ-MXWKQRLJSA-N 1 3 186.343 2.103 10 0 AEAEHO CC[C@@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)NC 82801284 572116944 /nfs/dbraw/zinc/11/69/44/572116944.db2.gz GSDOUIDSMSGKLZ-MXWKQRLJSA-N 1 3 186.343 2.103 10 0 AEAEHO CC[NH2+][C@H](C)C[C@@H](C)N(C)CC1CC1 82801595 572116965 /nfs/dbraw/zinc/11/69/65/572116965.db2.gz CUDQCMCORPWRCY-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@H](C)C[C@@H](C)[N@H+](C)CC1CC1 82801595 572116968 /nfs/dbraw/zinc/11/69/68/572116968.db2.gz CUDQCMCORPWRCY-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@H](C)C[C@@H](C)[N@@H+](C)CC1CC1 82801595 572116970 /nfs/dbraw/zinc/11/69/70/572116970.db2.gz CUDQCMCORPWRCY-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@@H+](C1CC1)[C@H](C)C[C@@H](C)NC 82801253 572116998 /nfs/dbraw/zinc/11/69/98/572116998.db2.gz SQICEXITBVDZJS-GHMZBOCLSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[N@H+](C1CC1)[C@H](C)C[C@@H](C)NC 82801253 572117000 /nfs/dbraw/zinc/11/70/00/572117000.db2.gz SQICEXITBVDZJS-GHMZBOCLSA-N 1 3 198.354 2.247 10 0 AEAEHO CCCN(C1CC1)[C@H](C)C[C@@H](C)[NH2+]C 82801253 572117001 /nfs/dbraw/zinc/11/70/01/572117001.db2.gz SQICEXITBVDZJS-GHMZBOCLSA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@@H](C)C[C@@H](C)[N@H+](C)[C@@H](C)C1CC1 82801459 572117106 /nfs/dbraw/zinc/11/71/06/572117106.db2.gz PQZQYGMVTQPMTR-AXFHLTTASA-N 1 3 198.354 2.103 10 0 AEAEHO CN[C@@H](C)C[C@@H](C)[N@@H+](C)[C@@H](C)C1CC1 82801459 572117108 /nfs/dbraw/zinc/11/71/08/572117108.db2.gz PQZQYGMVTQPMTR-AXFHLTTASA-N 1 3 198.354 2.103 10 0 AEAEHO CCN[C@H](C)C[C@@H](C)[N@@H+]1CC[C@H](C)C1 82801619 572117156 /nfs/dbraw/zinc/11/71/56/572117156.db2.gz UDGXEWQAVZKDQW-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@H](C)C[C@@H](C)[N@H+]1CC[C@H](C)C1 82801619 572117160 /nfs/dbraw/zinc/11/71/60/572117160.db2.gz UDGXEWQAVZKDQW-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+][C@H](C)C[C@@H](C)N1CC[C@H](C)C1 82801619 572117162 /nfs/dbraw/zinc/11/71/62/572117162.db2.gz UDGXEWQAVZKDQW-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@H](N)C[C@@H](C)[N@H+](C)C1CCCCC1 82801008 572117211 /nfs/dbraw/zinc/11/72/11/572117211.db2.gz JQHHBKNQIGHTEA-WDEREUQCSA-N 1 3 198.354 2.377 10 0 AEAEHO C[C@H](N)C[C@@H](C)[N@@H+](C)C1CCCCC1 82801008 572117215 /nfs/dbraw/zinc/11/72/15/572117215.db2.gz JQHHBKNQIGHTEA-WDEREUQCSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[N@@H+](C1CCCC1)[C@H](C)C[C@@H](C)N 82801374 572117243 /nfs/dbraw/zinc/11/72/43/572117243.db2.gz IZHVQORITZSXCE-GHMZBOCLSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[N@H+](C1CCCC1)[C@H](C)C[C@@H](C)N 82801374 572117246 /nfs/dbraw/zinc/11/72/46/572117246.db2.gz IZHVQORITZSXCE-GHMZBOCLSA-N 1 3 198.354 2.377 10 0 AEAEHO CN[C@@H](C)C[C@H](C)[NH+]1CCC(C)CC1 82800807 572117254 /nfs/dbraw/zinc/11/72/54/572117254.db2.gz NLBDDVRUIPOVAJ-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@@H](C)C[C@H](C)N1CCC(C)CC1 82800807 572117259 /nfs/dbraw/zinc/11/72/59/572117259.db2.gz NLBDDVRUIPOVAJ-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@H](C)[N@H+](C)[C@@H](C)C[C@@H](C)N 82801479 572117281 /nfs/dbraw/zinc/11/72/81/572117281.db2.gz JSDLFSMZJPALCP-VWYCJHECSA-N 1 3 186.343 2.233 10 0 AEAEHO CCC[C@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)N 82801479 572117285 /nfs/dbraw/zinc/11/72/85/572117285.db2.gz JSDLFSMZJPALCP-VWYCJHECSA-N 1 3 186.343 2.233 10 0 AEAEHO CN[C@@H](C)C[C@@H](C)[N@H+](C)C1CCCC1 82801220 572117310 /nfs/dbraw/zinc/11/73/10/572117310.db2.gz KRJPQFUGXYJUAS-WDEREUQCSA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@@H](C)C[C@@H](C)[N@@H+](C)C1CCCC1 82801220 572117314 /nfs/dbraw/zinc/11/73/14/572117314.db2.gz KRJPQFUGXYJUAS-WDEREUQCSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[N@@H+](C1CC1)[C@@H](C)C[C@@H](C)NC 82801252 572117321 /nfs/dbraw/zinc/11/73/21/572117321.db2.gz SQICEXITBVDZJS-MNOVXSKESA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[N@H+](C1CC1)[C@@H](C)C[C@@H](C)NC 82801252 572117323 /nfs/dbraw/zinc/11/73/23/572117323.db2.gz SQICEXITBVDZJS-MNOVXSKESA-N 1 3 198.354 2.247 10 0 AEAEHO CCCN(C1CC1)[C@@H](C)C[C@@H](C)[NH2+]C 82801252 572117325 /nfs/dbraw/zinc/11/73/25/572117325.db2.gz SQICEXITBVDZJS-MNOVXSKESA-N 1 3 198.354 2.247 10 0 AEAEHO CCCCN(C)[C@H](C)C[C@@H](C)[NH2+]C 82801059 572117352 /nfs/dbraw/zinc/11/73/52/572117352.db2.gz XGVPBKGJEHGURO-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CCCC[N@H+](C)[C@H](C)C[C@@H](C)NC 82801059 572117354 /nfs/dbraw/zinc/11/73/54/572117354.db2.gz XGVPBKGJEHGURO-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CCCC[N@@H+](C)[C@H](C)C[C@@H](C)NC 82801059 572117356 /nfs/dbraw/zinc/11/73/56/572117356.db2.gz XGVPBKGJEHGURO-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CC[C@H](C)[N@H+](C)[C@@H](C)C[C@@H](C)NC 82801285 572117365 /nfs/dbraw/zinc/11/73/65/572117365.db2.gz GSDOUIDSMSGKLZ-VWYCJHECSA-N 1 3 186.343 2.103 10 0 AEAEHO CC[C@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)NC 82801285 572117368 /nfs/dbraw/zinc/11/73/68/572117368.db2.gz GSDOUIDSMSGKLZ-VWYCJHECSA-N 1 3 186.343 2.103 10 0 AEAEHO CN[C@H](C)C[C@H](C)[N@H+](C)C1CCCC1 82801223 572117384 /nfs/dbraw/zinc/11/73/84/572117384.db2.gz KRJPQFUGXYJUAS-MNOVXSKESA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@H](C)C[C@H](C)[N@@H+](C)C1CCCC1 82801223 572117386 /nfs/dbraw/zinc/11/73/86/572117386.db2.gz KRJPQFUGXYJUAS-MNOVXSKESA-N 1 3 198.354 2.247 10 0 AEAEHO CCCC[N@@H+](C1CC1)[C@@H](C)C[C@@H](C)N 82801828 572117448 /nfs/dbraw/zinc/11/74/48/572117448.db2.gz IKCSRCPVNYUZAD-MNOVXSKESA-N 1 3 198.354 2.377 10 0 AEAEHO CCCC[N@H+](C1CC1)[C@@H](C)C[C@@H](C)N 82801828 572117452 /nfs/dbraw/zinc/11/74/52/572117452.db2.gz IKCSRCPVNYUZAD-MNOVXSKESA-N 1 3 198.354 2.377 10 0 AEAEHO CCCCN(C1CC1)[C@@H](C)C[C@@H](C)[NH3+] 82801828 572117455 /nfs/dbraw/zinc/11/74/55/572117455.db2.gz IKCSRCPVNYUZAD-MNOVXSKESA-N 1 3 198.354 2.377 10 0 AEAEHO CC[NH2+][C@@H](C)C[C@H](C)N1CCCCC1 82800977 572117485 /nfs/dbraw/zinc/11/74/85/572117485.db2.gz LQZVUPWUBVHKOJ-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@H](C)C[C@H](C)[NH+]1CCCCCC1 82800959 572117492 /nfs/dbraw/zinc/11/74/92/572117492.db2.gz JNVUDURDMXCJMB-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@H](C)C[C@H](C)N(C)C1CC1 82801169 572117498 /nfs/dbraw/zinc/11/74/98/572117498.db2.gz CSSLWMIOYXFTGQ-MNOVXSKESA-N 1 3 198.354 2.247 10 0 AEAEHO CCCCC[N@H+](C)[C@H](C)C[C@@H](C)N 82801313 572117511 /nfs/dbraw/zinc/11/75/11/572117511.db2.gz XCCAFDZSNMMYSO-GHMZBOCLSA-N 1 3 186.343 2.234 10 0 AEAEHO CCCCC[N@@H+](C)[C@H](C)C[C@@H](C)N 82801313 572117514 /nfs/dbraw/zinc/11/75/14/572117514.db2.gz XCCAFDZSNMMYSO-GHMZBOCLSA-N 1 3 186.343 2.234 10 0 AEAEHO CCCCCN(C)[C@H](C)C[C@@H](C)[NH3+] 82801313 572117515 /nfs/dbraw/zinc/11/75/15/572117515.db2.gz XCCAFDZSNMMYSO-GHMZBOCLSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@@H](C)C[N@H+](C)[C@@H](C)C[C@@H](C)N 82801330 572117524 /nfs/dbraw/zinc/11/75/24/572117524.db2.gz AWJQUPMRCODEHS-MXWKQRLJSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@@H](C)C[N@@H+](C)[C@@H](C)C[C@@H](C)N 82801330 572117527 /nfs/dbraw/zinc/11/75/27/572117527.db2.gz AWJQUPMRCODEHS-MXWKQRLJSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@@H]1CCCC[N@@H+]1[C@@H](C)C[C@@H](C)N 82801200 572117562 /nfs/dbraw/zinc/11/75/62/572117562.db2.gz JHZRPJHCDQHLCJ-GRYCIOLGSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[C@@H]1CCCC[N@H+]1[C@@H](C)C[C@@H](C)N 82801200 572117567 /nfs/dbraw/zinc/11/75/67/572117567.db2.gz JHZRPJHCDQHLCJ-GRYCIOLGSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC[N@H+](CC)[C@H](C)C[C@@H](C)NC 82801233 572117585 /nfs/dbraw/zinc/11/75/85/572117585.db2.gz ZHTXGYJIDZYHPJ-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[N@@H+](CC)[C@H](C)C[C@@H](C)NC 82801233 572117591 /nfs/dbraw/zinc/11/75/91/572117591.db2.gz ZHTXGYJIDZYHPJ-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[NH+](CCC)[C@H](C)C[C@H](C)N 82800999 572117615 /nfs/dbraw/zinc/11/76/15/572117615.db2.gz WBWGLBQCGQQZNB-WDEREUQCSA-N 1 3 186.343 2.234 10 0 AEAEHO CC(C)CC[N@H+](C)[C@H](C)C[C@@H](C)N 82801707 572117679 /nfs/dbraw/zinc/11/76/79/572117679.db2.gz YQMRTRBDTWROOE-GHMZBOCLSA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)CC[N@@H+](C)[C@H](C)C[C@@H](C)N 82801707 572117682 /nfs/dbraw/zinc/11/76/82/572117682.db2.gz YQMRTRBDTWROOE-GHMZBOCLSA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)CCN(C)[C@H](C)C[C@@H](C)[NH3+] 82801707 572117685 /nfs/dbraw/zinc/11/76/85/572117685.db2.gz YQMRTRBDTWROOE-GHMZBOCLSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[NH2+][C@H](C)C[C@@H](C)N(CC)C1CC1 82801159 572117748 /nfs/dbraw/zinc/11/77/48/572117748.db2.gz WCRKZOWTQSNDQK-GHMZBOCLSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[N@@H+](C1CCCC1)[C@@H](C)C[C@@H](C)N 82801373 572117783 /nfs/dbraw/zinc/11/77/83/572117783.db2.gz IZHVQORITZSXCE-MNOVXSKESA-N 1 3 198.354 2.377 10 0 AEAEHO CC[N@H+](C1CCCC1)[C@@H](C)C[C@@H](C)N 82801373 572117788 /nfs/dbraw/zinc/11/77/88/572117788.db2.gz IZHVQORITZSXCE-MNOVXSKESA-N 1 3 198.354 2.377 10 0 AEAEHO CN[C@H](C)C[C@@H](C)[N@H+](C)C1CCCC1 82801221 572117866 /nfs/dbraw/zinc/11/78/66/572117866.db2.gz KRJPQFUGXYJUAS-GHMZBOCLSA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@H](C)C[C@@H](C)[N@@H+](C)C1CCCC1 82801221 572117869 /nfs/dbraw/zinc/11/78/69/572117869.db2.gz KRJPQFUGXYJUAS-GHMZBOCLSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[N@H+](CC(C)C)[C@@H](C)C[C@@H](C)N 82801294 572117898 /nfs/dbraw/zinc/11/78/98/572117898.db2.gz MIGKOFORFBYUTD-MNOVXSKESA-N 1 3 186.343 2.090 10 0 AEAEHO CC[N@@H+](CC(C)C)[C@@H](C)C[C@@H](C)N 82801294 572117899 /nfs/dbraw/zinc/11/78/99/572117899.db2.gz MIGKOFORFBYUTD-MNOVXSKESA-N 1 3 186.343 2.090 10 0 AEAEHO CCC[N@H+](C(C)C)[C@@H](C)C[C@@H](C)N 82801240 572117944 /nfs/dbraw/zinc/11/79/44/572117944.db2.gz BCRCKBGPRQRKJZ-MNOVXSKESA-N 1 3 186.343 2.233 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@@H](C)C[C@@H](C)N 82801240 572117947 /nfs/dbraw/zinc/11/79/47/572117947.db2.gz BCRCKBGPRQRKJZ-MNOVXSKESA-N 1 3 186.343 2.233 10 0 AEAEHO CN[C@H](C)C[C@@H](C)[N@H+](C)[C@@H](C)C1CC1 82801460 572117974 /nfs/dbraw/zinc/11/79/74/572117974.db2.gz PQZQYGMVTQPMTR-MXWKQRLJSA-N 1 3 198.354 2.103 10 0 AEAEHO CN[C@H](C)C[C@@H](C)[N@@H+](C)[C@@H](C)C1CC1 82801460 572117976 /nfs/dbraw/zinc/11/79/76/572117976.db2.gz PQZQYGMVTQPMTR-MXWKQRLJSA-N 1 3 198.354 2.103 10 0 AEAEHO CCC1CC[NH+]([C@@H](C)C[C@@H](C)N)CC1 82801668 572117989 /nfs/dbraw/zinc/11/79/89/572117989.db2.gz QXPUAVCCPBXNCG-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)C[C@H](C)[N@H+](C)CC(C)(C)C 82802159 572120125 /nfs/dbraw/zinc/12/01/25/572120125.db2.gz DJPABIPDZHKOBN-UWVGGRQHSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@@H](C)[N@H+](CC)[C@@H](C)C[C@@H](C)N 82801304 572118044 /nfs/dbraw/zinc/11/80/44/572118044.db2.gz BWXUGYNNQZBXFB-MXWKQRLJSA-N 1 3 186.343 2.233 10 0 AEAEHO CC[C@@H](C)[N@@H+](CC)[C@@H](C)C[C@@H](C)N 82801304 572118050 /nfs/dbraw/zinc/11/80/50/572118050.db2.gz BWXUGYNNQZBXFB-MXWKQRLJSA-N 1 3 186.343 2.233 10 0 AEAEHO CCC[NH2+][C@H](C)C[C@@H](C)N(C)CC 82801143 572118076 /nfs/dbraw/zinc/11/80/76/572118076.db2.gz XXASESUJGUXVET-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO C[C@H](N)C[C@H](C)[N@@H+](C)CC(C)(C)C 82802159 572120127 /nfs/dbraw/zinc/12/01/27/572120127.db2.gz DJPABIPDZHKOBN-UWVGGRQHSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@H]1CCCC[N@@H+]1[C@@H](C)C[C@@H](C)N 82801201 572118093 /nfs/dbraw/zinc/11/80/93/572118093.db2.gz JHZRPJHCDQHLCJ-WOPDTQHZSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[C@H]1CCCC[N@H+]1[C@@H](C)C[C@@H](C)N 82801201 572118095 /nfs/dbraw/zinc/11/80/95/572118095.db2.gz JHZRPJHCDQHLCJ-WOPDTQHZSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[NH2+][C@@H](C)C[C@H](C)N(C)CC1CC1 82801596 572118222 /nfs/dbraw/zinc/11/82/22/572118222.db2.gz CUDQCMCORPWRCY-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@@H](C)C[C@H](C)[N@H+](C)CC1CC1 82801596 572118224 /nfs/dbraw/zinc/11/82/24/572118224.db2.gz CUDQCMCORPWRCY-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@H]([NH3+])C[C@H](C)N(C)CC(C)(C)C 82802159 572120129 /nfs/dbraw/zinc/12/01/29/572120129.db2.gz DJPABIPDZHKOBN-UWVGGRQHSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@H]1CCC[N@@H+]1[C@@H](C)C[C@@H](C)NC 82801589 572118178 /nfs/dbraw/zinc/11/81/78/572118178.db2.gz DODXKPPMZLPCAA-WOPDTQHZSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H]1CCC[N@H+]1[C@@H](C)C[C@@H](C)NC 82801589 572118182 /nfs/dbraw/zinc/11/81/82/572118182.db2.gz DODXKPPMZLPCAA-WOPDTQHZSA-N 1 3 198.354 2.247 10 0 AEAEHO CCCN(C)[C@@H](C)C[C@@H](C)[NH2+]CC 82801258 572118271 /nfs/dbraw/zinc/11/82/71/572118271.db2.gz PZCJGZKYMFWUCU-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[N@H+](C)[C@@H](C)C[C@@H](C)NCC 82801258 572118275 /nfs/dbraw/zinc/11/82/75/572118275.db2.gz PZCJGZKYMFWUCU-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[N@@H+](C)[C@@H](C)C[C@@H](C)NCC 82801258 572118276 /nfs/dbraw/zinc/11/82/76/572118276.db2.gz PZCJGZKYMFWUCU-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CCN[C@@H](C)C[C@H](C)[N@@H+](C)CC1CC1 82801596 572118229 /nfs/dbraw/zinc/11/82/29/572118229.db2.gz CUDQCMCORPWRCY-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+][C@@H](C)C[C@H](C)N(C)CC 82801144 572118246 /nfs/dbraw/zinc/11/82/46/572118246.db2.gz XXASESUJGUXVET-QWRGUYRKSA-N 1 3 186.343 2.105 10 0 AEAEHO CN[C@H](C)C[C@H](C)[N@@H+]1CCCC[C@@H]1C 82800880 572118328 /nfs/dbraw/zinc/11/83/28/572118328.db2.gz TXPBSBPWBCDORB-WOPDTQHZSA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@H](C)C[C@H](C)[N@H+]1CCCC[C@@H]1C 82800880 572118331 /nfs/dbraw/zinc/11/83/31/572118331.db2.gz TXPBSBPWBCDORB-WOPDTQHZSA-N 1 3 198.354 2.247 10 0 AEAEHO CC(C)[NH2+]CCCN1CCCCCC1 37395162 572118340 /nfs/dbraw/zinc/11/83/40/572118340.db2.gz KLKQGJITMGRUHX-UHFFFAOYSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCC[N@@H+](C1CC1)[C@H](C)C[C@@H](C)N 82801829 572118358 /nfs/dbraw/zinc/11/83/58/572118358.db2.gz IKCSRCPVNYUZAD-GHMZBOCLSA-N 1 3 198.354 2.377 10 0 AEAEHO CCCC[N@H+](C1CC1)[C@H](C)C[C@@H](C)N 82801829 572118362 /nfs/dbraw/zinc/11/83/62/572118362.db2.gz IKCSRCPVNYUZAD-GHMZBOCLSA-N 1 3 198.354 2.377 10 0 AEAEHO CCCCN(C1CC1)[C@H](C)C[C@@H](C)[NH3+] 82801829 572118364 /nfs/dbraw/zinc/11/83/64/572118364.db2.gz IKCSRCPVNYUZAD-GHMZBOCLSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[NH2+][C@@H](C)C[C@@H](C)N(CC)CC 82800845 572118370 /nfs/dbraw/zinc/11/83/70/572118370.db2.gz FBEOGMLVQLDLHE-WDEREUQCSA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[N@H+](CC1CC1)[C@H](C)C[C@@H](C)N 82801803 572118423 /nfs/dbraw/zinc/11/84/23/572118423.db2.gz RCKMRPWTXYOKSR-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@@H+](CC1CC1)[C@H](C)C[C@@H](C)N 82801803 572118424 /nfs/dbraw/zinc/11/84/24/572118424.db2.gz RCKMRPWTXYOKSR-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[NH2+][C@@H](C)C[C@@H](C)N(CC)C1CC1 82801158 572118435 /nfs/dbraw/zinc/11/84/35/572118435.db2.gz WCRKZOWTQSNDQK-WDEREUQCSA-N 1 3 198.354 2.247 10 0 AEAEHO CCCC[N@H+](CC)[C@@H](C)C[C@@H](C)N 82801066 572118441 /nfs/dbraw/zinc/11/84/41/572118441.db2.gz LVMUQJVJXTZJFB-MNOVXSKESA-N 1 3 186.343 2.234 10 0 AEAEHO CCCC[N@@H+](CC)[C@@H](C)C[C@@H](C)N 82801066 572118444 /nfs/dbraw/zinc/11/84/44/572118444.db2.gz LVMUQJVJXTZJFB-MNOVXSKESA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[NH2+][C@H](C)C[C@@H](C)N1CCCC1 82800810 572118453 /nfs/dbraw/zinc/11/84/53/572118453.db2.gz NFCAXYBFQWQQMN-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@H](C)C[C@H](C)N1CCCC1 82800812 572118485 /nfs/dbraw/zinc/11/84/85/572118485.db2.gz NFCAXYBFQWQQMN-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@H](C)C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 82800942 572118509 /nfs/dbraw/zinc/11/85/09/572118509.db2.gz CBIUNIOBGFQRAX-UTUOFQBUSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H](C)C[C@H](C)[N@H+]1CCC[C@@H](C)C1 82800942 572118511 /nfs/dbraw/zinc/11/85/11/572118511.db2.gz CBIUNIOBGFQRAX-UTUOFQBUSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@H]1C[C@@H](C)C[N@H+]([C@@H](C)C[C@@H](C)N)C1 82800765 572118519 /nfs/dbraw/zinc/11/85/19/572118519.db2.gz FCLMWXDRKOSLLH-KXNHARMFSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H]1C[C@@H](C)C[N@@H+]([C@@H](C)C[C@@H](C)N)C1 82800765 572118521 /nfs/dbraw/zinc/11/85/21/572118521.db2.gz FCLMWXDRKOSLLH-KXNHARMFSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[NH2+][C@H](C)C[C@H](C)N(CC)CC 82800848 572118526 /nfs/dbraw/zinc/11/85/26/572118526.db2.gz FBEOGMLVQLDLHE-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CCN[C@H](C)C[C@H](C)[NH+](CC)CC 82800848 572118528 /nfs/dbraw/zinc/11/85/28/572118528.db2.gz FBEOGMLVQLDLHE-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO C[C@@H](N)C[C@@H](C)[N@H+](C)C1CCCCC1 82801009 572118550 /nfs/dbraw/zinc/11/85/50/572118550.db2.gz JQHHBKNQIGHTEA-GHMZBOCLSA-N 1 3 198.354 2.377 10 0 AEAEHO C[C@@H](N)C[C@@H](C)[N@@H+](C)C1CCCCC1 82801009 572118552 /nfs/dbraw/zinc/11/85/52/572118552.db2.gz JQHHBKNQIGHTEA-GHMZBOCLSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC[NH2+][C@@H](C)C[C@@H](C)N(C)C1CC1 82801166 572118556 /nfs/dbraw/zinc/11/85/56/572118556.db2.gz CSSLWMIOYXFTGQ-WDEREUQCSA-N 1 3 198.354 2.247 10 0 AEAEHO C[C@H](N)C[C@H](C)[N@H+](C)C1CCCCC1 82801010 572118570 /nfs/dbraw/zinc/11/85/70/572118570.db2.gz JQHHBKNQIGHTEA-QWRGUYRKSA-N 1 3 198.354 2.377 10 0 AEAEHO C[C@H](N)C[C@H](C)[N@@H+](C)C1CCCCC1 82801010 572118573 /nfs/dbraw/zinc/11/85/73/572118573.db2.gz JQHHBKNQIGHTEA-QWRGUYRKSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[NH2+][C@H](C)C[C@@H](C)N(CC)CC 82800846 572118620 /nfs/dbraw/zinc/11/86/20/572118620.db2.gz FBEOGMLVQLDLHE-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CCN[C@H](C)C[C@@H](C)[NH+](CC)CC 82800846 572118623 /nfs/dbraw/zinc/11/86/23/572118623.db2.gz FBEOGMLVQLDLHE-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CN[C@H](C)C[C@H](C)[N@H+](C)[C@@H](C)C1CC1 82801462 572118633 /nfs/dbraw/zinc/11/86/33/572118633.db2.gz PQZQYGMVTQPMTR-VWYCJHECSA-N 1 3 198.354 2.103 10 0 AEAEHO CN[C@H](C)C[C@H](C)[N@@H+](C)[C@@H](C)C1CC1 82801462 572118638 /nfs/dbraw/zinc/11/86/38/572118638.db2.gz PQZQYGMVTQPMTR-VWYCJHECSA-N 1 3 198.354 2.103 10 0 AEAEHO CC[N@H+](CC(C)C)[C@H](C)C[C@@H](C)N 82801295 572118671 /nfs/dbraw/zinc/11/86/71/572118671.db2.gz MIGKOFORFBYUTD-GHMZBOCLSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[N@@H+](CC(C)C)[C@H](C)C[C@@H](C)N 82801295 572118674 /nfs/dbraw/zinc/11/86/74/572118674.db2.gz MIGKOFORFBYUTD-GHMZBOCLSA-N 1 3 186.343 2.090 10 0 AEAEHO CN[C@@H](C)C[C@H](C)[N@H+](C)C1CCCC1 82801222 572118686 /nfs/dbraw/zinc/11/86/86/572118686.db2.gz KRJPQFUGXYJUAS-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@@H](C)C[C@H](C)[N@@H+](C)C1CCCC1 82801222 572118691 /nfs/dbraw/zinc/11/86/91/572118691.db2.gz KRJPQFUGXYJUAS-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[N@H+](C(C)C)[C@H](C)C[C@@H](C)NC 82801193 572118726 /nfs/dbraw/zinc/11/87/26/572118726.db2.gz OXOJJKBMDGWYTJ-GHMZBOCLSA-N 1 3 186.343 2.103 10 0 AEAEHO CC[N@@H+](C(C)C)[C@H](C)C[C@@H](C)NC 82801193 572118730 /nfs/dbraw/zinc/11/87/30/572118730.db2.gz OXOJJKBMDGWYTJ-GHMZBOCLSA-N 1 3 186.343 2.103 10 0 AEAEHO CCCCN(C)[C@@H](C)C[C@@H](C)[NH2+]C 82801058 572118757 /nfs/dbraw/zinc/11/87/57/572118757.db2.gz XGVPBKGJEHGURO-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CCCC[N@H+](C)[C@@H](C)C[C@@H](C)NC 82801058 572118760 /nfs/dbraw/zinc/11/87/60/572118760.db2.gz XGVPBKGJEHGURO-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CCCC[N@@H+](C)[C@@H](C)C[C@@H](C)NC 82801058 572118767 /nfs/dbraw/zinc/11/87/67/572118767.db2.gz XGVPBKGJEHGURO-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CN[C@H](C)C[C@@H](C)[NH+]1CCC(C)CC1 82800806 572118846 /nfs/dbraw/zinc/11/88/46/572118846.db2.gz NLBDDVRUIPOVAJ-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@H](C)C[C@@H](C)N1CCC(C)CC1 82800806 572118851 /nfs/dbraw/zinc/11/88/51/572118851.db2.gz NLBDDVRUIPOVAJ-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+][C@H](C)C[C@H](C)N(CC)C1CC1 82801161 572118910 /nfs/dbraw/zinc/11/89/10/572118910.db2.gz WCRKZOWTQSNDQK-MNOVXSKESA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[NH2+][C@@H](C)C[C@H](C)N(C)C1CC1 82801168 572118928 /nfs/dbraw/zinc/11/89/28/572118928.db2.gz CSSLWMIOYXFTGQ-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[N@H+](C(C)C)[C@H](C)C[C@@H](C)N 82801241 572118938 /nfs/dbraw/zinc/11/89/38/572118938.db2.gz BCRCKBGPRQRKJZ-GHMZBOCLSA-N 1 3 186.343 2.233 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@H](C)C[C@@H](C)N 82801241 572118941 /nfs/dbraw/zinc/11/89/41/572118941.db2.gz BCRCKBGPRQRKJZ-GHMZBOCLSA-N 1 3 186.343 2.233 10 0 AEAEHO CN[C@@H](C)C[C@H](C)[N@H+](C)[C@@H](C)C1CC1 82801461 572118978 /nfs/dbraw/zinc/11/89/78/572118978.db2.gz PQZQYGMVTQPMTR-DCAQKATOSA-N 1 3 198.354 2.103 10 0 AEAEHO CN[C@@H](C)C[C@H](C)[N@@H+](C)[C@@H](C)C1CC1 82801461 572118979 /nfs/dbraw/zinc/11/89/79/572118979.db2.gz PQZQYGMVTQPMTR-DCAQKATOSA-N 1 3 198.354 2.103 10 0 AEAEHO CCCN(C)[C@H](C)C[C@@H](C)[NH2+]CC 82801259 572118992 /nfs/dbraw/zinc/11/89/92/572118992.db2.gz PZCJGZKYMFWUCU-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[N@H+](C)[C@H](C)C[C@@H](C)NCC 82801259 572118993 /nfs/dbraw/zinc/11/89/93/572118993.db2.gz PZCJGZKYMFWUCU-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[N@@H+](C)[C@H](C)C[C@@H](C)NCC 82801259 572118996 /nfs/dbraw/zinc/11/89/96/572118996.db2.gz PZCJGZKYMFWUCU-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CC(C)CC[N@H+](C)[C@@H](C)C[C@@H](C)N 82801706 572119003 /nfs/dbraw/zinc/11/90/03/572119003.db2.gz YQMRTRBDTWROOE-MNOVXSKESA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)CC[N@@H+](C)[C@@H](C)C[C@@H](C)N 82801706 572119005 /nfs/dbraw/zinc/11/90/05/572119005.db2.gz YQMRTRBDTWROOE-MNOVXSKESA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)CCN(C)[C@@H](C)C[C@@H](C)[NH3+] 82801706 572119009 /nfs/dbraw/zinc/11/90/09/572119009.db2.gz YQMRTRBDTWROOE-MNOVXSKESA-N 1 3 186.343 2.090 10 0 AEAEHO CC[N@H+](C(C)C)[C@@H](C)C[C@@H](C)NC 82801192 572119035 /nfs/dbraw/zinc/11/90/35/572119035.db2.gz OXOJJKBMDGWYTJ-MNOVXSKESA-N 1 3 186.343 2.103 10 0 AEAEHO CC[N@@H+](C(C)C)[C@@H](C)C[C@@H](C)NC 82801192 572119040 /nfs/dbraw/zinc/11/90/40/572119040.db2.gz OXOJJKBMDGWYTJ-MNOVXSKESA-N 1 3 186.343 2.103 10 0 AEAEHO CCC[NH+](CCC)[C@@H](C)C[C@H](C)N 82800998 572119130 /nfs/dbraw/zinc/11/91/30/572119130.db2.gz WBWGLBQCGQQZNB-QWRGUYRKSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[N@H+](CC1CC1)[C@@H](C)C[C@@H](C)N 82801802 572119163 /nfs/dbraw/zinc/11/91/63/572119163.db2.gz RCKMRPWTXYOKSR-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@@H+](CC1CC1)[C@@H](C)C[C@@H](C)N 82801802 572119165 /nfs/dbraw/zinc/11/91/65/572119165.db2.gz RCKMRPWTXYOKSR-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[NH2+][C@@H](C)C[C@H](C)N1CCCC1 82800811 572119194 /nfs/dbraw/zinc/11/91/94/572119194.db2.gz NFCAXYBFQWQQMN-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@@H](C)C[C@H](C)[N@@H+]1CCCC1(C)C 82802372 572119452 /nfs/dbraw/zinc/11/94/52/572119452.db2.gz AQWBNIPVUBWIJI-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@@H](C)C[C@H](C)[N@H+]1CCCC1(C)C 82802372 572119455 /nfs/dbraw/zinc/11/94/55/572119455.db2.gz AQWBNIPVUBWIJI-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[N@H+](CC1CC1)[C@H](C)C[C@@H](C)NC 82802507 572119503 /nfs/dbraw/zinc/11/95/03/572119503.db2.gz HXZPANMCTIEPPH-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@@H+](CC1CC1)[C@H](C)C[C@@H](C)NC 82802507 572119506 /nfs/dbraw/zinc/11/95/06/572119506.db2.gz HXZPANMCTIEPPH-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@H+](CC1CC1)[C@@H](C)C[C@@H](C)NC 82802506 572119733 /nfs/dbraw/zinc/11/97/33/572119733.db2.gz HXZPANMCTIEPPH-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@@H+](CC1CC1)[C@@H](C)C[C@@H](C)NC 82802506 572119734 /nfs/dbraw/zinc/11/97/34/572119734.db2.gz HXZPANMCTIEPPH-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)[N@H+](C)[C@@H](C)C[C@@H](C)N 82802696 572119799 /nfs/dbraw/zinc/11/97/99/572119799.db2.gz GRQBMJPEZTUCRA-ZJUUUORDSA-N 1 3 186.343 2.233 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@@H](C)C[C@@H](C)N 82802696 572119802 /nfs/dbraw/zinc/11/98/02/572119802.db2.gz GRQBMJPEZTUCRA-ZJUUUORDSA-N 1 3 186.343 2.233 10 0 AEAEHO CCC(C)(C)[N@H+](C)[C@H](C)C[C@@H](C)N 82802515 572119969 /nfs/dbraw/zinc/11/99/69/572119969.db2.gz XKMHPDKAAVQEFN-NXEZZACHSA-N 1 3 186.343 2.233 10 0 AEAEHO CCC(C)(C)[N@@H+](C)[C@H](C)C[C@@H](C)N 82802515 572119971 /nfs/dbraw/zinc/11/99/71/572119971.db2.gz XKMHPDKAAVQEFN-NXEZZACHSA-N 1 3 186.343 2.233 10 0 AEAEHO C[C@H](N)C[C@@H](C)[N@H+](C)CC(C)(C)C 82802157 572120053 /nfs/dbraw/zinc/12/00/53/572120053.db2.gz DJPABIPDZHKOBN-VHSXEESVSA-N 1 3 186.343 2.090 10 0 AEAEHO C[C@H](N)C[C@@H](C)[N@@H+](C)CC(C)(C)C 82802157 572120054 /nfs/dbraw/zinc/12/00/54/572120054.db2.gz DJPABIPDZHKOBN-VHSXEESVSA-N 1 3 186.343 2.090 10 0 AEAEHO C[C@H]([NH3+])C[C@@H](C)N(C)CC(C)(C)C 82802157 572120057 /nfs/dbraw/zinc/12/00/57/572120057.db2.gz DJPABIPDZHKOBN-VHSXEESVSA-N 1 3 186.343 2.090 10 0 AEAEHO C[C@H]1CCCCC[N@H+]1[C@@H](C)C[C@@H](C)N 82803374 572120140 /nfs/dbraw/zinc/12/01/40/572120140.db2.gz VQAQFOQVMGMQLR-WOPDTQHZSA-N 1 3 198.354 2.377 10 0 AEAEHO C[C@H]1CCCCC[N@@H+]1[C@@H](C)C[C@@H](C)N 82803374 572120142 /nfs/dbraw/zinc/12/01/42/572120142.db2.gz VQAQFOQVMGMQLR-WOPDTQHZSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[NH2+][C@@H](C)C[C@H](C)N(C)C(C)C 82802688 572120150 /nfs/dbraw/zinc/12/01/50/572120150.db2.gz NXEPEZFRDDHCOM-QWRGUYRKSA-N 1 3 186.343 2.103 10 0 AEAEHO CCN[C@@H](C)C[C@H](C)[N@H+](C)C(C)C 82802688 572120152 /nfs/dbraw/zinc/12/01/52/572120152.db2.gz NXEPEZFRDDHCOM-QWRGUYRKSA-N 1 3 186.343 2.103 10 0 AEAEHO CCN[C@@H](C)C[C@H](C)[N@@H+](C)C(C)C 82802688 572120154 /nfs/dbraw/zinc/12/01/54/572120154.db2.gz NXEPEZFRDDHCOM-QWRGUYRKSA-N 1 3 186.343 2.103 10 0 AEAEHO C[C@@H](N)C[C@@H](C)[N@H+](C)CC1CCCC1 82802421 572120161 /nfs/dbraw/zinc/12/01/61/572120161.db2.gz ZJYHOVFKTGTWSJ-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](N)C[C@@H](C)[N@@H+](C)CC1CCCC1 82802421 572120163 /nfs/dbraw/zinc/12/01/63/572120163.db2.gz ZJYHOVFKTGTWSJ-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CN[C@@H](C)C[C@@H](C)[N@@H+]1CCCC1(C)C 82802370 572120202 /nfs/dbraw/zinc/12/02/02/572120202.db2.gz AQWBNIPVUBWIJI-WDEREUQCSA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@@H](C)C[C@@H](C)[N@H+]1CCCC1(C)C 82802370 572120205 /nfs/dbraw/zinc/12/02/05/572120205.db2.gz AQWBNIPVUBWIJI-WDEREUQCSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@H](C)C[C@@H](C)[N@@H+]1CCC[C@@H]1C 82802711 572120221 /nfs/dbraw/zinc/12/02/21/572120221.db2.gz 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69730862 572135164 /nfs/dbraw/zinc/13/51/64/572135164.db2.gz KDJBQLUKABNOSZ-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CNCC[C@H]1CCCC[N@H+]1CC(C)C 69730862 572135166 /nfs/dbraw/zinc/13/51/66/572135166.db2.gz KDJBQLUKABNOSZ-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(CC)[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 69724610 572135216 /nfs/dbraw/zinc/13/52/16/572135216.db2.gz ZZTCGTXKXAVOLO-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(CC)[N@H+]1CCC[C@@H]([C@@H](C)N)C1 69724610 572135220 /nfs/dbraw/zinc/13/52/20/572135220.db2.gz ZZTCGTXKXAVOLO-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CNCC[C@H]1CCCC[N@@H+]1C1CCC1 69730700 572135604 /nfs/dbraw/zinc/13/56/04/572135604.db2.gz KJDPHHVZMOKEOL-GFCCVEGCSA-N 1 3 196.338 2.003 10 0 AEAEHO CNCC[C@H]1CCCC[N@H+]1C1CCC1 69730700 572135608 /nfs/dbraw/zinc/13/56/08/572135608.db2.gz KJDPHHVZMOKEOL-GFCCVEGCSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[C@@H](C)[N@@H+]1CCC[C@H]([C@@H](C)N)C1 69724612 572135791 /nfs/dbraw/zinc/13/57/91/572135791.db2.gz GIFWAAGMHPOJLQ-UTUOFQBUSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@@H](C)[N@H+]1CCC[C@H]([C@@H](C)N)C1 69724612 572135794 /nfs/dbraw/zinc/13/57/94/572135794.db2.gz GIFWAAGMHPOJLQ-UTUOFQBUSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@@H]1C[C@@H]1NC[C@H](C)C[NH2+]CC 300378186 572135822 /nfs/dbraw/zinc/13/58/22/572135822.db2.gz GNOSZNSGPREWEU-UTUOFQBUSA-N 1 3 198.354 2.010 10 0 AEAEHO CNCC[C@@H]1CCCC[N@@H+]1C1CCC1 69730699 572135961 /nfs/dbraw/zinc/13/59/61/572135961.db2.gz KJDPHHVZMOKEOL-LBPRGKRZSA-N 1 3 196.338 2.003 10 0 AEAEHO CNCC[C@@H]1CCCC[N@H+]1C1CCC1 69730699 572135965 /nfs/dbraw/zinc/13/59/65/572135965.db2.gz KJDPHHVZMOKEOL-LBPRGKRZSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC(CC)[N@@H+]1CCC[C@H]([C@@H](C)N)C1 69724607 572136350 /nfs/dbraw/zinc/13/63/50/572136350.db2.gz ZZTCGTXKXAVOLO-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(CC)[N@H+]1CCC[C@H]([C@@H](C)N)C1 69724607 572136354 /nfs/dbraw/zinc/13/63/54/572136354.db2.gz ZZTCGTXKXAVOLO-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@@H+]1CCCC[C@@H]1CCNC 69730764 572136433 /nfs/dbraw/zinc/13/64/33/572136433.db2.gz DMZXBNXJJVRONL-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](C)[N@H+]1CCCC[C@@H]1CCNC 69730764 572136437 /nfs/dbraw/zinc/13/64/37/572136437.db2.gz DMZXBNXJJVRONL-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](C)[N@@H+]1C[C@H](CN)CC[C@@H]1C 69727745 572136448 /nfs/dbraw/zinc/13/64/48/572136448.db2.gz CQMWOWPQUJJCAL-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](C)[N@H+]1C[C@H](CN)CC[C@@H]1C 69727745 572136450 /nfs/dbraw/zinc/13/64/50/572136450.db2.gz CQMWOWPQUJJCAL-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@@H]1C[C@@H]1NC[C@@](C)([NH3+])CCC 300377728 572136817 /nfs/dbraw/zinc/13/68/17/572136817.db2.gz GARROUREHGPNRS-WOPDTQHZSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCC[N@@H+]1CCCC[C@@H]1CCNC 69730723 572136866 /nfs/dbraw/zinc/13/68/66/572136866.db2.gz AHEFPXMJVSRETR-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCC[N@H+]1CCCC[C@@H]1CCNC 69730723 572136868 /nfs/dbraw/zinc/13/68/68/572136868.db2.gz AHEFPXMJVSRETR-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC(CC)[N@H+]1C[C@@H](CN)CC[C@@H]1C 69727739 572136981 /nfs/dbraw/zinc/13/69/81/572136981.db2.gz DMAYCKBIQSBCEF-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@@H]1C[C@@H]1NC[C@@H](C)C[NH2+]CC 300378185 572137216 /nfs/dbraw/zinc/13/72/16/572137216.db2.gz GNOSZNSGPREWEU-TUAOUCFPSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)=CCN1CCCC[C@H]1CC[NH3+] 69721033 572137279 /nfs/dbraw/zinc/13/72/79/572137279.db2.gz UFEKVIVVDBTYMZ-LBPRGKRZSA-N 1 3 196.338 2.156 10 0 AEAEHO CC(C)=CC[N@@H+]1CCCC[C@H]1CCN 69721033 572137282 /nfs/dbraw/zinc/13/72/82/572137282.db2.gz UFEKVIVVDBTYMZ-LBPRGKRZSA-N 1 3 196.338 2.156 10 0 AEAEHO CC(C)=CC[N@H+]1CCCC[C@H]1CCN 69721033 572137285 /nfs/dbraw/zinc/13/72/85/572137285.db2.gz UFEKVIVVDBTYMZ-LBPRGKRZSA-N 1 3 196.338 2.156 10 0 AEAEHO CC(C)[C@@H](C)[N@@H+]1CCC[C@H]([C@@H](C)N)C1 69724755 572137336 /nfs/dbraw/zinc/13/73/36/572137336.db2.gz CXBYJIRCFZKLGA-UTUOFQBUSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@@H](C)[N@H+]1CCC[C@H]([C@@H](C)N)C1 69724755 572137339 /nfs/dbraw/zinc/13/73/39/572137339.db2.gz CXBYJIRCFZKLGA-UTUOFQBUSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC(CC)[N@@H+]1C[C@H](CN)CC[C@@H]1C 69727735 572137530 /nfs/dbraw/zinc/13/75/30/572137530.db2.gz DMAYCKBIQSBCEF-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(CC)[N@H+]1C[C@H](CN)CC[C@@H]1C 69727735 572137533 /nfs/dbraw/zinc/13/75/33/572137533.db2.gz DMAYCKBIQSBCEF-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@@H]1C[C@H]1NC[C@](C)([NH3+])CCC 300377726 572137600 /nfs/dbraw/zinc/13/76/00/572137600.db2.gz GARROUREHGPNRS-IJLUTSLNSA-N 1 3 198.354 2.282 10 0 AEAEHO CCC[C@@H]1C[C@@H]1NC[C@](C)([NH3+])CCC 300377725 572137666 /nfs/dbraw/zinc/13/76/66/572137666.db2.gz GARROUREHGPNRS-GRYCIOLGSA-N 1 3 198.354 2.282 10 0 AEAEHO CCC[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)N)C1 69724614 572137786 /nfs/dbraw/zinc/13/77/86/572137786.db2.gz GIFWAAGMHPOJLQ-TUAOUCFPSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)N)C1 69724614 572137790 /nfs/dbraw/zinc/13/77/90/572137790.db2.gz GIFWAAGMHPOJLQ-TUAOUCFPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)=CCN1CCCC[C@@H]1CC[NH3+] 69721030 572137838 /nfs/dbraw/zinc/13/78/38/572137838.db2.gz UFEKVIVVDBTYMZ-GFCCVEGCSA-N 1 3 196.338 2.156 10 0 AEAEHO CC(C)=CC[N@@H+]1CCCC[C@@H]1CCN 69721030 572137840 /nfs/dbraw/zinc/13/78/40/572137840.db2.gz UFEKVIVVDBTYMZ-GFCCVEGCSA-N 1 3 196.338 2.156 10 0 AEAEHO CC(C)=CC[N@H+]1CCCC[C@@H]1CCN 69721030 572137843 /nfs/dbraw/zinc/13/78/43/572137843.db2.gz UFEKVIVVDBTYMZ-GFCCVEGCSA-N 1 3 196.338 2.156 10 0 AEAEHO CNCC[C@@H]1CCCC[N@@H+]1CC(C)C 69730864 572137908 /nfs/dbraw/zinc/13/79/08/572137908.db2.gz KDJBQLUKABNOSZ-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CNCC[C@@H]1CCCC[N@H+]1CC(C)C 69730864 572137911 /nfs/dbraw/zinc/13/79/11/572137911.db2.gz KDJBQLUKABNOSZ-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO C[NH2+][C@H](C)CN[C@@H]1CCC[C@H](C)CC1 300362667 572138623 /nfs/dbraw/zinc/13/86/23/572138623.db2.gz CUOFRJBRFKHUGB-QJPTWQEYSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@@H]1C[C@H]1NCC[C@H](C)[NH2+]CC 300379353 572138700 /nfs/dbraw/zinc/13/87/00/572138700.db2.gz HEPWYKTUFSTIEI-QJPTWQEYSA-N 1 3 198.354 2.153 10 0 AEAEHO C[NH2+][C@H](C)CN[C@H]1CCC[C@H](C)CC1 300362668 572138844 /nfs/dbraw/zinc/13/88/44/572138844.db2.gz CUOFRJBRFKHUGB-TUAOUCFPSA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@H](N)[C@@H](C)[NH2+][C@H](C)c1ccccc1 687710692 572138937 /nfs/dbraw/zinc/13/89/37/572138937.db2.gz OOUFAUGTKUJRGF-HBNTYKKESA-N 1 3 192.306 2.073 10 0 AEAEHO CCC[C@@H]1C[C@@H]1NCC[C@H](C)[NH2+]CC 300379355 572139343 /nfs/dbraw/zinc/13/93/43/572139343.db2.gz HEPWYKTUFSTIEI-TUAOUCFPSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@](C)(CC)CN 300379385 572139357 /nfs/dbraw/zinc/13/93/57/572139357.db2.gz HHXYNZQOMMCVCE-GRYCIOLGSA-N 1 3 198.354 2.140 10 0 AEAEHO C[C@H](N)[C@H](C)[NH2+][C@H](C)c1ccccc1 687710687 572139392 /nfs/dbraw/zinc/13/93/92/572139392.db2.gz OOUFAUGTKUJRGF-GARJFASQSA-N 1 3 192.306 2.073 10 0 AEAEHO CCC[C@@H]1C[C@H]1[NH2+]C[C@](C)(CC)CN 300379386 572139676 /nfs/dbraw/zinc/13/96/76/572139676.db2.gz HHXYNZQOMMCVCE-IJLUTSLNSA-N 1 3 198.354 2.140 10 0 AEAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@](C)(CC)CN 300379387 572140213 /nfs/dbraw/zinc/14/02/13/572140213.db2.gz HHXYNZQOMMCVCE-WOPDTQHZSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@@H]1C[C@@H]1[NH2+]CC(CC)(CC)CN 300379318 572140613 /nfs/dbraw/zinc/14/06/13/572140613.db2.gz HDACUSFFEYGBKP-MNOVXSKESA-N 1 3 198.354 2.140 10 0 AEAEHO CCC[C@@H]1C[C@@H]1NCC[C@@H](C)[NH2+]CC 300379357 572140686 /nfs/dbraw/zinc/14/06/86/572140686.db2.gz HEPWYKTUFSTIEI-UTUOFQBUSA-N 1 3 198.354 2.153 10 0 AEAEHO CC1(C[NH2+]CC[C@@H](N)C(C)(C)C)CC1 300362259 572140791 /nfs/dbraw/zinc/14/07/91/572140791.db2.gz CLVHNUKSLNGKFE-SNVBAGLBSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@@H]1C[C@H]1[NH2+]CC[C@H](N)C(C)(C)C 300374968 572141431 /nfs/dbraw/zinc/14/14/31/572141431.db2.gz CICNDUNSYUKXQG-MXWKQRLJSA-N 1 3 198.354 2.138 10 0 AEAEHO CCC[C@@H]1C[C@@H]1NC[C@H]([NH3+])[C@H](C)CC 300374204 572141658 /nfs/dbraw/zinc/14/16/58/572141658.db2.gz BMPRPVAAYNOVEW-WYUUTHIRSA-N 1 3 198.354 2.138 10 0 AEAEHO CCC[C@@H]1C[C@@H]1NC[C@@H]([NH3+])[C@@H](C)CC 300374201 572141741 /nfs/dbraw/zinc/14/17/41/572141741.db2.gz BMPRPVAAYNOVEW-QCNOEVLYSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@@H]1C[C@@H]1[NH2+]CC[C@@H](N)C(C)(C)C 300374970 572141751 /nfs/dbraw/zinc/14/17/51/572141751.db2.gz CICNDUNSYUKXQG-OUAUKWLOSA-N 1 3 198.354 2.138 10 0 AEAEHO CCC[C@@H]1C[C@@H]1NC[C@H]([NH3+])[C@@H](C)CC 300374202 572142303 /nfs/dbraw/zinc/14/23/03/572142303.db2.gz BMPRPVAAYNOVEW-USZNOCQGSA-N 1 3 198.354 2.138 10 0 AEAEHO CCC[C@@H]1C[C@@H]1NCC1([NH3+])CCCC1 300373108 572142563 /nfs/dbraw/zinc/14/25/63/572142563.db2.gz ADZQMBRLPVZLSD-MNOVXSKESA-N 1 3 196.338 2.036 10 0 AEAEHO CCC[C@@H]1C[C@@H]1NC[C@@H]([NH3+])[C@H](C)CC 300374199 572143028 /nfs/dbraw/zinc/14/30/28/572143028.db2.gz BMPRPVAAYNOVEW-KKOKHZNYSA-N 1 3 198.354 2.138 10 0 AEAEHO C[C@H](N)CC[NH2+][C@H]1CCC[C@H](C)CC1 300381863 572144252 /nfs/dbraw/zinc/14/42/52/572144252.db2.gz VQQQPGQVVCVCRM-SRVKXCTJSA-N 1 3 198.354 2.282 10 0 AEAEHO CCC[C@@H]1C[C@@H]1NCCC[NH2+]C(C)C 300381990 572145105 /nfs/dbraw/zinc/14/51/05/572145105.db2.gz JZSCUPPBTPFUOF-NEPJUHHUSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](CN)C[NH2+][C@@H]1C[C@H]1CCC 300382481 572145461 /nfs/dbraw/zinc/14/54/61/572145461.db2.gz KMDMETKGYSWKDJ-IJLUTSLNSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@@H]1C[C@@H]1NCC1([NH3+])CCCCC1 300381558 572145558 /nfs/dbraw/zinc/14/55/58/572145558.db2.gz JILOIKMQSRBJFK-MNOVXSKESA-N 1 3 196.338 2.036 10 0 AEAEHO CCC[C@H](CN)C[NH2+][C@H]1C[C@H]1CCC 300382483 572145815 /nfs/dbraw/zinc/14/58/15/572145815.db2.gz KMDMETKGYSWKDJ-UTUOFQBUSA-N 1 3 198.354 2.140 10 0 AEAEHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@H](C)CC1 300381862 572146487 /nfs/dbraw/zinc/14/64/87/572146487.db2.gz VQQQPGQVVCVCRM-SDDRHHMPSA-N 1 3 198.354 2.282 10 0 AEAEHO CCC[C@@H]1C[C@@H]1NC[C@@H]([NH3+])CC(C)C 300383276 572147578 /nfs/dbraw/zinc/14/75/78/572147578.db2.gz LDFSPTRZALZWSH-WOPDTQHZSA-N 1 3 198.354 2.138 10 0 AEAEHO CCC[C@@H]1C[C@@H]1NC[C@H]([NH3+])CC(C)C 300383275 572147799 /nfs/dbraw/zinc/14/77/99/572147799.db2.gz LDFSPTRZALZWSH-UTUOFQBUSA-N 1 3 198.354 2.138 10 0 AEAEHO C[C@@H](N)CC[NH2+]CC1(C)CCCCC1 235154292 572148193 /nfs/dbraw/zinc/14/81/93/572148193.db2.gz QKZWLWSJHQIMEW-LLVKDONJSA-N 1 3 198.354 2.284 10 0 AEAEHO CCC[C@@H]1C[C@H]1NC[C@H]([NH3+])CC(C)C 300383274 572149047 /nfs/dbraw/zinc/14/90/47/572149047.db2.gz LDFSPTRZALZWSH-IJLUTSLNSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@H](C)[N@H+](CC)CCCNC1CC1 37478575 572150278 /nfs/dbraw/zinc/15/02/78/572150278.db2.gz VKXNFMKUOQVFLO-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)CCCNC1CC1 37478575 572150280 /nfs/dbraw/zinc/15/02/80/572150280.db2.gz VKXNFMKUOQVFLO-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](C)[N@H+](C)CCCNC1CC1 37478629 572150405 /nfs/dbraw/zinc/15/04/05/572150405.db2.gz JZVHZBFOCRYKHT-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](C)[N@@H+](C)CCCNC1CC1 37478629 572150408 /nfs/dbraw/zinc/15/04/08/572150408.db2.gz JZVHZBFOCRYKHT-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](C)N(C)CCC[NH2+]C1CC1 37478629 572150410 /nfs/dbraw/zinc/15/04/10/572150410.db2.gz JZVHZBFOCRYKHT-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@H+](CC)CCCNC1CC1 37478501 572150419 /nfs/dbraw/zinc/15/04/19/572150419.db2.gz LCSJOFVULSWPJM-UHFFFAOYSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCC[N@@H+](CC)CCCNC1CC1 37478501 572150421 /nfs/dbraw/zinc/15/04/21/572150421.db2.gz LCSJOFVULSWPJM-UHFFFAOYSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCN(CC)CCC[NH2+]C1CC1 37478501 572150423 /nfs/dbraw/zinc/15/04/23/572150423.db2.gz LCSJOFVULSWPJM-UHFFFAOYSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[C@@H](C)[N@H+](C)CCCNC1CC1 37478628 572150432 /nfs/dbraw/zinc/15/04/32/572150432.db2.gz JZVHZBFOCRYKHT-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@@H](C)[N@@H+](C)CCCNC1CC1 37478628 572150434 /nfs/dbraw/zinc/15/04/34/572150434.db2.gz JZVHZBFOCRYKHT-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@@H](C)N(C)CCC[NH2+]C1CC1 37478628 572150437 /nfs/dbraw/zinc/15/04/37/572150437.db2.gz JZVHZBFOCRYKHT-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)[NH2+]CCCN1CCC[C@@H](C)C1 37480262 572150626 /nfs/dbraw/zinc/15/06/26/572150626.db2.gz ACXZFZWQFBTCQX-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO C[N@H+](CCCNC1CC1)C1CCCC1 37478556 572152096 /nfs/dbraw/zinc/15/20/96/572152096.db2.gz QSHRVKJRPWVQFK-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)[NH2+]CCCN1CCC[C@H](C)C1 37480263 572150821 /nfs/dbraw/zinc/15/08/21/572150821.db2.gz ACXZFZWQFBTCQX-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO C[N@@H+](CCCNC1CC1)C1CCCC1 37478556 572152098 /nfs/dbraw/zinc/15/20/98/572152098.db2.gz QSHRVKJRPWVQFK-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CCCCC[N@H+](C)CC1(N)CCCC1 37479613 572150903 /nfs/dbraw/zinc/15/09/03/572150903.db2.gz CTZPYUODUXQEKX-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CCCCC[N@@H+](C)CC1(N)CCCC1 37479613 572150906 /nfs/dbraw/zinc/15/09/06/572150906.db2.gz CTZPYUODUXQEKX-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CN(CCC[NH2+]C1CC1)C1CCCC1 37478556 572152100 /nfs/dbraw/zinc/15/21/00/572152100.db2.gz QSHRVKJRPWVQFK-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CCN(CCC[NH2+]C(C)C)C(C)C 37480289 572151197 /nfs/dbraw/zinc/15/11/97/572151197.db2.gz ONKMJSYLIIABIO-UHFFFAOYSA-N 1 3 186.343 2.105 10 0 AEAEHO CC[N@H+](CCCNC(C)C)C(C)C 37480289 572151201 /nfs/dbraw/zinc/15/12/01/572151201.db2.gz ONKMJSYLIIABIO-UHFFFAOYSA-N 1 3 186.343 2.105 10 0 AEAEHO CC[N@@H+](CCCNC(C)C)C(C)C 37480289 572151202 /nfs/dbraw/zinc/15/12/02/572151202.db2.gz ONKMJSYLIIABIO-UHFFFAOYSA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[N@H+](CC1(N)CCCC1)C1CC1 37479605 572151328 /nfs/dbraw/zinc/15/13/28/572151328.db2.gz STBCRBYCNCVTNW-UHFFFAOYSA-N 1 3 196.338 2.132 10 0 AEAEHO CCC[N@@H+](CC1(N)CCCC1)C1CC1 37479605 572151329 /nfs/dbraw/zinc/15/13/29/572151329.db2.gz STBCRBYCNCVTNW-UHFFFAOYSA-N 1 3 196.338 2.132 10 0 AEAEHO CC(C)[NH2+]CCCN(C)C1CCCC1 37480292 572151358 /nfs/dbraw/zinc/15/13/58/572151358.db2.gz VEEGSNNUGWHADI-UHFFFAOYSA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)NCCC[N@H+](C)C1CCCC1 37480292 572151362 /nfs/dbraw/zinc/15/13/62/572151362.db2.gz VEEGSNNUGWHADI-UHFFFAOYSA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)NCCC[N@@H+](C)C1CCCC1 37480292 572151365 /nfs/dbraw/zinc/15/13/65/572151365.db2.gz VEEGSNNUGWHADI-UHFFFAOYSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@H+](CCCNC1CC1)C(C)C 37478560 572151486 /nfs/dbraw/zinc/15/14/86/572151486.db2.gz IBGQRRVBRIOOKS-UHFFFAOYSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+](CCCNC1CC1)C(C)C 37478560 572151488 /nfs/dbraw/zinc/15/14/88/572151488.db2.gz IBGQRRVBRIOOKS-UHFFFAOYSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)C[N@H+](C)CCCNC1CC1 37478580 572151513 /nfs/dbraw/zinc/15/15/13/572151513.db2.gz MLUCFHFQUQKJPK-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](C)C[N@@H+](C)CCCNC1CC1 37478580 572151517 /nfs/dbraw/zinc/15/15/17/572151517.db2.gz MLUCFHFQUQKJPK-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](C)CN(C)CCC[NH2+]C1CC1 37478580 572151520 /nfs/dbraw/zinc/15/15/20/572151520.db2.gz MLUCFHFQUQKJPK-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)[C@H](C)[N@H+](C)CCCNC1CC1 37478623 572151694 /nfs/dbraw/zinc/15/16/94/572151694.db2.gz SMKLTCSGWMXOKV-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[C@H](C)[N@@H+](C)CCCNC1CC1 37478623 572151697 /nfs/dbraw/zinc/15/16/97/572151697.db2.gz SMKLTCSGWMXOKV-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[NH2+]CCCN(C)[C@@H](C)C1CC1 37480323 572151787 /nfs/dbraw/zinc/15/17/87/572151787.db2.gz QPQKEJZOUFEWNY-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)NCCC[N@H+](C)[C@@H](C)C1CC1 37480323 572151789 /nfs/dbraw/zinc/15/17/89/572151789.db2.gz QPQKEJZOUFEWNY-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)NCCC[N@@H+](C)[C@@H](C)C1CC1 37480323 572151791 /nfs/dbraw/zinc/15/17/91/572151791.db2.gz QPQKEJZOUFEWNY-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[C@@H](C)[N@H+](C)CCCNC1CC1 37478622 572151838 /nfs/dbraw/zinc/15/18/38/572151838.db2.gz SMKLTCSGWMXOKV-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[C@@H](C)[N@@H+](C)CCCNC1CC1 37478622 572151840 /nfs/dbraw/zinc/15/18/40/572151840.db2.gz SMKLTCSGWMXOKV-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@H+](CCCN)C1CCC(C)CC1 82848496 572151978 /nfs/dbraw/zinc/15/19/78/572151978.db2.gz YCTAEULCMMXVTO-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[N@@H+](CCCN)C1CCC(C)CC1 82848496 572151980 /nfs/dbraw/zinc/15/19/80/572151980.db2.gz YCTAEULCMMXVTO-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCCN(C)CCC[NH2+]C1CC1 37478578 572152045 /nfs/dbraw/zinc/15/20/45/572152045.db2.gz BOPXJYSHVFCCCN-UHFFFAOYSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCC[N@H+](C)CCCNC1CC1 37478578 572152047 /nfs/dbraw/zinc/15/20/47/572152047.db2.gz BOPXJYSHVFCCCN-UHFFFAOYSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCC[N@@H+](C)CCCNC1CC1 37478578 572152051 /nfs/dbraw/zinc/15/20/51/572152051.db2.gz BOPXJYSHVFCCCN-UHFFFAOYSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[C@@H](C)[N@H+](CC)CCCNC1CC1 37478574 572152382 /nfs/dbraw/zinc/15/23/82/572152382.db2.gz VKXNFMKUOQVFLO-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)[N@@H+](CC)CCCNC1CC1 37478574 572152384 /nfs/dbraw/zinc/15/23/84/572152384.db2.gz VKXNFMKUOQVFLO-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](C)C[N@H+](C)CCCNC1CC1 37478581 572152416 /nfs/dbraw/zinc/15/24/16/572152416.db2.gz MLUCFHFQUQKJPK-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)C[N@@H+](C)CCCNC1CC1 37478581 572152419 /nfs/dbraw/zinc/15/24/19/572152419.db2.gz MLUCFHFQUQKJPK-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)CN(C)CCC[NH2+]C1CC1 37478581 572152421 /nfs/dbraw/zinc/15/24/21/572152421.db2.gz MLUCFHFQUQKJPK-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@H+](CCCNC1CC1)C1CC1 37478562 572152509 /nfs/dbraw/zinc/15/25/09/572152509.db2.gz AMBVWBJABHEJDI-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@@H+](CCCNC1CC1)C1CC1 37478562 572152511 /nfs/dbraw/zinc/15/25/11/572152511.db2.gz AMBVWBJABHEJDI-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CCCN(CCC[NH2+]C1CC1)C1CC1 37478562 572152515 /nfs/dbraw/zinc/15/25/15/572152515.db2.gz AMBVWBJABHEJDI-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC(CC)[N@H+](C)CCCNC1CC1 37478626 572152581 /nfs/dbraw/zinc/15/25/81/572152581.db2.gz AQODNHOMHDBFEE-UHFFFAOYSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC(CC)[N@@H+](C)CCCNC1CC1 37478626 572152585 /nfs/dbraw/zinc/15/25/85/572152585.db2.gz AQODNHOMHDBFEE-UHFFFAOYSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](C)N(C)CCC[NH2+]C(C)C 37480299 572152806 /nfs/dbraw/zinc/15/28/06/572152806.db2.gz XEPKIBANCCBCFZ-NSHDSACASA-N 1 3 186.343 2.105 10 0 AEAEHO CC[C@H](C)[N@H+](C)CCCNC(C)C 37480299 572152809 /nfs/dbraw/zinc/15/28/09/572152809.db2.gz XEPKIBANCCBCFZ-NSHDSACASA-N 1 3 186.343 2.105 10 0 AEAEHO CC[C@H](C)[N@@H+](C)CCCNC(C)C 37480299 572152812 /nfs/dbraw/zinc/15/28/12/572152812.db2.gz XEPKIBANCCBCFZ-NSHDSACASA-N 1 3 186.343 2.105 10 0 AEAEHO C[C@H]1C[C@@H]([N@H+](C)CCCN)CC[C@H]1C 82841738 572154134 /nfs/dbraw/zinc/15/41/34/572154134.db2.gz MHRPJAIZUHNVNJ-WOPDTQHZSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[NH2+]CCCN(C)[C@H](C)C1CC1 37480324 572152996 /nfs/dbraw/zinc/15/29/96/572152996.db2.gz QPQKEJZOUFEWNY-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)NCCC[N@H+](C)[C@H](C)C1CC1 37480324 572153001 /nfs/dbraw/zinc/15/30/01/572153001.db2.gz QPQKEJZOUFEWNY-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)NCCC[N@@H+](C)[C@H](C)C1CC1 37480324 572153005 /nfs/dbraw/zinc/15/30/05/572153005.db2.gz QPQKEJZOUFEWNY-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@H]1C[C@@H]([N@@H+](C)CCCN)CC[C@H]1C 82841738 572154137 /nfs/dbraw/zinc/15/41/37/572154137.db2.gz MHRPJAIZUHNVNJ-WOPDTQHZSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCCN(C)CCC[NH2+]C(C)C 37480268 572153112 /nfs/dbraw/zinc/15/31/12/572153112.db2.gz BPYDYTOQYOTIJB-UHFFFAOYSA-N 1 3 186.343 2.106 10 0 AEAEHO C[C@H]1CC[C@H]([N@H+](C)CCCN)C[C@@H]1C 82841739 572153114 /nfs/dbraw/zinc/15/31/14/572153114.db2.gz MHRPJAIZUHNVNJ-SRVKXCTJSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H]1CC[C@H]([N@@H+](C)CCCN)C[C@@H]1C 82841739 572153115 /nfs/dbraw/zinc/15/31/15/572153115.db2.gz MHRPJAIZUHNVNJ-SRVKXCTJSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCN(CC)CCC[NH2+]C(C)C 37480293 572153175 /nfs/dbraw/zinc/15/31/75/572153175.db2.gz WOHNTIWFKBABQX-UHFFFAOYSA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[N@H+](CC)CCCNC(C)C 37480293 572153177 /nfs/dbraw/zinc/15/31/77/572153177.db2.gz WOHNTIWFKBABQX-UHFFFAOYSA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[N@@H+](CC)CCCNC(C)C 37480293 572153179 /nfs/dbraw/zinc/15/31/79/572153179.db2.gz WOHNTIWFKBABQX-UHFFFAOYSA-N 1 3 186.343 2.106 10 0 AEAEHO CCCN(CCC[NH2+]C(C)C)C1CC1 37480295 572153228 /nfs/dbraw/zinc/15/32/28/572153228.db2.gz UOPMIQLJESIHMI-UHFFFAOYSA-N 1 3 198.354 2.249 10 0 AEAEHO C[C@H]1CC[C@@H]([N@H+](C)CCCN)C[C@@H]1C 82841744 572153256 /nfs/dbraw/zinc/15/32/56/572153256.db2.gz MHRPJAIZUHNVNJ-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H]1CC[C@@H]([N@@H+](C)CCCN)C[C@@H]1C 82841744 572153258 /nfs/dbraw/zinc/15/32/58/572153258.db2.gz MHRPJAIZUHNVNJ-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](C)N(C)CCC[NH2+]C(C)C 37480298 572153271 /nfs/dbraw/zinc/15/32/71/572153271.db2.gz XEPKIBANCCBCFZ-LLVKDONJSA-N 1 3 186.343 2.105 10 0 AEAEHO CC[C@@H](C)[N@H+](C)CCCNC(C)C 37480298 572153272 /nfs/dbraw/zinc/15/32/72/572153272.db2.gz XEPKIBANCCBCFZ-LLVKDONJSA-N 1 3 186.343 2.105 10 0 AEAEHO CC[C@@H](C)[N@@H+](C)CCCNC(C)C 37480298 572153274 /nfs/dbraw/zinc/15/32/74/572153274.db2.gz XEPKIBANCCBCFZ-LLVKDONJSA-N 1 3 186.343 2.105 10 0 AEAEHO C[C@H]1C[C@H]([N@H+](C)CCCN)CC[C@H]1C 82841741 572154155 /nfs/dbraw/zinc/15/41/55/572154155.db2.gz MHRPJAIZUHNVNJ-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H]1C[C@H]([N@@H+](C)CCCN)CC[C@H]1C 82841741 572154158 /nfs/dbraw/zinc/15/41/58/572154158.db2.gz MHRPJAIZUHNVNJ-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)N(C)CCC[NH2+]C(C)(C)C 37482901 572153692 /nfs/dbraw/zinc/15/36/92/572153692.db2.gz SPERKUAZTJMIRV-UHFFFAOYSA-N 1 3 186.343 2.105 10 0 AEAEHO CCN(CCC[NH2+]C(C)(C)C)C1CC1 37482931 572153760 /nfs/dbraw/zinc/15/37/60/572153760.db2.gz KJSOBJYUWYDPRZ-UHFFFAOYSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[C@@H](N)C[NH+]1CCC(C)CC1 37480772 572153927 /nfs/dbraw/zinc/15/39/27/572153927.db2.gz CSOXHPLCNWOKHQ-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCN(C)CCC[NH2+]C(C)(C)C 37482949 572155329 /nfs/dbraw/zinc/15/53/29/572155329.db2.gz TWXSWRAGRBXOIX-UHFFFAOYSA-N 1 3 186.343 2.106 10 0 AEAEHO CCCC[C@@H](N)C[N@H+](C)CCCC 37480832 572155749 /nfs/dbraw/zinc/15/57/49/572155749.db2.gz NGFLXULHBJJPSW-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCCC[C@@H](N)C[N@@H+](C)CCCC 37480832 572155751 /nfs/dbraw/zinc/15/57/51/572155751.db2.gz NGFLXULHBJJPSW-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCCC[N@H+](C)C[C@](C)(N)CCC 37480833 572155898 /nfs/dbraw/zinc/15/58/98/572155898.db2.gz NHRACLFNFQIFMJ-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCCC[N@@H+](C)C[C@](C)(N)CCC 37480833 572155900 /nfs/dbraw/zinc/15/59/00/572155900.db2.gz NHRACLFNFQIFMJ-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO C[C@@H](N)CC[NH2+][C@H]1CCC[C@@H](C)CC1 235155660 572156595 /nfs/dbraw/zinc/15/65/95/572156595.db2.gz VQQQPGQVVCVCRM-UTUOFQBUSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCCC[N@H+](C)C[C@@](C)(N)C1CC1 37479227 572156980 /nfs/dbraw/zinc/15/69/80/572156980.db2.gz NWRFCTXMYMGUBK-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCC[N@@H+](C)C[C@@](C)(N)C1CC1 37479227 572156986 /nfs/dbraw/zinc/15/69/86/572156986.db2.gz NWRFCTXMYMGUBK-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[C@H](N)C[N@H+](C)CCCC 37480831 572157027 /nfs/dbraw/zinc/15/70/27/572157027.db2.gz NGFLXULHBJJPSW-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCCC[C@H](N)C[N@@H+](C)CCCC 37480831 572157029 /nfs/dbraw/zinc/15/70/29/572157029.db2.gz NGFLXULHBJJPSW-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCCC[N@H+](C)C[C@@](C)(N)CCC 37480834 572157230 /nfs/dbraw/zinc/15/72/30/572157230.db2.gz NHRACLFNFQIFMJ-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCCC[N@@H+](C)C[C@@](C)(N)CCC 37480834 572157235 /nfs/dbraw/zinc/15/72/35/572157235.db2.gz NHRACLFNFQIFMJ-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCCCC[N@H+](C)C[C@](C)(N)C1CC1 37479226 572157346 /nfs/dbraw/zinc/15/73/46/572157346.db2.gz NWRFCTXMYMGUBK-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCC[N@@H+](C)C[C@](C)(N)C1CC1 37479226 572157349 /nfs/dbraw/zinc/15/73/49/572157349.db2.gz NWRFCTXMYMGUBK-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[C@H]([NH3+])CN[C@@H]1C[C@H]1CCC 300392985 572162573 /nfs/dbraw/zinc/16/25/73/572162573.db2.gz XJVISUUTKVEPGQ-GRYCIOLGSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCCC[NH2+]C[C@@H]1CCN(CC)C1 37484268 572162053 /nfs/dbraw/zinc/16/20/53/572162053.db2.gz DRRVYSNWNOQKFC-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO CNCC[C@H](C)[N@@H+]1CCCCC[C@H]1C 69945769 572162064 /nfs/dbraw/zinc/16/20/64/572162064.db2.gz MPMIDAGWYOFXHO-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CNCC[C@H](C)[N@H+]1CCCCC[C@H]1C 69945769 572162067 /nfs/dbraw/zinc/16/20/67/572162067.db2.gz MPMIDAGWYOFXHO-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[NH2+]C[C@H]1CCN(CC)C1 37484269 572162112 /nfs/dbraw/zinc/16/21/12/572162112.db2.gz DRRVYSNWNOQKFC-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CC[C@H](CCN)[N@@H+]1CCCCC[C@@H]1C 69944401 572162301 /nfs/dbraw/zinc/16/23/01/572162301.db2.gz WUSLOOWVPNKBDR-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](CCN)[N@H+]1CCCCC[C@@H]1C 69944401 572162304 /nfs/dbraw/zinc/16/23/04/572162304.db2.gz WUSLOOWVPNKBDR-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CNCC[C@H](C)[N@@H+]1CCCCC[C@@H]1C 69945770 572162746 /nfs/dbraw/zinc/16/27/46/572162746.db2.gz MPMIDAGWYOFXHO-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CNCC[C@H](C)[N@H+]1CCCCC[C@@H]1C 69945770 572162748 /nfs/dbraw/zinc/16/27/48/572162748.db2.gz MPMIDAGWYOFXHO-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCNCCC[N@@H+]1CCCCC[C@H]1C 69944789 572163958 /nfs/dbraw/zinc/16/39/58/572163958.db2.gz MKNPBMMNDHWWOO-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCNCCC[N@H+]1CCCCC[C@H]1C 69944789 572163961 /nfs/dbraw/zinc/16/39/61/572163961.db2.gz MKNPBMMNDHWWOO-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[NH2+]CCCN1CCCCC[C@H]1C 69944789 572163966 /nfs/dbraw/zinc/16/39/66/572163966.db2.gz MKNPBMMNDHWWOO-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CNC[C@H](C)C[N@@H+]1CCCCC[C@H]1C 69945767 572163994 /nfs/dbraw/zinc/16/39/94/572163994.db2.gz LNIFYJBYSUAKNB-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CNC[C@H](C)C[N@H+]1CCCCC[C@H]1C 69945767 572163996 /nfs/dbraw/zinc/16/39/96/572163996.db2.gz LNIFYJBYSUAKNB-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@H](C)CC[N@@H+]1CCCCC[C@H]1C 69944764 572165040 /nfs/dbraw/zinc/16/50/40/572165040.db2.gz CXNLDZAVAMLMDP-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@H](C)CC[N@H+]1CCCCC[C@H]1C 69944764 572165043 /nfs/dbraw/zinc/16/50/43/572165043.db2.gz CXNLDZAVAMLMDP-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH+](CCC)[C@H]1CCNC[C@H]1C 70045528 572165910 /nfs/dbraw/zinc/16/59/10/572165910.db2.gz XWVPGEZVYCKTOU-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCCCN1CCC[NH2+]CCC1 70020283 572166258 /nfs/dbraw/zinc/16/62/58/572166258.db2.gz ZRRHUMAVZDHJTD-UHFFFAOYSA-N 1 3 198.354 2.252 10 0 AEAEHO CCCCCC[NH+]1CCCNCCC1 70020283 572166261 /nfs/dbraw/zinc/16/62/61/572166261.db2.gz ZRRHUMAVZDHJTD-UHFFFAOYSA-N 1 3 198.354 2.252 10 0 AEAEHO CCC[NH+](CCC)[C@@H]1CCNC[C@H]1C 70045526 572167087 /nfs/dbraw/zinc/16/70/87/572167087.db2.gz XWVPGEZVYCKTOU-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH+](CCC)[C@@H]1CCNC[C@@H]1C 70045523 572167156 /nfs/dbraw/zinc/16/71/56/572167156.db2.gz XWVPGEZVYCKTOU-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H]1C[C@@H]1NCC([NH3+])(CC)CC 300395063 572167197 /nfs/dbraw/zinc/16/71/97/572167197.db2.gz ZYVFKGGFUCMVGX-MNOVXSKESA-N 1 3 198.354 2.282 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@H]1CCNC[C@@H]1C 70045671 572168182 /nfs/dbraw/zinc/16/81/82/572168182.db2.gz GSKLXXORKBZPPS-JQWIXIFHSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)[N@H+](C)[C@H]1CCNC[C@@H]1C 70045671 572168179 /nfs/dbraw/zinc/16/81/79/572168179.db2.gz GSKLXXORKBZPPS-JQWIXIFHSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCC[N@H+](C)[C@H]1CCNC[C@@H]1C 70045601 572169854 /nfs/dbraw/zinc/16/98/54/572169854.db2.gz WCORUQPDRSRNKQ-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@H+](C(C)C)[C@@H]1CCNC[C@@H]1C 70045578 572168607 /nfs/dbraw/zinc/16/86/07/572168607.db2.gz PRBCRYVKJJTBKF-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@@H]1CCNC[C@@H]1C 70045578 572168609 /nfs/dbraw/zinc/16/86/09/572168609.db2.gz PRBCRYVKJJTBKF-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@H+](C(C)C)[C@H]1CCNC[C@@H]1C 70045579 572168840 /nfs/dbraw/zinc/16/88/40/572168840.db2.gz PRBCRYVKJJTBKF-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@H]1CCNC[C@@H]1C 70045579 572168843 /nfs/dbraw/zinc/16/88/43/572168843.db2.gz PRBCRYVKJJTBKF-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[N@H+](CC)[C@@H]1CCNC[C@@H]1C 70045597 572169415 /nfs/dbraw/zinc/16/94/15/572169415.db2.gz MWDXCQLSWIFBST-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[N@@H+](CC)[C@@H]1CCNC[C@@H]1C 70045597 572169419 /nfs/dbraw/zinc/16/94/19/572169419.db2.gz MWDXCQLSWIFBST-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)[N@H+](C)[C@@H]1CCNC[C@@H]1C 70045669 572170091 /nfs/dbraw/zinc/17/00/91/572170091.db2.gz GSKLXXORKBZPPS-CMPLNLGQSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@@H]1CCNC[C@@H]1C 70045669 572170092 /nfs/dbraw/zinc/17/00/92/572170092.db2.gz GSKLXXORKBZPPS-CMPLNLGQSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@@H](C)[N@H+](C)[C@@H]1CCNC[C@@H]1C 70045672 572169705 /nfs/dbraw/zinc/16/97/05/572169705.db2.gz YAKAUOXCLCUILQ-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@@H](C)[N@@H+](C)[C@@H]1CCNC[C@@H]1C 70045672 572169707 /nfs/dbraw/zinc/16/97/07/572169707.db2.gz YAKAUOXCLCUILQ-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCC[N@H+](C)[C@@H]1CCNC[C@@H]1C 70045600 572169802 /nfs/dbraw/zinc/16/98/02/572169802.db2.gz WCORUQPDRSRNKQ-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@@H+](C)[C@@H]1CCNC[C@@H]1C 70045600 572169806 /nfs/dbraw/zinc/16/98/06/572169806.db2.gz WCORUQPDRSRNKQ-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@@H+](C)[C@H]1CCNC[C@@H]1C 70045601 572169857 /nfs/dbraw/zinc/16/98/57/572169857.db2.gz WCORUQPDRSRNKQ-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)[N@H+](CC)[C@@H]1CCNC[C@@H]1C 70045599 572170187 /nfs/dbraw/zinc/17/01/87/572170187.db2.gz MWDXCQLSWIFBST-SDDRHHMPSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)[C@@H]1CCNC[C@@H]1C 70045599 572170189 /nfs/dbraw/zinc/17/01/89/572170189.db2.gz MWDXCQLSWIFBST-SDDRHHMPSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@H](C)[N@H+](C)[C@@H]1CCNC[C@@H]1C 70045674 572170239 /nfs/dbraw/zinc/17/02/39/572170239.db2.gz YAKAUOXCLCUILQ-SDDRHHMPSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@H](C)[N@@H+](C)[C@@H]1CCNC[C@@H]1C 70045674 572170243 /nfs/dbraw/zinc/17/02/43/572170243.db2.gz YAKAUOXCLCUILQ-SDDRHHMPSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCC[N@H+](CCCN)CC(C)C 43417408 572171379 /nfs/dbraw/zinc/17/13/79/572171379.db2.gz RRENRYFZQGJOLD-UHFFFAOYSA-N 1 3 186.343 2.093 10 0 AEAEHO CCCC[N@@H+](CCCN)CC(C)C 43417408 572171382 /nfs/dbraw/zinc/17/13/82/572171382.db2.gz RRENRYFZQGJOLD-UHFFFAOYSA-N 1 3 186.343 2.093 10 0 AEAEHO CCC[C@H](C)[N@@H+]1CC[C@](C)(CNC)C1 300400297 572172667 /nfs/dbraw/zinc/17/26/67/572172667.db2.gz VSYTYRPPFKAMHV-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](C)[N@H+]1CC[C@](C)(CNC)C1 300400297 572172674 /nfs/dbraw/zinc/17/26/74/572172674.db2.gz VSYTYRPPFKAMHV-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@H+](CC)[C@@H]1CCNC[C@@H]1C 70045374 572172778 /nfs/dbraw/zinc/17/27/78/572172778.db2.gz IHRREYHVTNRJOR-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@@H+](CC)[C@@H]1CCNC[C@@H]1C 70045374 572172780 /nfs/dbraw/zinc/17/27/80/572172780.db2.gz IHRREYHVTNRJOR-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](C)[N@@H+]1CC[C@](C)(CNC)C1 300400298 572172854 /nfs/dbraw/zinc/17/28/54/572172854.db2.gz VSYTYRPPFKAMHV-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](C)[N@H+]1CC[C@](C)(CNC)C1 300400298 572172856 /nfs/dbraw/zinc/17/28/56/572172856.db2.gz VSYTYRPPFKAMHV-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@@H+](CC)[C@H]1CCNC[C@@H]1C 70045376 572173670 /nfs/dbraw/zinc/17/36/70/572173670.db2.gz IHRREYHVTNRJOR-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)(C)C[NH2+]C[C@@H]1CCCC[C@@H]1N 82922332 572173318 /nfs/dbraw/zinc/17/33/18/572173318.db2.gz CYYIACXRDFJFPT-QWRGUYRKSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)(C)C[NH2+]C[C@H]1CCCC[C@@H]1N 82922333 572173689 /nfs/dbraw/zinc/17/36/89/572173689.db2.gz CYYIACXRDFJFPT-MNOVXSKESA-N 1 3 198.354 2.140 10 0 AEAEHO CCCC[N@H+](CC)[C@H]1CCNC[C@@H]1C 70045376 572173667 /nfs/dbraw/zinc/17/36/67/572173667.db2.gz IHRREYHVTNRJOR-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)C[NH2+]C[C@H]1CCCC[C@@H]1N 82922483 572173960 /nfs/dbraw/zinc/17/39/60/572173960.db2.gz MGQWZTDWKPNLOJ-TUAOUCFPSA-N 1 3 198.354 2.140 10 0 AEAEHO CCCC[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1N 82922447 572174019 /nfs/dbraw/zinc/17/40/19/572174019.db2.gz ZORYVYDBMOWSEZ-TUAOUCFPSA-N 1 3 198.354 2.282 10 0 AEAEHO CC[C@@H](C)C[NH2+]C[C@@H]1CCCC[C@@H]1N 82922480 572174270 /nfs/dbraw/zinc/17/42/70/572174270.db2.gz MGQWZTDWKPNLOJ-WOPDTQHZSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)(C)C[NH2+]C[C@@H]1CCCC[C@H]1N 82922334 572174355 /nfs/dbraw/zinc/17/43/55/572174355.db2.gz CYYIACXRDFJFPT-WDEREUQCSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@@H](C)C[NH2+]C[C@H]1CCCC[C@@H]1N 82922482 572174404 /nfs/dbraw/zinc/17/44/04/572174404.db2.gz MGQWZTDWKPNLOJ-UTUOFQBUSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@H](C)C[NH2+]C[C@@H]1CCCC[C@@H]1N 82922481 572174803 /nfs/dbraw/zinc/17/48/03/572174803.db2.gz MGQWZTDWKPNLOJ-SRVKXCTJSA-N 1 3 198.354 2.140 10 0 AEAEHO CCCC[C@@H](C)[NH2+]C[C@@H]1CCC[C@@H]1N 82922444 572175286 /nfs/dbraw/zinc/17/52/86/572175286.db2.gz ZORYVYDBMOWSEZ-WOPDTQHZSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCC[C@@H](C)[NH2+]C[C@H]1CCC[C@@H]1N 82922446 572175305 /nfs/dbraw/zinc/17/53/05/572175305.db2.gz ZORYVYDBMOWSEZ-UTUOFQBUSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCCCC[C@@H](C)[NH2+]CCCN 37713544 572178852 /nfs/dbraw/zinc/17/88/52/572178852.db2.gz VSZQKSGQIWCCKX-LLVKDONJSA-N 1 3 186.343 2.284 10 0 AEAEHO CCCC[C@@H](C)CNCC[NH2+]CC 300961939 572177081 /nfs/dbraw/zinc/17/70/81/572177081.db2.gz QPAHDUZLAVAEST-LLVKDONJSA-N 1 3 186.343 2.012 10 0 AEAEHO CCCC[C@H](C)CNCC[NH2+]CC 300961941 572178006 /nfs/dbraw/zinc/17/80/06/572178006.db2.gz QPAHDUZLAVAEST-NSHDSACASA-N 1 3 186.343 2.012 10 0 AEAEHO CC[NH+](CC)C(CC)(CC)CCN 84347385 572178401 /nfs/dbraw/zinc/17/84/01/572178401.db2.gz BZSBWPSNPVHXLV-UHFFFAOYSA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[N@H+]1CCCN[C@@H]([C@@H](C)CC)C1 82941188 572180777 /nfs/dbraw/zinc/18/07/77/572180777.db2.gz PEFKRKJFECZVPM-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCN1CCC[NH2+][C@@H]([C@@H](C)CC)C1 82941188 572180779 /nfs/dbraw/zinc/18/07/79/572180779.db2.gz PEFKRKJFECZVPM-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCCC[C@H](C)[NH2+]CCCN 37713545 572179418 /nfs/dbraw/zinc/17/94/18/572179418.db2.gz VSZQKSGQIWCCKX-NSHDSACASA-N 1 3 186.343 2.284 10 0 AEAEHO CNC[C@H](C)C[N@@H+]1[C@@H](C)CCC[C@H]1C 70066197 572179492 /nfs/dbraw/zinc/17/94/92/572179492.db2.gz GXZXEHMHGNUPHN-SDDRHHMPSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@H](C)C[N@H+]1[C@@H](C)CCC[C@H]1C 70066197 572179496 /nfs/dbraw/zinc/17/94/96/572179496.db2.gz GXZXEHMHGNUPHN-SDDRHHMPSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@H](C)C[NH+]1[C@@H](C)CCC[C@@H]1C 70066198 572179770 /nfs/dbraw/zinc/17/97/70/572179770.db2.gz GXZXEHMHGNUPHN-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@H](C)C[NH+]1[C@H](C)CCC[C@H]1C 70066199 572179904 /nfs/dbraw/zinc/17/99/04/572179904.db2.gz GXZXEHMHGNUPHN-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)CN1CCC[NH2+][C@@H](CC)C1 82941912 572180094 /nfs/dbraw/zinc/18/00/94/572180094.db2.gz HKEAMGRKBDVQGJ-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO C[NH2+]CCNC(C)(C)CC(C)(C)C 43437389 572180732 /nfs/dbraw/zinc/18/07/32/572180732.db2.gz CGFAKFOUFROGJP-UHFFFAOYSA-N 1 3 186.343 2.010 10 0 AEAEHO CCC[N@@H+]1CCCN[C@@H]([C@@H](C)CC)C1 82941188 572180776 /nfs/dbraw/zinc/18/07/76/572180776.db2.gz PEFKRKJFECZVPM-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@@H+]1CCCN[C@H]([C@@H](C)CC)C1 82941186 572181467 /nfs/dbraw/zinc/18/14/67/572181467.db2.gz PEFKRKJFECZVPM-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@H+]1CCCN[C@H]([C@@H](C)CC)C1 82941186 572181470 /nfs/dbraw/zinc/18/14/70/572181470.db2.gz PEFKRKJFECZVPM-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCN1CCC[NH2+][C@H]([C@@H](C)CC)C1 82941186 572181474 /nfs/dbraw/zinc/18/14/74/572181474.db2.gz PEFKRKJFECZVPM-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)CN1CCC[NH2+][C@H](CC)C1 82941910 572181634 /nfs/dbraw/zinc/18/16/34/572181634.db2.gz HKEAMGRKBDVQGJ-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[C@H](C)C[NH2+]CCCNC 300968674 572189640 /nfs/dbraw/zinc/18/96/40/572189640.db2.gz RONPCFGHVJDZHS-NSHDSACASA-N 1 3 186.343 2.012 10 0 AEAEHO CCCC[C@@H](C)C[NH2+]CCCNC 300968180 572190239 /nfs/dbraw/zinc/19/02/39/572190239.db2.gz RONPCFGHVJDZHS-LLVKDONJSA-N 1 3 186.343 2.012 10 0 AEAEHO CCC[C@@H](C)N1CCC[NH2+][C@H](CC)C1 83091372 572193861 /nfs/dbraw/zinc/19/38/61/572193861.db2.gz HKYUUVHIXDLOFQ-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](C)N1CCC[NH2+][C@H](CC)C1 83091373 572194001 /nfs/dbraw/zinc/19/40/01/572194001.db2.gz HKYUUVHIXDLOFQ-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC(CC)(CC)[NH+]1CCC(N)CC1 83388175 572207556 /nfs/dbraw/zinc/20/75/56/572207556.db2.gz NWJWLGGEUWHSIZ-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC(CC)(CC)[NH2+]CC[C@H](C)N 83388620 572207992 /nfs/dbraw/zinc/20/79/92/572207992.db2.gz GENTWZQTLFMVRR-JTQLQIEISA-N 1 3 186.343 2.282 10 0 AEAEHO CCC(CC)(CC)NC[C@@H]1CCC[NH2+]1 83388675 572208003 /nfs/dbraw/zinc/20/80/03/572208003.db2.gz GIAFHHPFXKGNNC-NSHDSACASA-N 1 3 198.354 2.297 10 0 AEAEHO CCC(CC)(CC)[NH2+]C[C@@H]1CCCN1 83388675 572208005 /nfs/dbraw/zinc/20/80/05/572208005.db2.gz GIAFHHPFXKGNNC-NSHDSACASA-N 1 3 198.354 2.297 10 0 AEAEHO CCC(CC)(CC)[N@@H+]1CC[C@H](CN)C1 83388192 572208315 /nfs/dbraw/zinc/20/83/15/572208315.db2.gz FWIBDYAZEAAHDV-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)(CC)[N@H+]1CC[C@H](CN)C1 83388192 572208320 /nfs/dbraw/zinc/20/83/20/572208320.db2.gz FWIBDYAZEAAHDV-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)(CC)[NH2+]C[C@@H](C)CN 83388626 572208568 /nfs/dbraw/zinc/20/85/68/572208568.db2.gz CNOCDQBTSCNURP-JTQLQIEISA-N 1 3 186.343 2.140 10 0 AEAEHO CCC(CC)(CC)[NH2+]C[C@H](C)CN 83388627 572208589 /nfs/dbraw/zinc/20/85/89/572208589.db2.gz CNOCDQBTSCNURP-SNVBAGLBSA-N 1 3 186.343 2.140 10 0 AEAEHO CC[N@@H+](C1CCCCC1)[C@@H](C)CCN 41042500 572211903 /nfs/dbraw/zinc/21/19/03/572211903.db2.gz OSTIXTRYGWYUNX-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CC[N@H+](C1CCCCC1)[C@@H](C)CCN 41042500 572211906 /nfs/dbraw/zinc/21/19/06/572211906.db2.gz OSTIXTRYGWYUNX-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CC[N@@H+](C1CCCCC1)[C@H](C)CCN 41042501 572212930 /nfs/dbraw/zinc/21/29/30/572212930.db2.gz OSTIXTRYGWYUNX-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[N@H+](C1CCCCC1)[C@H](C)CCN 41042501 572212931 /nfs/dbraw/zinc/21/29/31/572212931.db2.gz OSTIXTRYGWYUNX-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](C)[NH2+][C@@H]1CCCN(CC)CC1 83421423 572216561 /nfs/dbraw/zinc/21/65/61/572216561.db2.gz DALTVJYXNCTIQS-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@@H]1CCCN(CCC)CC1 83421267 572216206 /nfs/dbraw/zinc/21/62/06/572216206.db2.gz ZHACMBQNYWILLL-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[C@@H](C)[NH2+][C@H]1CCCN(CC)CC1 83421432 572216636 /nfs/dbraw/zinc/21/66/36/572216636.db2.gz DALTVJYXNCTIQS-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](C)[NH2+][C@H]1CCCN(CC)CC1 83421433 572216664 /nfs/dbraw/zinc/21/66/64/572216664.db2.gz DALTVJYXNCTIQS-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[NH2+][C@H]1CCCN(CC)CC1 83421622 572216837 /nfs/dbraw/zinc/21/68/37/572216837.db2.gz SAJNVJFXMRBYGD-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[NH2+][C@H]1CCCN(C(C)C)CC1 83421264 572216805 /nfs/dbraw/zinc/21/68/05/572216805.db2.gz JOXYHUBUSUAEDN-LBPRGKRZSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)[NH2+][C@@H]1CCCN(CC)CC1 83421422 572217063 /nfs/dbraw/zinc/21/70/63/572217063.db2.gz DALTVJYXNCTIQS-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN1CCC[C@@H]([NH2+]CC(C)C)CC1 83421440 572217506 /nfs/dbraw/zinc/21/75/06/572217506.db2.gz SFJZBSVXQJADAL-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCN1CCC[C@@H]([NH2+]C2CC2)CC1 83421187 572218231 /nfs/dbraw/zinc/21/82/31/572218231.db2.gz AFSSLUFHNFIRFA-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@@H+]1CCC[C@@H](NC2CC2)CC1 83421187 572218234 /nfs/dbraw/zinc/21/82/34/572218234.db2.gz AFSSLUFHNFIRFA-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@H+]1CCC[C@@H](NC2CC2)CC1 83421187 572218236 /nfs/dbraw/zinc/21/82/36/572218236.db2.gz AFSSLUFHNFIRFA-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCCC[NH2+][C@@H]1CCCN(CC)CC1 83421620 572218788 /nfs/dbraw/zinc/21/87/88/572218788.db2.gz SAJNVJFXMRBYGD-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[NH2+][C@H]1CCCN(CCC)CC1 83421270 572218548 /nfs/dbraw/zinc/21/85/48/572218548.db2.gz ZHACMBQNYWILLL-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCN1CCC[C@H]([NH2+]C2CC2)CC1 83421185 572218608 /nfs/dbraw/zinc/21/86/08/572218608.db2.gz AFSSLUFHNFIRFA-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@@H+]1CCC[C@H](NC2CC2)CC1 83421185 572218612 /nfs/dbraw/zinc/21/86/12/572218612.db2.gz AFSSLUFHNFIRFA-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@H+]1CCC[C@H](NC2CC2)CC1 83421185 572218614 /nfs/dbraw/zinc/21/86/14/572218614.db2.gz AFSSLUFHNFIRFA-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CCCN1CCC[C@@H]([NH2+]C(C)C)CC1 83421391 572218997 /nfs/dbraw/zinc/21/89/97/572218997.db2.gz AEDPQCVPUGKKDU-GFCCVEGCSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCN1CCC[C@H]([NH2+]C(C)C)CC1 83421389 572219168 /nfs/dbraw/zinc/21/91/68/572219168.db2.gz AEDPQCVPUGKKDU-LBPRGKRZSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@@H]1CCCN(C(C)C)CC1 83421263 572219270 /nfs/dbraw/zinc/21/92/70/572219270.db2.gz JOXYHUBUSUAEDN-GFCCVEGCSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN1CCC[C@H]([NH2+]CC(C)C)CC1 83421439 572219194 /nfs/dbraw/zinc/21/91/94/572219194.db2.gz SFJZBSVXQJADAL-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[C@]1(C)[C@H]([NH3+])CCN1CC 711973336 572220020 /nfs/dbraw/zinc/22/00/20/572220020.db2.gz BMCDYRCBJRVJOZ-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H]1CCC[C@H]([NH2+]CCCN)CC1 83435569 572220162 /nfs/dbraw/zinc/22/01/62/572220162.db2.gz USXBWIDHTNKGEN-RYUDHWBXSA-N 1 3 198.354 2.284 10 0 AEAEHO CC[C@@H]1CCC[C@@H]([NH2+]CCCN)CC1 83435570 572220512 /nfs/dbraw/zinc/22/05/12/572220512.db2.gz USXBWIDHTNKGEN-VXGBXAGGSA-N 1 3 198.354 2.284 10 0 AEAEHO CC1(C)CCC[C@@H]([NH2+]CCCN)CC1 83435573 572220564 /nfs/dbraw/zinc/22/05/64/572220564.db2.gz YUJZISKEPPZELP-LLVKDONJSA-N 1 3 198.354 2.284 10 0 AEAEHO CC1(C)CCC[C@H]([NH2+]CCCN)CC1 83435572 572220682 /nfs/dbraw/zinc/22/06/82/572220682.db2.gz YUJZISKEPPZELP-NSHDSACASA-N 1 3 198.354 2.284 10 0 AEAEHO CC[C@H]1CCC[C@@H]([NH2+]CCCN)CC1 83435571 572221818 /nfs/dbraw/zinc/22/18/18/572221818.db2.gz USXBWIDHTNKGEN-NWDGAFQWSA-N 1 3 198.354 2.284 10 0 AEAEHO CCC(CC)[N@H+](C)CC[C@@H](C)NC 43895951 572223773 /nfs/dbraw/zinc/22/37/73/572223773.db2.gz DUYZXBBWBDOBOH-SNVBAGLBSA-N 1 3 186.343 2.105 10 0 AEAEHO CC[C@@H]1CCC[C@H]([NH2+]CCCN)CC1 83435568 572222281 /nfs/dbraw/zinc/22/22/81/572222281.db2.gz USXBWIDHTNKGEN-NEPJUHHUSA-N 1 3 198.354 2.284 10 0 AEAEHO C/C=C/C[N@@H+]1CCCN[C@](C)(CC)C1 234112693 572222794 /nfs/dbraw/zinc/22/27/94/572222794.db2.gz ULOYCWWADTYYCL-FVOPLDGLSA-N 1 3 196.338 2.027 10 0 AEAEHO C/C=C/C[N@H+]1CCCN[C@](C)(CC)C1 234112693 572222796 /nfs/dbraw/zinc/22/27/96/572222796.db2.gz ULOYCWWADTYYCL-FVOPLDGLSA-N 1 3 196.338 2.027 10 0 AEAEHO CCC(CC)[N@@H+](C)CC[C@@H](C)NC 43895951 572223775 /nfs/dbraw/zinc/22/37/75/572223775.db2.gz DUYZXBBWBDOBOH-SNVBAGLBSA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[NH2+][C@H](C)CCN1CCC[C@@H]1C 43903918 572225483 /nfs/dbraw/zinc/22/54/83/572225483.db2.gz KYGAJJTYHMBRBI-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@H](C)CC[N@H+](CC1CC1)C(C)C 43974493 572230515 /nfs/dbraw/zinc/23/05/15/572230515.db2.gz OKDNBUZRJSCMSF-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H](C)CC[N@@H+](CC1CC1)C(C)C 43974493 572230519 /nfs/dbraw/zinc/23/05/19/572230519.db2.gz OKDNBUZRJSCMSF-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@@H](CN)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 42491956 572235715 /nfs/dbraw/zinc/23/57/15/572235715.db2.gz RXMKGTOMUACXBA-WOPDTQHZSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](CN)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 42491956 572235717 /nfs/dbraw/zinc/23/57/17/572235717.db2.gz RXMKGTOMUACXBA-WOPDTQHZSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](CCN)[N@H+](C)[C@H]1CCC[C@@H](C)C1 42492003 572236147 /nfs/dbraw/zinc/23/61/47/572236147.db2.gz CRRLZXIETKCDHF-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](CCN)[N@@H+](C)[C@H]1CCC[C@@H](C)C1 42492003 572236150 /nfs/dbraw/zinc/23/61/50/572236150.db2.gz CRRLZXIETKCDHF-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]1CCCN1CCC[NH2+]C(C)(C)C 37911228 572238911 /nfs/dbraw/zinc/23/89/11/572238911.db2.gz FOPHEAIVBHVJBW-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[C@H]([NH3+])CN1CCC[C@@H]1CC 37914211 572239491 /nfs/dbraw/zinc/23/94/91/572239491.db2.gz HRJLMOJTTCAZBA-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CC(C)C[C@H](C)C[NH2+][C@]1(C)CCNC1 300998787 572240294 /nfs/dbraw/zinc/24/02/94/572240294.db2.gz WUGCFDHGLURKGA-NWDGAFQWSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)C[C@@H](C)C[NH2+][C@]1(C)CCNC1 300998793 572240395 /nfs/dbraw/zinc/24/03/95/572240395.db2.gz WUGCFDHGLURKGA-VXGBXAGGSA-N 1 3 198.354 2.010 10 0 AEAEHO CN[C@@H](C[N@@H+]1CCC[C@H]1C)C(C)(C)C 43902424 572240534 /nfs/dbraw/zinc/24/05/34/572240534.db2.gz LTPGHUCWIAGKKC-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H](C[N@H+]1CCC[C@H]1C)C(C)(C)C 43902424 572240537 /nfs/dbraw/zinc/24/05/37/572240537.db2.gz LTPGHUCWIAGKKC-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCCC1(CCC)[C@@H](NC)CC[N@@H+]1C 712022451 572240599 /nfs/dbraw/zinc/24/05/99/572240599.db2.gz UDAWHEPKGIRBMA-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC1(CCC)[C@@H](NC)CC[N@H+]1C 712022451 572240600 /nfs/dbraw/zinc/24/06/00/572240600.db2.gz UDAWHEPKGIRBMA-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@H](C)CCN1CC[C@H](C)C1 43909413 572240635 /nfs/dbraw/zinc/24/06/35/572240635.db2.gz DMLPCYIJWZLMEJ-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN[C@H](C)[C@H](C)[N@@H+]1CCC[C@H]1CC 43904732 572240852 /nfs/dbraw/zinc/24/08/52/572240852.db2.gz AYMQFIBHMKJTNW-GRYCIOLGSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@H](C)[C@H](C)[N@H+]1CCC[C@H]1CC 43904732 572240853 /nfs/dbraw/zinc/24/08/53/572240853.db2.gz AYMQFIBHMKJTNW-GRYCIOLGSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@H](C)CC[N@@H+]1CCC[C@H]1CC 43904703 572240894 /nfs/dbraw/zinc/24/08/94/572240894.db2.gz TXIKZMVFNODJNV-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@H](C)CC[N@H+]1CCC[C@H]1CC 43904703 572240896 /nfs/dbraw/zinc/24/08/96/572240896.db2.gz TXIKZMVFNODJNV-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+][C@H](C)CCN1CCC[C@H]1CC 43904703 572240897 /nfs/dbraw/zinc/24/08/97/572240897.db2.gz TXIKZMVFNODJNV-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+][C@@H](C)CCN1CCC[C@H](C)C1 43811899 572241112 /nfs/dbraw/zinc/24/11/12/572241112.db2.gz QEYVLERFFGHQRR-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC1(CCC)[C@H](NC)CC[N@@H+]1C 712022449 572241279 /nfs/dbraw/zinc/24/12/79/572241279.db2.gz UDAWHEPKGIRBMA-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC1(CCC)[C@H](NC)CC[N@H+]1C 712022449 572241282 /nfs/dbraw/zinc/24/12/82/572241282.db2.gz UDAWHEPKGIRBMA-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+][C@H](C)CCN1CCC[C@H](C)C1 43811900 572241374 /nfs/dbraw/zinc/24/13/74/572241374.db2.gz QEYVLERFFGHQRR-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)CC[N@H+]1C[C@H](CN)CC[C@H]1C 44412921 572243239 /nfs/dbraw/zinc/24/32/39/572243239.db2.gz AWBVDOAQSAWIPA-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[NH2+][C@@H](C)CCN1CC[C@H](C)C1 43909409 572241826 /nfs/dbraw/zinc/24/18/26/572241826.db2.gz DMLPCYIJWZLMEJ-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](C(C)C)[N@@H+]1CCC[C@H](CN)C1 44527554 572243338 /nfs/dbraw/zinc/24/33/38/572243338.db2.gz KDEBWRBFQNLOCD-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](C(C)C)[N@H+]1CCC[C@H](CN)C1 44527554 572243339 /nfs/dbraw/zinc/24/33/39/572243339.db2.gz KDEBWRBFQNLOCD-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CN[C@H](C)CC[NH+]1[C@H](C)CCC[C@H]1C 43815587 572241949 /nfs/dbraw/zinc/24/19/49/572241949.db2.gz MQTNBBASISDRDG-IJLUTSLNSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[NH2+][C@H](C)CCN(C)[C@H](C)CC 43887613 572242006 /nfs/dbraw/zinc/24/20/06/572242006.db2.gz QNFJVMUOHDXNMQ-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CCN[C@H](C)CC[N@H+](C)[C@H](C)CC 43887613 572242008 /nfs/dbraw/zinc/24/20/08/572242008.db2.gz QNFJVMUOHDXNMQ-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CCN[C@H](C)CC[N@@H+](C)[C@H](C)CC 43887613 572242009 /nfs/dbraw/zinc/24/20/09/572242009.db2.gz QNFJVMUOHDXNMQ-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CC[C@H](C(C)C)[N@@H+]1CCC[C@H](CN)C1 44527555 572242963 /nfs/dbraw/zinc/24/29/63/572242963.db2.gz KDEBWRBFQNLOCD-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C(C)C)[N@H+]1CCC[C@H](CN)C1 44527555 572242964 /nfs/dbraw/zinc/24/29/64/572242964.db2.gz KDEBWRBFQNLOCD-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@@H](C)[N@@H+]1CCC[C@H](CN)C1 44527590 572243079 /nfs/dbraw/zinc/24/30/79/572243079.db2.gz DDNWPFPHJDCIIY-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@@H](C)[N@H+]1CCC[C@H](CN)C1 44527590 572243081 /nfs/dbraw/zinc/24/30/81/572243081.db2.gz DDNWPFPHJDCIIY-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[N@@H+]1C[C@@H](CN)CC[C@H]1C 44412918 572243184 /nfs/dbraw/zinc/24/31/84/572243184.db2.gz AWBVDOAQSAWIPA-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[N@H+]1C[C@@H](CN)CC[C@H]1C 44412918 572243187 /nfs/dbraw/zinc/24/31/87/572243187.db2.gz AWBVDOAQSAWIPA-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[N@@H+]1C[C@H](CN)CC[C@H]1C 44412921 572243237 /nfs/dbraw/zinc/24/32/37/572243237.db2.gz AWBVDOAQSAWIPA-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@H](C)[N@@H+]1CCC[C@H](CN)C1 44527591 572243599 /nfs/dbraw/zinc/24/35/99/572243599.db2.gz DDNWPFPHJDCIIY-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@H](C)[N@H+]1CCC[C@H](CN)C1 44527591 572243600 /nfs/dbraw/zinc/24/36/00/572243600.db2.gz DDNWPFPHJDCIIY-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CN(CCC[NH2+]C(C)(C)C)CC1CC1 37925753 572244005 /nfs/dbraw/zinc/24/40/05/572244005.db2.gz RMHCYDONAZWCII-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH2+][C@@H]1CCN(C(C)C)[C@H](C)C1 49694203 572249133 /nfs/dbraw/zinc/24/91/33/572249133.db2.gz NOYHVDJLELUFCJ-VXGBXAGGSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(CC)[N@@H+]1CC[C@H](NC)[C@H](C)C1 49709079 572250519 /nfs/dbraw/zinc/25/05/19/572250519.db2.gz WDDBUWCENWGNHS-PWSUYJOCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)[N@H+]1CC[C@H](NC)[C@H](C)C1 49709079 572250520 /nfs/dbraw/zinc/25/05/20/572250520.db2.gz WDDBUWCENWGNHS-PWSUYJOCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)N1CC[C@H]([NH2+]C)[C@H](C)C1 49709079 572250521 /nfs/dbraw/zinc/25/05/21/572250521.db2.gz WDDBUWCENWGNHS-PWSUYJOCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN(CC[C@@H]1CCCC[NH2+]1)C1CC1 47920696 572246528 /nfs/dbraw/zinc/24/65/28/572246528.db2.gz SBEGJSRRMNAGIZ-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CCN(CC[C@H]1CCCC[NH2+]1)C1CC1 47920698 572247884 /nfs/dbraw/zinc/24/78/84/572247884.db2.gz SBEGJSRRMNAGIZ-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCCCN1CC[C@H]([NH2+]CC)C[C@@H]1C 49707363 572249103 /nfs/dbraw/zinc/24/91/03/572249103.db2.gz ZTPBQGUYVIFFAD-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](C)[N@@H+]1CC[C@H](NC)C[C@@H]1C 49708101 572249213 /nfs/dbraw/zinc/24/92/13/572249213.db2.gz QIWYRGXAYABOGZ-SRVKXCTJSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[C@H](C)[N@H+]1CC[C@H](NC)C[C@@H]1C 49708101 572249215 /nfs/dbraw/zinc/24/92/15/572249215.db2.gz QIWYRGXAYABOGZ-SRVKXCTJSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[C@H](C)N1CC[C@H]([NH2+]C)C[C@@H]1C 49708101 572249217 /nfs/dbraw/zinc/24/92/17/572249217.db2.gz QIWYRGXAYABOGZ-SRVKXCTJSA-N 1 3 198.354 2.247 10 0 AEAEHO C[NH2+][C@H]1CCN(CCC(C)C)[C@H](C)C1 49707391 572249408 /nfs/dbraw/zinc/24/94/08/572249408.db2.gz RDOYDHRQLMWFDS-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CC[N@H+](CCC(C)C)[C@H](C)C1 49707391 572249409 /nfs/dbraw/zinc/24/94/09/572249409.db2.gz RDOYDHRQLMWFDS-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CC[N@@H+](CCC(C)C)[C@H](C)C1 49707391 572249410 /nfs/dbraw/zinc/24/94/10/572249410.db2.gz RDOYDHRQLMWFDS-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCCN1CC[C@@H]([NH2+]C)[C@H](C)C1 49707820 572249432 /nfs/dbraw/zinc/24/94/32/572249432.db2.gz RXQVKSCCDRXXTM-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH2+][C@@H]1CCN(CCC)C[C@@H]1C 49709115 572249438 /nfs/dbraw/zinc/24/94/38/572249438.db2.gz KYMWMZXZZWNEFO-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCN1CC[C@@H]([NH2+]CC)[C@H](C)C1 49707354 572249480 /nfs/dbraw/zinc/24/94/80/572249480.db2.gz NUOHWQTVIBGGOY-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](C)N1CC[C@H]([NH2+]C)[C@H](C)C1 49708088 572249682 /nfs/dbraw/zinc/24/96/82/572249682.db2.gz ZESBHJLUIUIZLN-WOPDTQHZSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@H](C)[N@@H+]1CC[C@H](NC)[C@H](C)C1 49708088 572249684 /nfs/dbraw/zinc/24/96/84/572249684.db2.gz ZESBHJLUIUIZLN-WOPDTQHZSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@H](C)[N@H+]1CC[C@H](NC)[C@H](C)C1 49708088 572249686 /nfs/dbraw/zinc/24/96/86/572249686.db2.gz ZESBHJLUIUIZLN-WOPDTQHZSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@@H]1CCN(CCC(C)C)[C@H](C)C1 49707388 572249702 /nfs/dbraw/zinc/24/97/02/572249702.db2.gz RDOYDHRQLMWFDS-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H]1CC[N@H+](CCC(C)C)[C@H](C)C1 49707388 572249703 /nfs/dbraw/zinc/24/97/03/572249703.db2.gz RDOYDHRQLMWFDS-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H]1CC[N@@H+](CCC(C)C)[C@H](C)C1 49707388 572249704 /nfs/dbraw/zinc/24/97/04/572249704.db2.gz RDOYDHRQLMWFDS-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@@H](C)C[N@@H+]1CCC[C@H](CN)C1 49954063 572249939 /nfs/dbraw/zinc/24/99/39/572249939.db2.gz LRMYBCKQVNZNPP-VXGBXAGGSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@@H](C)C[N@H+]1CCC[C@H](CN)C1 49954063 572249942 /nfs/dbraw/zinc/24/99/42/572249942.db2.gz LRMYBCKQVNZNPP-VXGBXAGGSA-N 1 3 198.354 2.093 10 0 AEAEHO CCCCN1CC[C@H]([NH2+]CC)[C@H](C)C1 49707353 572249963 /nfs/dbraw/zinc/24/99/63/572249963.db2.gz NUOHWQTVIBGGOY-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1CCC[C@H](CN)C1 49954064 572250030 /nfs/dbraw/zinc/25/00/30/572250030.db2.gz LRMYBCKQVNZNPP-NWDGAFQWSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@H](C)C[N@H+]1CCC[C@H](CN)C1 49954064 572250031 /nfs/dbraw/zinc/25/00/31/572250031.db2.gz LRMYBCKQVNZNPP-NWDGAFQWSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC(CC)[N@@H+]1CC[C@@H](NC)[C@H](C)C1 49709081 572250232 /nfs/dbraw/zinc/25/02/32/572250232.db2.gz WDDBUWCENWGNHS-ZYHUDNBSSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)[N@H+]1CC[C@@H](NC)[C@H](C)C1 49709081 572250234 /nfs/dbraw/zinc/25/02/34/572250234.db2.gz WDDBUWCENWGNHS-ZYHUDNBSSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)N1CC[C@@H]([NH2+]C)[C@H](C)C1 49709081 572250236 /nfs/dbraw/zinc/25/02/36/572250236.db2.gz WDDBUWCENWGNHS-ZYHUDNBSSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCCN1CC[C@H]([NH2+]C)[C@H](C)C1 49707819 572250545 /nfs/dbraw/zinc/25/05/45/572250545.db2.gz RXQVKSCCDRXXTM-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](CC)[N@@H+]1CC[C@H](NCC)C1 50404973 572251010 /nfs/dbraw/zinc/25/10/10/572251010.db2.gz KOQOVPDYDZEULG-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@@H](CC)[N@H+]1CC[C@H](NCC)C1 50404973 572251011 /nfs/dbraw/zinc/25/10/11/572251011.db2.gz KOQOVPDYDZEULG-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](CC)[N@@H+]1CC[C@H](N)[C@H](C)C1 50405004 572251283 /nfs/dbraw/zinc/25/12/83/572251283.db2.gz HKIUKGICDGGMAZ-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](CC)[N@H+]1CC[C@H](N)[C@H](C)C1 50405004 572251286 /nfs/dbraw/zinc/25/12/86/572251286.db2.gz HKIUKGICDGGMAZ-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](CC)[N@@H+]1CC[C@H](NCC)C1 50404975 572251555 /nfs/dbraw/zinc/25/15/55/572251555.db2.gz KOQOVPDYDZEULG-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](CC)[N@H+]1CC[C@H](NCC)C1 50404975 572251557 /nfs/dbraw/zinc/25/15/57/572251557.db2.gz KOQOVPDYDZEULG-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@@H](CC[NH+](C)C)C1=CCCCC1 234399641 572251752 /nfs/dbraw/zinc/25/17/52/572251752.db2.gz HTALZHFJIBSWJA-LBPRGKRZSA-N 1 3 196.338 2.027 10 0 AEAEHO CCN[C@H](CC)C[N@@H+]1CCC[C@H]1CC 50179407 572251881 /nfs/dbraw/zinc/25/18/81/572251881.db2.gz XNRPNAACUJAQKQ-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@H](CC)C[N@H+]1CCC[C@H]1CC 50179407 572251882 /nfs/dbraw/zinc/25/18/82/572251882.db2.gz XNRPNAACUJAQKQ-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](C)C[N@@H+]1C[C@H](CN)CC[C@@H]1C 50425105 572251928 /nfs/dbraw/zinc/25/19/28/572251928.db2.gz YXNRMQGWNLIHNN-SRVKXCTJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)C[N@H+]1C[C@H](CN)CC[C@@H]1C 50425105 572251930 /nfs/dbraw/zinc/25/19/30/572251930.db2.gz YXNRMQGWNLIHNN-SRVKXCTJSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](CC)[N@@H+]1CC[C@H](N)C[C@@H]1C 50405026 572251994 /nfs/dbraw/zinc/25/19/94/572251994.db2.gz CPAYSUNVKYHLQF-SRVKXCTJSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC[C@H](CC)[N@H+]1CC[C@H](N)C[C@@H]1C 50405026 572251995 /nfs/dbraw/zinc/25/19/95/572251995.db2.gz CPAYSUNVKYHLQF-SRVKXCTJSA-N 1 3 198.354 2.377 10 0 AEAEHO CCCC[C@@H](CC)CN1CC[C@H]([NH3+])C1 50244004 572252323 /nfs/dbraw/zinc/25/23/23/572252323.db2.gz NDVJGPJEUDBRHI-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[C@H](CC)CN1CC[C@H]([NH3+])C1 50244005 572252410 /nfs/dbraw/zinc/25/24/10/572252410.db2.gz NDVJGPJEUDBRHI-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)[N@H+](C)CCC1(N)CCC1 86853873 572328062 /nfs/dbraw/zinc/32/80/62/572328062.db2.gz BTWQHAVBMYKXKE-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@@H](C)[N@@H+](C)CCC1(N)CCC1 86853873 572328065 /nfs/dbraw/zinc/32/80/65/572328065.db2.gz BTWQHAVBMYKXKE-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@@H](C)N(C)CCC1([NH3+])CCC1 86853873 572328066 /nfs/dbraw/zinc/32/80/66/572328066.db2.gz BTWQHAVBMYKXKE-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO C[N@H+](CCC1(N)CCC1)C1CCCC1 86853837 572328400 /nfs/dbraw/zinc/32/84/00/572328400.db2.gz QVFKTFCJYRIIIA-UHFFFAOYSA-N 1 3 196.338 2.132 10 0 AEAEHO C[N@@H+](CCC1(N)CCC1)C1CCCC1 86853837 572328403 /nfs/dbraw/zinc/32/84/03/572328403.db2.gz QVFKTFCJYRIIIA-UHFFFAOYSA-N 1 3 196.338 2.132 10 0 AEAEHO CN(CCC1([NH3+])CCC1)C1CCCC1 86853837 572328404 /nfs/dbraw/zinc/32/84/04/572328404.db2.gz QVFKTFCJYRIIIA-UHFFFAOYSA-N 1 3 196.338 2.132 10 0 AEAEHO NC1(CC[NH2+]C2CCCCC2)CCC1 86853895 572326402 /nfs/dbraw/zinc/32/64/02/572326402.db2.gz ROXGWWJVJXBJNS-UHFFFAOYSA-N 1 3 196.338 2.180 10 0 AEAEHO CCCCCN(C)CCC1([NH3+])CCC1 86853848 572326439 /nfs/dbraw/zinc/32/64/39/572326439.db2.gz HXKSSVAXKNZWHZ-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CCCC[N@H+](CC)CCC1(N)CCC1 86853810 572326445 /nfs/dbraw/zinc/32/64/45/572326445.db2.gz QKUWRYYUUPQBAL-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CCCC[N@@H+](CC)CCC1(N)CCC1 86853810 572326447 /nfs/dbraw/zinc/32/64/47/572326447.db2.gz QKUWRYYUUPQBAL-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CCCCN(CC)CCC1([NH3+])CCC1 86853810 572326449 /nfs/dbraw/zinc/32/64/49/572326449.db2.gz QKUWRYYUUPQBAL-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CC[C@@H](C)[N@H+](CC)CCC1(N)CCC1 86853846 572326471 /nfs/dbraw/zinc/32/64/71/572326471.db2.gz HIBAXHSEKOEUAH-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H](C)[N@@H+](CC)CCC1(N)CCC1 86853846 572326475 /nfs/dbraw/zinc/32/64/75/572326475.db2.gz HIBAXHSEKOEUAH-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[N@H+](CCC1(N)CCC1)C(C)C 86853839 572326586 /nfs/dbraw/zinc/32/65/86/572326586.db2.gz ADXPUSWIEXOJQQ-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[N@@H+](CCC1(N)CCC1)C(C)C 86853839 572326588 /nfs/dbraw/zinc/32/65/88/572326588.db2.gz ADXPUSWIEXOJQQ-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](C)[N@H+](CC)CCC1(N)CCC1 86853847 572326782 /nfs/dbraw/zinc/32/67/82/572326782.db2.gz HIBAXHSEKOEUAH-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)CCC1(N)CCC1 86853847 572326785 /nfs/dbraw/zinc/32/67/85/572326785.db2.gz HIBAXHSEKOEUAH-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@H](C)[N@H+](C)CCC1(N)CCC1 86853874 572326876 /nfs/dbraw/zinc/32/68/76/572326876.db2.gz BTWQHAVBMYKXKE-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@H](C)[N@@H+](C)CCC1(N)CCC1 86853874 572326879 /nfs/dbraw/zinc/32/68/79/572326879.db2.gz BTWQHAVBMYKXKE-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@H](C)N(C)CCC1([NH3+])CCC1 86853874 572326881 /nfs/dbraw/zinc/32/68/81/572326881.db2.gz BTWQHAVBMYKXKE-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CCCC[C@H](C)[NH2+]CCC1(N)CCC1 86854033 572326981 /nfs/dbraw/zinc/32/69/81/572326981.db2.gz XJKMXJGTIBGBHH-NSHDSACASA-N 1 3 198.354 2.426 10 0 AEAEHO CCCC[C@@H](C)[NH2+]CCC1(N)CCC1 86854032 572327579 /nfs/dbraw/zinc/32/75/79/572327579.db2.gz XJKMXJGTIBGBHH-LLVKDONJSA-N 1 3 198.354 2.426 10 0 AEAEHO CCCN(CCC1([NH3+])CCC1)C1CC1 86853840 572327654 /nfs/dbraw/zinc/32/76/54/572327654.db2.gz LYBRWFQQOJMJJB-UHFFFAOYSA-N 1 3 196.338 2.132 10 0 AEAEHO CC(C)[C@@H](C)[N@H+](C)CCC1(N)CCC1 86853870 572327792 /nfs/dbraw/zinc/32/77/92/572327792.db2.gz ILIFLVITBSVFKP-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[C@@H](C)[N@@H+](C)CCC1(N)CCC1 86853870 572327795 /nfs/dbraw/zinc/32/77/95/572327795.db2.gz ILIFLVITBSVFKP-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[N@H+](CCC1(N)CCC1)CC(C)C 86853845 572327850 /nfs/dbraw/zinc/32/78/50/572327850.db2.gz LRSZYCAVMIDLSF-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[N@@H+](CCC1(N)CCC1)CC(C)C 86853845 572327852 /nfs/dbraw/zinc/32/78/52/572327852.db2.gz LRSZYCAVMIDLSF-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)[C@H](C)[N@H+](C)CCC1(N)CCC1 86853871 572328089 /nfs/dbraw/zinc/32/80/89/572328089.db2.gz ILIFLVITBSVFKP-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[C@H](C)[N@@H+](C)CCC1(N)CCC1 86853871 572328093 /nfs/dbraw/zinc/32/80/93/572328093.db2.gz ILIFLVITBSVFKP-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CN(CCC1([NH3+])CCC1)CC(C)(C)C 86854013 572328173 /nfs/dbraw/zinc/32/81/73/572328173.db2.gz VADDGBULFYIKSU-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO C[N@H+](CCC1(N)CCC1)CC(C)(C)C 86854013 572328174 /nfs/dbraw/zinc/32/81/74/572328174.db2.gz VADDGBULFYIKSU-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO C[N@@H+](CCC1(N)CCC1)CC(C)(C)C 86854013 572328177 /nfs/dbraw/zinc/32/81/77/572328177.db2.gz VADDGBULFYIKSU-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[NH+](CCC)CCC1(N)CCC1 86853807 572328415 /nfs/dbraw/zinc/32/84/15/572328415.db2.gz OZLWYPLDECALIA-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO CCC(CC)[N@H+](C)CCC1(N)CCC1 86853872 572328432 /nfs/dbraw/zinc/32/84/32/572328432.db2.gz GGOWYROOKDMLBO-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC(CC)[N@@H+](C)CCC1(N)CCC1 86853872 572328434 /nfs/dbraw/zinc/32/84/34/572328434.db2.gz GGOWYROOKDMLBO-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO CC(C)CCN(C)CCC1([NH3+])CCC1 86853930 572328485 /nfs/dbraw/zinc/32/84/85/572328485.db2.gz VVKAUEWWRNVJSA-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](C)C[N@H+](C)CCC1(N)CCC1 86853849 572328502 /nfs/dbraw/zinc/32/85/02/572328502.db2.gz AWRNFEMEURRTSP-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](C)C[N@@H+](C)CCC1(N)CCC1 86853849 572328504 /nfs/dbraw/zinc/32/85/04/572328504.db2.gz AWRNFEMEURRTSP-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](C)CN(C)CCC1([NH3+])CCC1 86853849 572328506 /nfs/dbraw/zinc/32/85/06/572328506.db2.gz AWRNFEMEURRTSP-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](C)C[N@H+](C)CCC1(N)CCC1 86853850 572328889 /nfs/dbraw/zinc/32/88/89/572328889.db2.gz AWRNFEMEURRTSP-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](C)C[N@@H+](C)CCC1(N)CCC1 86853850 572328893 /nfs/dbraw/zinc/32/88/93/572328893.db2.gz AWRNFEMEURRTSP-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](C)CN(C)CCC1([NH3+])CCC1 86853850 572328895 /nfs/dbraw/zinc/32/88/95/572328895.db2.gz AWRNFEMEURRTSP-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(C)(C)[N@H+](C)CCC1(N)CCC1 86854097 572329497 /nfs/dbraw/zinc/32/94/97/572329497.db2.gz BIQSRPFICFDVSM-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC(C)(C)[N@@H+](C)CCC1(N)CCC1 86854097 572329499 /nfs/dbraw/zinc/32/94/99/572329499.db2.gz BIQSRPFICFDVSM-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO CC1([NH2+]CCC2(N)CCC2)CCCC1 86854125 572329610 /nfs/dbraw/zinc/32/96/10/572329610.db2.gz QBRFVRQBKVEIMJ-UHFFFAOYSA-N 1 3 196.338 2.180 10 0 AEAEHO CC[NH+](CC)C[C@@H]1CCC(C)(C)[C@H]1N 86871058 572333097 /nfs/dbraw/zinc/33/30/97/572333097.db2.gz QMGLUTPBNBUDCI-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[NH+](CC)C[C@@H]1CCC(C)(C)[C@@H]1N 86871053 572333106 /nfs/dbraw/zinc/33/31/06/572333106.db2.gz QMGLUTPBNBUDCI-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@H](C)C[NH2+]CCC1(N)CCC1 86854121 572331785 /nfs/dbraw/zinc/33/17/85/572331785.db2.gz USGNJCAMGUTKSL-LLVKDONJSA-N 1 3 198.354 2.140 10 0 AEAEHO CCC[N@H+](C)C[C@@H]1CCC(C)(C)[C@@H]1N 86871289 572333168 /nfs/dbraw/zinc/33/31/68/572333168.db2.gz QGVZOZNIRYBSCI-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[NH+](CC)C[C@H]1CCC(C)(C)[C@@H]1N 86871055 572333216 /nfs/dbraw/zinc/33/32/16/572333216.db2.gz QMGLUTPBNBUDCI-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[N@@H+](C)C[C@@H]1CCC(C)(C)[C@@H]1N 86871289 572333171 /nfs/dbraw/zinc/33/31/71/572333171.db2.gz QGVZOZNIRYBSCI-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@@H](C)C[NH2+]CCC1(N)CCC1 86854120 572332331 /nfs/dbraw/zinc/33/23/31/572332331.db2.gz USGNJCAMGUTKSL-NSHDSACASA-N 1 3 198.354 2.140 10 0 AEAEHO CCC[N@H+](C)C[C@H]1CCC(C)(C)[C@@H]1N 86871291 572333055 /nfs/dbraw/zinc/33/30/55/572333055.db2.gz QGVZOZNIRYBSCI-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[N@@H+](C)C[C@H]1CCC(C)(C)[C@@H]1N 86871291 572333059 /nfs/dbraw/zinc/33/30/59/572333059.db2.gz QGVZOZNIRYBSCI-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H]1CC[NH+](C2CCC2)CC[C@H](C)N1 52213819 572335982 /nfs/dbraw/zinc/33/59/82/572335982.db2.gz ATVXJOIVOWPZRI-QWRGUYRKSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@H]1CCN(C2CCC2)CC[C@H](C)[NH2+]1 52213819 572335987 /nfs/dbraw/zinc/33/59/87/572335987.db2.gz ATVXJOIVOWPZRI-QWRGUYRKSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[C@H]1CCN(C2CCC2)CCC[NH2+]1 52213787 572336127 /nfs/dbraw/zinc/33/61/27/572336127.db2.gz IGQPIQQJUZDQII-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO C/C=C\C[N@@H+]1CC(C)(C)NCC[C@@H]1C 393676475 572337649 /nfs/dbraw/zinc/33/76/49/572337649.db2.gz ACCRSOQABHZRTF-GZTOBOFZSA-N 1 3 196.338 2.025 10 0 AEAEHO C/C=C\C[N@H+]1CC(C)(C)NCC[C@@H]1C 393676475 572337651 /nfs/dbraw/zinc/33/76/51/572337651.db2.gz ACCRSOQABHZRTF-GZTOBOFZSA-N 1 3 196.338 2.025 10 0 AEAEHO C[C@@H]1CC[NH+](C2CCC2)CC[C@@H](C)N1 52213822 572338024 /nfs/dbraw/zinc/33/80/24/572338024.db2.gz ATVXJOIVOWPZRI-GHMZBOCLSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@@H]1CCN(C2CCC2)CC[C@@H](C)[NH2+]1 52213822 572338029 /nfs/dbraw/zinc/33/80/29/572338029.db2.gz ATVXJOIVOWPZRI-GHMZBOCLSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@H]1CC[N@@H+](C2CCC2)CC[C@@H](C)N1 52213818 572338938 /nfs/dbraw/zinc/33/89/38/572338938.db2.gz ATVXJOIVOWPZRI-PHIMTYICSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@H]1CC[N@H+](C2CCC2)CC[C@@H](C)N1 52213818 572338941 /nfs/dbraw/zinc/33/89/41/572338941.db2.gz ATVXJOIVOWPZRI-PHIMTYICSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@H]1CCN(C2CCC2)CC[C@@H](C)[NH2+]1 52213818 572338942 /nfs/dbraw/zinc/33/89/42/572338942.db2.gz ATVXJOIVOWPZRI-PHIMTYICSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC[N@@H+]1CCCC[C@H]1C[C@@H](N)CC 238215493 572340379 /nfs/dbraw/zinc/34/03/79/572340379.db2.gz LZYXAJAACKTITQ-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[N@H+]1CCCC[C@H]1C[C@@H](N)CC 238215493 572340381 /nfs/dbraw/zinc/34/03/81/572340381.db2.gz LZYXAJAACKTITQ-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[N@@H+]1CCCC[C@@H]1C[C@@H](N)CC 238215380 572341712 /nfs/dbraw/zinc/34/17/12/572341712.db2.gz LZYXAJAACKTITQ-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[N@H+]1CCCC[C@@H]1C[C@@H](N)CC 238215380 572341714 /nfs/dbraw/zinc/34/17/14/572341714.db2.gz LZYXAJAACKTITQ-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCC[N@H+](CC)C[C@@H](CC)CN 83606447 572344323 /nfs/dbraw/zinc/34/43/23/572344323.db2.gz OTUKPQRLRKIEFL-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CCC[C@H](CN)C[N@@H+]1CCCC[C@@H]1C 83606299 572343187 /nfs/dbraw/zinc/34/31/87/572343187.db2.gz WJXNWLPEENLTFU-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](CN)C[N@@H+](CC1CC1)C(C)C 83608283 572343275 /nfs/dbraw/zinc/34/32/75/572343275.db2.gz JKOQUFCBAMNXMV-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CCCC[N@@H+](CC)C[C@@H](CC)CN 83606447 572344328 /nfs/dbraw/zinc/34/43/28/572344328.db2.gz OTUKPQRLRKIEFL-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CCC[C@@H](CN)C[N@@H+](CC)CCC 83606764 572343038 /nfs/dbraw/zinc/34/30/38/572343038.db2.gz SVXRPLBDEMODNB-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CC[C@@H](CN)C[N@H+](CC)[C@@H](C)CC 83606849 572344035 /nfs/dbraw/zinc/34/40/35/572344035.db2.gz NNQQYUTUAQBMFM-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H](CN)C[N@@H+](CC)[C@@H](C)CC 83606849 572344037 /nfs/dbraw/zinc/34/40/37/572344037.db2.gz NNQQYUTUAQBMFM-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@@H](CN)C[N@H+](CC)CCC 83606764 572343034 /nfs/dbraw/zinc/34/30/34/572343034.db2.gz SVXRPLBDEMODNB-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CCC[C@@H](CN)C[NH+]1CCC(C)CC1 83606250 572343109 /nfs/dbraw/zinc/34/31/09/572343109.db2.gz CTJXTFBAAKHQFA-LBPRGKRZSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](CN)C[NH2+]C1(C)CCCCC1 83608574 572343181 /nfs/dbraw/zinc/34/31/81/572343181.db2.gz XRKUSCGMCIYDFV-NSHDSACASA-N 1 3 198.354 2.284 10 0 AEAEHO CCC[C@H](CN)C[N@H+]1CCCC[C@@H]1C 83606299 572343189 /nfs/dbraw/zinc/34/31/89/572343189.db2.gz WJXNWLPEENLTFU-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)[C@H](CN)C[N@H+](C)C1CCCC1 83606762 572343211 /nfs/dbraw/zinc/34/32/11/572343211.db2.gz LAJWKIBJBRXHQG-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@H](CN)C[N@@H+](C)C1CCCC1 83606762 572343213 /nfs/dbraw/zinc/34/32/13/572343213.db2.gz LAJWKIBJBRXHQG-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@@H](CN)C[NH2+]C1CCCCC1 83607268 572343223 /nfs/dbraw/zinc/34/32/23/572343223.db2.gz RMSCHAOWDVAVEZ-NSHDSACASA-N 1 3 198.354 2.284 10 0 AEAEHO CC[C@@H](CN)C[N@H+](CC1CC1)C(C)C 83608283 572343273 /nfs/dbraw/zinc/34/32/73/572343273.db2.gz JKOQUFCBAMNXMV-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](CN)C[N@H+](CC)C1CCCC1 83606950 572343519 /nfs/dbraw/zinc/34/35/19/572343519.db2.gz GHVXDKMJEWCKTC-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](CN)C[N@@H+]1CCC[C@H](C)C1 83606350 572343466 /nfs/dbraw/zinc/34/34/66/572343466.db2.gz YMQRWFIPNNSXIJ-RYUDHWBXSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@@H](CN)C[N@H+]1CCC[C@H](C)C1 83606350 572343470 /nfs/dbraw/zinc/34/34/70/572343470.db2.gz YMQRWFIPNNSXIJ-RYUDHWBXSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](CN)C[N@@H+](CC)C1CCCC1 83606950 572343521 /nfs/dbraw/zinc/34/35/21/572343521.db2.gz GHVXDKMJEWCKTC-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@H+](CC)C[C@H](CC)CN 83606449 572343495 /nfs/dbraw/zinc/34/34/95/572343495.db2.gz OTUKPQRLRKIEFL-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CCCC[N@@H+](CC)C[C@H](CC)CN 83606449 572343496 /nfs/dbraw/zinc/34/34/96/572343496.db2.gz OTUKPQRLRKIEFL-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CC[C@H](CN)C[NH+]1[C@@H](C)CCC[C@@H]1C 83606601 572343618 /nfs/dbraw/zinc/34/36/18/572343618.db2.gz ACXCCXLNMJTRTL-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](CN)C[N@H+](C)[C@@H](C)C1CC1 83607030 572343675 /nfs/dbraw/zinc/34/36/75/572343675.db2.gz UNUQPPJTSZEGPR-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](CN)C[N@@H+](C)[C@@H](C)C1CC1 83607030 572343676 /nfs/dbraw/zinc/34/36/76/572343676.db2.gz UNUQPPJTSZEGPR-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCC[N@H+](C[C@H](CC)CN)C1CC1 83607851 572344065 /nfs/dbraw/zinc/34/40/65/572344065.db2.gz NGJTYJREESBEDP-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](CN)C[NH+]1CCC(C)CC1 83606252 572343762 /nfs/dbraw/zinc/34/37/62/572343762.db2.gz CTJXTFBAAKHQFA-GFCCVEGCSA-N 1 3 198.354 2.093 10 0 AEAEHO CCCC[N@@H+](C[C@H](CC)CN)C1CC1 83607851 572344066 /nfs/dbraw/zinc/34/40/66/572344066.db2.gz NGJTYJREESBEDP-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCN(C[C@H](CC)C[NH3+])C1CC1 83607851 572344069 /nfs/dbraw/zinc/34/40/69/572344069.db2.gz NGJTYJREESBEDP-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@H+](C)C[C@@H](CN)CCC 83606429 572343919 /nfs/dbraw/zinc/34/39/19/572343919.db2.gz QMBLMPYGTAIZII-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CCCC[N@@H+](C)C[C@@H](CN)CCC 83606429 572343923 /nfs/dbraw/zinc/34/39/23/572343923.db2.gz QMBLMPYGTAIZII-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CCCCN(C)C[C@@H](C[NH3+])CCC 83606429 572343926 /nfs/dbraw/zinc/34/39/26/572343926.db2.gz QMBLMPYGTAIZII-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CC[C@@H](CN)C[N@@H+]1CCCC[C@H]1CC 83606743 572343936 /nfs/dbraw/zinc/34/39/36/572343936.db2.gz QUEQXCCOOYCAHO-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](CN)C[N@H+]1CCCC[C@H]1CC 83606743 572343939 /nfs/dbraw/zinc/34/39/39/572343939.db2.gz QUEQXCCOOYCAHO-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@H+](C[C@@H](CN)C(C)C)C1CC1 83606795 572343952 /nfs/dbraw/zinc/34/39/52/572343952.db2.gz NLNJHOAREDRPAO-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[N@@H+](C[C@@H](CN)C(C)C)C1CC1 83606795 572343955 /nfs/dbraw/zinc/34/39/55/572343955.db2.gz NLNJHOAREDRPAO-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCN(C[C@@H](C[NH3+])C(C)C)C1CC1 83606795 572343960 /nfs/dbraw/zinc/34/39/60/572343960.db2.gz NLNJHOAREDRPAO-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](CN)C[N@H+](C)C1CCCCC1 83606462 572344090 /nfs/dbraw/zinc/34/40/90/572344090.db2.gz JWOLDKHDTYDVFB-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](CN)C[N@@H+](C)C1CCCCC1 83606462 572344092 /nfs/dbraw/zinc/34/40/92/572344092.db2.gz JWOLDKHDTYDVFB-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](CN)C[N@@H+]1CCC[C@H](C)C1 83606352 572344111 /nfs/dbraw/zinc/34/41/11/572344111.db2.gz YMQRWFIPNNSXIJ-NWDGAFQWSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@H](CN)C[N@H+]1CCC[C@H](C)C1 83606352 572344112 /nfs/dbraw/zinc/34/41/12/572344112.db2.gz YMQRWFIPNNSXIJ-NWDGAFQWSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC(CC)[N@@H+](C)C[C@@H](CC)CN 83607055 572344133 /nfs/dbraw/zinc/34/41/33/572344133.db2.gz SJFSYRWRRKVTAF-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CCC(CC)[N@H+](C)C[C@@H](CC)CN 83607055 572344136 /nfs/dbraw/zinc/34/41/36/572344136.db2.gz SJFSYRWRRKVTAF-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H](CN)C[N@H+](CC(C)C)C1CC1 83608240 572344145 /nfs/dbraw/zinc/34/41/45/572344145.db2.gz CUTKIGAUHLBIJR-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](CN)C[N@@H+](CC(C)C)C1CC1 83608240 572344148 /nfs/dbraw/zinc/34/41/48/572344148.db2.gz CUTKIGAUHLBIJR-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](CN)C[N@@H+]1CCC[C@H](CC)C1 83607091 572344168 /nfs/dbraw/zinc/34/41/68/572344168.db2.gz HMGCVRAQDOECNM-RYUDHWBXSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](CN)C[N@H+]1CCC[C@H](CC)C1 83607091 572344170 /nfs/dbraw/zinc/34/41/70/572344170.db2.gz HMGCVRAQDOECNM-RYUDHWBXSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@@H](CN)C[N@H+](CC)C(C)C 83606729 572344430 /nfs/dbraw/zinc/34/44/30/572344430.db2.gz DGNNZIYOVRCVFT-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@@H](CN)C[N@@H+](CC)C(C)C 83606729 572344434 /nfs/dbraw/zinc/34/44/34/572344434.db2.gz DGNNZIYOVRCVFT-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CC(C)[C@@H](CN)C[NH2+]C1CCCCC1 83607275 572344447 /nfs/dbraw/zinc/34/44/47/572344447.db2.gz VTHLWSGBGRYNCE-NSHDSACASA-N 1 3 198.354 2.140 10 0 AEAEHO CCC[C@H](C)[N@H+](C)C[C@@H](CC)CN 83607066 572344459 /nfs/dbraw/zinc/34/44/59/572344459.db2.gz OOVCJHMVHUDIBC-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@H](C)[N@@H+](C)C[C@@H](CC)CN 83607066 572344463 /nfs/dbraw/zinc/34/44/63/572344463.db2.gz OOVCJHMVHUDIBC-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CC(C)[C@H](CN)C[N@@H+]1CCCC[C@@H]1C 83606307 572345388 /nfs/dbraw/zinc/34/53/88/572345388.db2.gz BNTPMNZGVNIERG-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](CN)C[NH2+]C1CCCCCC1 83607248 572344537 /nfs/dbraw/zinc/34/45/37/572344537.db2.gz DOICTXOVKNECDE-LLVKDONJSA-N 1 3 198.354 2.284 10 0 AEAEHO CC[C@@H](CN)C[NH+]1CCCCCCC1 83606666 572344541 /nfs/dbraw/zinc/34/45/41/572344541.db2.gz SBMJAPUXBQWTDX-LBPRGKRZSA-N 1 3 198.354 2.237 10 0 AEAEHO CCC[C@H](CN)C[N@H+](C)[C@@H](C)CC 83606824 572344600 /nfs/dbraw/zinc/34/46/00/572344600.db2.gz RJROUGIPFQSKJB-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@H](CN)C[N@@H+](C)[C@@H](C)CC 83606824 572344601 /nfs/dbraw/zinc/34/46/01/572344601.db2.gz RJROUGIPFQSKJB-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CC(C)[C@H](CN)C[NH2+]C1CCCCC1 83607278 572346239 /nfs/dbraw/zinc/34/62/39/572346239.db2.gz VTHLWSGBGRYNCE-LLVKDONJSA-N 1 3 198.354 2.140 10 0 AEAEHO CCC[NH+](CCC)C[C@H](CC)CN 83606404 572344651 /nfs/dbraw/zinc/34/46/51/572344651.db2.gz GNKBLQHPNIDBTR-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CC[C@@H](CN)C[NH2+]C1CCCCCC1 83607247 572344685 /nfs/dbraw/zinc/34/46/85/572344685.db2.gz DOICTXOVKNECDE-NSHDSACASA-N 1 3 198.354 2.284 10 0 AEAEHO CCCC[N@H+](C[C@@H](CC)CN)C1CC1 83607849 572344924 /nfs/dbraw/zinc/34/49/24/572344924.db2.gz NGJTYJREESBEDP-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@@H+](C[C@@H](CC)CN)C1CC1 83607849 572344928 /nfs/dbraw/zinc/34/49/28/572344928.db2.gz NGJTYJREESBEDP-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCN(C[C@@H](CC)C[NH3+])C1CC1 83607849 572344932 /nfs/dbraw/zinc/34/49/32/572344932.db2.gz NGJTYJREESBEDP-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](CN)C[N@H+](C)C1CCCC1 83606751 572344978 /nfs/dbraw/zinc/34/49/78/572344978.db2.gz UNAKTMUAJVQBTE-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](CN)C[N@@H+](C)C1CCCC1 83606751 572344981 /nfs/dbraw/zinc/34/49/81/572344981.db2.gz UNAKTMUAJVQBTE-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](CN)C[NH+]1CCCCCCC1 83606669 572345152 /nfs/dbraw/zinc/34/51/52/572345152.db2.gz SBMJAPUXBQWTDX-GFCCVEGCSA-N 1 3 198.354 2.237 10 0 AEAEHO CC[C@H](CN)C[N@H+](C)C1CCCCC1 83606464 572345194 /nfs/dbraw/zinc/34/51/94/572345194.db2.gz JWOLDKHDTYDVFB-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](CN)C[N@@H+](C)C1CCCCC1 83606464 572345195 /nfs/dbraw/zinc/34/51/95/572345195.db2.gz JWOLDKHDTYDVFB-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](CN)C[N@H+](CC(C)C)C1CC1 83608242 572345255 /nfs/dbraw/zinc/34/52/55/572345255.db2.gz CUTKIGAUHLBIJR-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](CN)C[N@@H+](CC(C)C)C1CC1 83608242 572345257 /nfs/dbraw/zinc/34/52/57/572345257.db2.gz CUTKIGAUHLBIJR-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](CN)C[N@H+](CC1CC1)C(C)C 83608285 572345273 /nfs/dbraw/zinc/34/52/73/572345273.db2.gz JKOQUFCBAMNXMV-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](CN)C[N@@H+](CC1CC1)C(C)C 83608285 572345275 /nfs/dbraw/zinc/34/52/75/572345275.db2.gz JKOQUFCBAMNXMV-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@H](CN)C[N@H+]1CCCC[C@@H]1C 83606307 572345391 /nfs/dbraw/zinc/34/53/91/572345391.db2.gz BNTPMNZGVNIERG-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@@H](CN)C[N@H+](C)[C@@H](C)C1CC1 83607029 572345325 /nfs/dbraw/zinc/34/53/25/572345325.db2.gz UNUQPPJTSZEGPR-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@@H](CN)C[N@@H+](C)[C@@H](C)C1CC1 83607029 572345331 /nfs/dbraw/zinc/34/53/31/572345331.db2.gz UNUQPPJTSZEGPR-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](CN)C[N@H+](CCC)C1CC1 83606790 572345366 /nfs/dbraw/zinc/34/53/66/572345366.db2.gz CBHQSNNMTQTXGW-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](CN)C[N@@H+](CCC)C1CC1 83606790 572345368 /nfs/dbraw/zinc/34/53/68/572345368.db2.gz CBHQSNNMTQTXGW-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](C[NH3+])CN(CCC)C1CC1 83606790 572345370 /nfs/dbraw/zinc/34/53/70/572345370.db2.gz CBHQSNNMTQTXGW-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[NH+](CCC)C[C@@H](CC)CN 83606402 572345416 /nfs/dbraw/zinc/34/54/16/572345416.db2.gz GNKBLQHPNIDBTR-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CCC[N@H+](C[C@H](CC)CN)C(C)C 83606783 572345441 /nfs/dbraw/zinc/34/54/41/572345441.db2.gz JREZODRYCMOFSW-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[N@@H+](C[C@H](CC)CN)C(C)C 83606783 572345443 /nfs/dbraw/zinc/34/54/43/572345443.db2.gz JREZODRYCMOFSW-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[N@@H+](CC1CC1)C[C@@H](CC)CN 83607820 572345453 /nfs/dbraw/zinc/34/54/53/572345453.db2.gz OUGMALCGOUYGSB-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[N@H+](CC1CC1)C[C@@H](CC)CN 83607820 572345458 /nfs/dbraw/zinc/34/54/58/572345458.db2.gz OUGMALCGOUYGSB-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)[C@@H](CN)C[N@H+](C)C1CCCC1 83606760 572345508 /nfs/dbraw/zinc/34/55/08/572345508.db2.gz LAJWKIBJBRXHQG-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@@H](CN)C[N@@H+](C)C1CCCC1 83606760 572345510 /nfs/dbraw/zinc/34/55/10/572345510.db2.gz LAJWKIBJBRXHQG-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@H](CN)C[NH+]1CCCCCC1 83606372 572345531 /nfs/dbraw/zinc/34/55/31/572345531.db2.gz QVTRBXKCHISXLT-GFCCVEGCSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@@H](CN)C[N@H+](CCC)C1CC1 83606788 572345591 /nfs/dbraw/zinc/34/55/91/572345591.db2.gz CBHQSNNMTQTXGW-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](CN)C[N@@H+](CCC)C1CC1 83606788 572345594 /nfs/dbraw/zinc/34/55/94/572345594.db2.gz CBHQSNNMTQTXGW-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C[NH3+])CN(CCC)C1CC1 83606788 572345596 /nfs/dbraw/zinc/34/55/96/572345596.db2.gz CBHQSNNMTQTXGW-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCC[N@H+](C)C[C@H](CC)CN 83606860 572345685 /nfs/dbraw/zinc/34/56/85/572345685.db2.gz SQRQFUWYARESTQ-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CCCCC[N@@H+](C)C[C@H](CC)CN 83606860 572345691 /nfs/dbraw/zinc/34/56/91/572345691.db2.gz SQRQFUWYARESTQ-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CCCCCN(C)C[C@H](CC)C[NH3+] 83606860 572345696 /nfs/dbraw/zinc/34/56/96/572345696.db2.gz SQRQFUWYARESTQ-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CNC[C@H](C)C[N@H+](C)C1CCCCC1 52419255 572345769 /nfs/dbraw/zinc/34/57/69/572345769.db2.gz UMVRCWZUFMDBHC-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CNC[C@H](C)C[N@@H+](C)C1CCCCC1 52419255 572345772 /nfs/dbraw/zinc/34/57/72/572345772.db2.gz UMVRCWZUFMDBHC-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](CN)C[N@H+](CC)CCC 83606766 572345999 /nfs/dbraw/zinc/34/59/99/572345999.db2.gz SVXRPLBDEMODNB-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CCC[C@H](CN)C[N@@H+](CC)CCC 83606766 572346001 /nfs/dbraw/zinc/34/60/01/572346001.db2.gz SVXRPLBDEMODNB-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CC[C@@H](CN)C[N@H+](CC)C1CCCC1 83606949 572346097 /nfs/dbraw/zinc/34/60/97/572346097.db2.gz GHVXDKMJEWCKTC-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](CN)C[N@@H+](CC)C1CCCC1 83606949 572346100 /nfs/dbraw/zinc/34/61/00/572346100.db2.gz GHVXDKMJEWCKTC-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](CN)C[N@H+](C)[C@@H](C)CC 83606821 572346121 /nfs/dbraw/zinc/34/61/21/572346121.db2.gz RJROUGIPFQSKJB-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@@H](CN)C[N@@H+](C)[C@@H](C)CC 83606821 572346125 /nfs/dbraw/zinc/34/61/25/572346125.db2.gz RJROUGIPFQSKJB-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H](CN)C[N@@H+]1[C@@H](C)CCC[C@H]1C 83606595 572346155 /nfs/dbraw/zinc/34/61/55/572346155.db2.gz ACXCCXLNMJTRTL-TUAOUCFPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](CN)C[N@H+]1[C@@H](C)CCC[C@H]1C 83606595 572346156 /nfs/dbraw/zinc/34/61/56/572346156.db2.gz ACXCCXLNMJTRTL-TUAOUCFPSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@@H+](CC1CC1)C[C@H](CC)CN 83607823 572346199 /nfs/dbraw/zinc/34/61/99/572346199.db2.gz OUGMALCGOUYGSB-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[N@H+](CC1CC1)C[C@H](CC)CN 83607823 572346200 /nfs/dbraw/zinc/34/62/00/572346200.db2.gz OUGMALCGOUYGSB-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CCCCC[N@H+](C)C[C@@H](CC)CN 83606858 572346207 /nfs/dbraw/zinc/34/62/07/572346207.db2.gz SQRQFUWYARESTQ-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CCCCC[N@@H+](C)C[C@@H](CC)CN 83606858 572346209 /nfs/dbraw/zinc/34/62/09/572346209.db2.gz SQRQFUWYARESTQ-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CCCCCN(C)C[C@@H](CC)C[NH3+] 83606858 572346211 /nfs/dbraw/zinc/34/62/11/572346211.db2.gz SQRQFUWYARESTQ-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CC(C)[C@H](CN)C[N@@H+]1CCCC[C@H]1C 83606305 572346276 /nfs/dbraw/zinc/34/62/76/572346276.db2.gz BNTPMNZGVNIERG-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@H](CN)C[N@H+]1CCCC[C@H]1C 83606305 572346277 /nfs/dbraw/zinc/34/62/77/572346277.db2.gz BNTPMNZGVNIERG-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](CN)C[NH+]1CCCCCC1 83606364 572346398 /nfs/dbraw/zinc/34/63/98/572346398.db2.gz ROKMGZTZMJZBTL-GFCCVEGCSA-N 1 3 198.354 2.237 10 0 AEAEHO CCC[C@@H](CN)C[NH+]1CCCCCC1 83606362 572346458 /nfs/dbraw/zinc/34/64/58/572346458.db2.gz ROKMGZTZMJZBTL-LBPRGKRZSA-N 1 3 198.354 2.237 10 0 AEAEHO CCC[N@H+](C[C@H](CN)C(C)C)C1CC1 83606797 572346485 /nfs/dbraw/zinc/34/64/85/572346485.db2.gz NLNJHOAREDRPAO-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[N@@H+](C[C@H](CN)C(C)C)C1CC1 83606797 572346489 /nfs/dbraw/zinc/34/64/89/572346489.db2.gz NLNJHOAREDRPAO-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CCCN(C[C@H](C[NH3+])C(C)C)C1CC1 83606797 572346494 /nfs/dbraw/zinc/34/64/94/572346494.db2.gz NLNJHOAREDRPAO-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](CN)C[N@H+](CC)C(C)C 83606730 572346507 /nfs/dbraw/zinc/34/65/07/572346507.db2.gz DGNNZIYOVRCVFT-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@H](CN)C[N@@H+](CC)C(C)C 83606730 572346512 /nfs/dbraw/zinc/34/65/12/572346512.db2.gz DGNNZIYOVRCVFT-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[N@H+](C)C[C@H](CN)CCC 83606427 572346574 /nfs/dbraw/zinc/34/65/74/572346574.db2.gz QMBLMPYGTAIZII-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CCCC[N@@H+](C)C[C@H](CN)CCC 83606427 572346577 /nfs/dbraw/zinc/34/65/77/572346577.db2.gz QMBLMPYGTAIZII-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CCCCN(C)C[C@H](C[NH3+])CCC 83606427 572346579 /nfs/dbraw/zinc/34/65/79/572346579.db2.gz QMBLMPYGTAIZII-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CCC[C@H](CN)C[N@H+](C)C1CCCC1 83606753 572346582 /nfs/dbraw/zinc/34/65/82/572346582.db2.gz UNAKTMUAJVQBTE-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](CN)C[N@@H+](C)C1CCCC1 83606753 572346585 /nfs/dbraw/zinc/34/65/85/572346585.db2.gz UNAKTMUAJVQBTE-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](CN)C[N@@H+]1CCC[C@@H]1CC 83607219 572346722 /nfs/dbraw/zinc/34/67/22/572346722.db2.gz UOXQECFFZUQGIC-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](CN)C[N@H+]1CCC[C@@H]1CC 83607219 572346723 /nfs/dbraw/zinc/34/67/23/572346723.db2.gz UOXQECFFZUQGIC-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)[N@H+](C)C[C@@H](CC)CN 83607064 572346878 /nfs/dbraw/zinc/34/68/78/572346878.db2.gz OOVCJHMVHUDIBC-MNOVXSKESA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@@H](C)[N@@H+](C)C[C@@H](CC)CN 83607064 572346879 /nfs/dbraw/zinc/34/68/79/572346879.db2.gz OOVCJHMVHUDIBC-MNOVXSKESA-N 1 3 186.343 2.092 10 0 AEAEHO CCC1CC[NH+](C[C@H](CC)CN)CC1 83607625 572346924 /nfs/dbraw/zinc/34/69/24/572346924.db2.gz RWTHEPHURMWZSJ-GFCCVEGCSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](CN)C[NH2+]C1(C)CCCCC1 83608577 572346947 /nfs/dbraw/zinc/34/69/47/572346947.db2.gz XRKUSCGMCIYDFV-LLVKDONJSA-N 1 3 198.354 2.284 10 0 AEAEHO CC(C)[C@@H](CN)C[NH+]1CCCCCC1 83606370 572346980 /nfs/dbraw/zinc/34/69/80/572346980.db2.gz QVTRBXKCHISXLT-LBPRGKRZSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](CN)C[N@@H+]1CCC[C@@H](CC)C1 83607089 572347024 /nfs/dbraw/zinc/34/70/24/572347024.db2.gz HMGCVRAQDOECNM-NEPJUHHUSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](CN)C[N@H+]1CCC[C@@H](CC)C1 83607089 572347028 /nfs/dbraw/zinc/34/70/28/572347028.db2.gz HMGCVRAQDOECNM-NEPJUHHUSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[N@H+](C[C@@H](CC)CN)C(C)C 83606780 572347145 /nfs/dbraw/zinc/34/71/45/572347145.db2.gz JREZODRYCMOFSW-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[N@@H+](C[C@@H](CC)CN)C(C)C 83606780 572347148 /nfs/dbraw/zinc/34/71/48/572347148.db2.gz JREZODRYCMOFSW-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CCC(CC)[N@@H+](C)C[C@H](CC)CN 83607057 572347231 /nfs/dbraw/zinc/34/72/31/572347231.db2.gz SJFSYRWRRKVTAF-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC(CC)[N@H+](C)C[C@H](CC)CN 83607057 572347236 /nfs/dbraw/zinc/34/72/36/572347236.db2.gz SJFSYRWRRKVTAF-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@@H](CN)C[N@@H+]1CCC[C@@H]1CC 83607217 572347332 /nfs/dbraw/zinc/34/73/32/572347332.db2.gz UOXQECFFZUQGIC-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](CN)C[N@H+]1CCC[C@@H]1CC 83607217 572347336 /nfs/dbraw/zinc/34/73/36/572347336.db2.gz UOXQECFFZUQGIC-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](CN)C[N@@H+]1CCC[C@H](C)[C@@H]1C 83608798 572347583 /nfs/dbraw/zinc/34/75/83/572347583.db2.gz GLEGBKHLUAIPBH-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](CN)C[N@H+]1CCC[C@H](C)[C@@H]1C 83608798 572347588 /nfs/dbraw/zinc/34/75/88/572347588.db2.gz GLEGBKHLUAIPBH-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@@H](CN)C[NH2+]C1(C)CCCC1 83609704 572347763 /nfs/dbraw/zinc/34/77/63/572347763.db2.gz DTBOQPMCDQRSPI-NSHDSACASA-N 1 3 198.354 2.284 10 0 AEAEHO CCC[N@H+](CC)[C@H](C)CCNCC 52448653 572347875 /nfs/dbraw/zinc/34/78/75/572347875.db2.gz YITZNWXWWCJNOF-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[N@@H+](CC)[C@H](C)CCNCC 52448653 572347879 /nfs/dbraw/zinc/34/78/79/572347879.db2.gz YITZNWXWWCJNOF-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CC(C)[C@H](CN)C[N@@H+]1CCCC1(C)C 83609163 572348216 /nfs/dbraw/zinc/34/82/16/572348216.db2.gz ZSLVJIRBONXTBI-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@H](CN)C[N@H+]1CCCC1(C)C 83609163 572348221 /nfs/dbraw/zinc/34/82/21/572348221.db2.gz ZSLVJIRBONXTBI-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](CN)C[N@@H+]1CCC[C@H](C)CC1 83609283 572348661 /nfs/dbraw/zinc/34/86/61/572348661.db2.gz CMQDSYYMQPXUPJ-RYUDHWBXSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](CN)C[N@H+]1CCC[C@H](C)CC1 83609283 572348664 /nfs/dbraw/zinc/34/86/64/572348664.db2.gz CMQDSYYMQPXUPJ-RYUDHWBXSA-N 1 3 198.354 2.093 10 0 AEAEHO CCCC[C@@H](C)[NH2+]C[C@H](CC)CN 83608815 572348797 /nfs/dbraw/zinc/34/87/97/572348797.db2.gz JTFRFNSFQVYNNR-GHMZBOCLSA-N 1 3 186.343 2.140 10 0 AEAEHO CC[C@@H](CN)C[N@H+](C)CC1CCCC1 83609295 572348866 /nfs/dbraw/zinc/34/88/66/572348866.db2.gz OKMMWNKFNFGRGP-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](CN)C[N@@H+](C)CC1CCCC1 83609295 572348869 /nfs/dbraw/zinc/34/88/69/572348869.db2.gz OKMMWNKFNFGRGP-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](CN)C[NH+]1CCC(C)(C)CC1 83609024 572348935 /nfs/dbraw/zinc/34/89/35/572348935.db2.gz YSBQKCFXYLVRRO-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](CN)C[NH2+]CC1(C)CCCC1 83609360 572348959 /nfs/dbraw/zinc/34/89/59/572348959.db2.gz BPXZGBAHJKIFGY-NSHDSACASA-N 1 3 198.354 2.141 10 0 AEAEHO CC[C@H](CN)C[N@H+](C)C(C)(C)CC 83609437 572350911 /nfs/dbraw/zinc/35/09/11/572350911.db2.gz MHVVCJFZECKILV-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@@H](CN)C[N@@H+]1CCCC1(C)C 83609153 572349347 /nfs/dbraw/zinc/34/93/47/572349347.db2.gz VIZMFEOWWRNSHJ-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](CN)C[N@H+]1CCCC1(C)C 83609153 572349350 /nfs/dbraw/zinc/34/93/50/572349350.db2.gz VIZMFEOWWRNSHJ-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)[C@H](CN)C[NH2+]C1(C)CCCC1 83609714 572349536 /nfs/dbraw/zinc/34/95/36/572349536.db2.gz QGTBLFWBVVFNTC-LLVKDONJSA-N 1 3 198.354 2.140 10 0 AEAEHO CCCCC[N@H+](C)[C@@H](C)CCNC 52454726 572349550 /nfs/dbraw/zinc/34/95/50/572349550.db2.gz ROTKPRFRJPQNKM-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCCCC[N@@H+](C)[C@@H](C)CCNC 52454726 572349555 /nfs/dbraw/zinc/34/95/55/572349555.db2.gz ROTKPRFRJPQNKM-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCCCCN(C)[C@@H](C)CC[NH2+]C 52454726 572349557 /nfs/dbraw/zinc/34/95/57/572349557.db2.gz ROTKPRFRJPQNKM-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[C@@H](CN)C[N@H+](C)CC1CCC1 83608993 572349629 /nfs/dbraw/zinc/34/96/29/572349629.db2.gz WBJCTGWWTRMLIM-LBPRGKRZSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@@H](CN)C[N@@H+](C)CC1CCC1 83608993 572349632 /nfs/dbraw/zinc/34/96/32/572349632.db2.gz WBJCTGWWTRMLIM-LBPRGKRZSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](CN)C[N@@H+]1CCCCC[C@@H]1C 83609499 572349644 /nfs/dbraw/zinc/34/96/44/572349644.db2.gz BHNQMUYOSVQHIH-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](CN)C[N@H+]1CCCCC[C@@H]1C 83609499 572349647 /nfs/dbraw/zinc/34/96/47/572349647.db2.gz BHNQMUYOSVQHIH-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](CN)C[N@H+](CC)CC1CC1 83609422 572349760 /nfs/dbraw/zinc/34/97/60/572349760.db2.gz VQXOQFUXPAJSDT-GFCCVEGCSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@H](CN)C[N@@H+](CC)CC1CC1 83609422 572349764 /nfs/dbraw/zinc/34/97/64/572349764.db2.gz VQXOQFUXPAJSDT-GFCCVEGCSA-N 1 3 198.354 2.093 10 0 AEAEHO CCCC[C@H](C)[NH2+]C[C@@H](CC)CN 83608813 572349834 /nfs/dbraw/zinc/34/98/34/572349834.db2.gz JTFRFNSFQVYNNR-QWRGUYRKSA-N 1 3 186.343 2.140 10 0 AEAEHO CC(C)[C@@H](CN)C[NH2+]C1(C)CCCC1 83609711 572350004 /nfs/dbraw/zinc/35/00/04/572350004.db2.gz QGTBLFWBVVFNTC-NSHDSACASA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@H](CN)C[N@@H+]1CCCCC[C@@H]1C 83609501 572350025 /nfs/dbraw/zinc/35/00/25/572350025.db2.gz BHNQMUYOSVQHIH-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](CN)C[N@H+]1CCCCC[C@@H]1C 83609501 572350027 /nfs/dbraw/zinc/35/00/27/572350027.db2.gz BHNQMUYOSVQHIH-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](CN)C[N@@H+]1CCCC(C)(C)C1 83609472 572350064 /nfs/dbraw/zinc/35/00/64/572350064.db2.gz DXXOKHLJYVKOIF-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](CN)C[N@H+]1CCCC(C)(C)C1 83609472 572350066 /nfs/dbraw/zinc/35/00/66/572350066.db2.gz DXXOKHLJYVKOIF-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@H](CN)C[N@@H+]1CCCC1(C)C 83609154 572350114 /nfs/dbraw/zinc/35/01/14/572350114.db2.gz VIZMFEOWWRNSHJ-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](CN)C[N@H+]1CCCC1(C)C 83609154 572350116 /nfs/dbraw/zinc/35/01/16/572350116.db2.gz VIZMFEOWWRNSHJ-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)[C@@H](CN)C[N@@H+]1CCCC1(C)C 83609161 572350217 /nfs/dbraw/zinc/35/02/17/572350217.db2.gz ZSLVJIRBONXTBI-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@@H](CN)C[N@H+]1CCCC1(C)C 83609161 572350221 /nfs/dbraw/zinc/35/02/21/572350221.db2.gz ZSLVJIRBONXTBI-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](CN)C[N@H+](C)CC1CCC1 83608996 572350379 /nfs/dbraw/zinc/35/03/79/572350379.db2.gz WBJCTGWWTRMLIM-GFCCVEGCSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@H](CN)C[N@@H+](C)CC1CCC1 83608996 572350384 /nfs/dbraw/zinc/35/03/84/572350384.db2.gz WBJCTGWWTRMLIM-GFCCVEGCSA-N 1 3 198.354 2.093 10 0 AEAEHO CCCC[C@H](C)[NH2+]C[C@H](CC)CN 83608818 572350487 /nfs/dbraw/zinc/35/04/87/572350487.db2.gz JTFRFNSFQVYNNR-WDEREUQCSA-N 1 3 186.343 2.140 10 0 AEAEHO CC[C@H](CN)C[N@@H+]1CCC[C@H](C)CC1 83609285 572350655 /nfs/dbraw/zinc/35/06/55/572350655.db2.gz CMQDSYYMQPXUPJ-NWDGAFQWSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@@H](CN)C[N@H+](CC)CC1CC1 83609420 572350563 /nfs/dbraw/zinc/35/05/63/572350563.db2.gz VQXOQFUXPAJSDT-LBPRGKRZSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@@H](CN)C[N@@H+](CC)CC1CC1 83609420 572350567 /nfs/dbraw/zinc/35/05/67/572350567.db2.gz VQXOQFUXPAJSDT-LBPRGKRZSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](CN)C[N@@H+]1CCCC(C)(C)C1 83609470 572350596 /nfs/dbraw/zinc/35/05/96/572350596.db2.gz DXXOKHLJYVKOIF-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](CN)C[N@H+]1CCCC(C)(C)C1 83609470 572350602 /nfs/dbraw/zinc/35/06/02/572350602.db2.gz DXXOKHLJYVKOIF-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](CN)C[N@H+]1CCC[C@H](C)CC1 83609285 572350658 /nfs/dbraw/zinc/35/06/58/572350658.db2.gz CMQDSYYMQPXUPJ-NWDGAFQWSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](CN)C[N@H+](C)C(C)(C)CC 83609435 572350671 /nfs/dbraw/zinc/35/06/71/572350671.db2.gz MHVVCJFZECKILV-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H](CN)C[N@@H+](C)C(C)(C)CC 83609435 572350674 /nfs/dbraw/zinc/35/06/74/572350674.db2.gz MHVVCJFZECKILV-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@H](CN)C[NH2+]C1(C)CCCC1 83609706 572350681 /nfs/dbraw/zinc/35/06/81/572350681.db2.gz DTBOQPMCDQRSPI-LLVKDONJSA-N 1 3 198.354 2.284 10 0 AEAEHO CC[N@@H+](C1CCCC1)[C@@H](C)CCNC 52457705 572350811 /nfs/dbraw/zinc/35/08/11/572350811.db2.gz LKULBKSBAOVBJQ-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CC[N@H+](C1CCCC1)[C@@H](C)CCNC 52457705 572350818 /nfs/dbraw/zinc/35/08/18/572350818.db2.gz LKULBKSBAOVBJQ-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](CN)C[N@@H+]1CC[C@H](C)C[C@@H]1C 83608857 572350879 /nfs/dbraw/zinc/35/08/79/572350879.db2.gz FSBBPOKRCAOWQW-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](CN)C[N@H+]1CC[C@H](C)C[C@@H]1C 83608857 572350881 /nfs/dbraw/zinc/35/08/81/572350881.db2.gz FSBBPOKRCAOWQW-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](CN)C[N@@H+](C)C(C)(C)CC 83609437 572350915 /nfs/dbraw/zinc/35/09/15/572350915.db2.gz MHVVCJFZECKILV-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[C@@H](C)[NH2+]C[C@@H](CC)CN 83608812 572351101 /nfs/dbraw/zinc/35/11/01/572351101.db2.gz JTFRFNSFQVYNNR-MNOVXSKESA-N 1 3 186.343 2.140 10 0 AEAEHO CC[C@@H](CN)C[NH+]1CCC(C)(C)CC1 83609021 572351140 /nfs/dbraw/zinc/35/11/40/572351140.db2.gz YSBQKCFXYLVRRO-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](CN)C[N@H+](C)CC1CCCC1 83609297 572351311 /nfs/dbraw/zinc/35/13/11/572351311.db2.gz OKMMWNKFNFGRGP-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](CN)C[N@@H+](C)CC1CCCC1 83609297 572351315 /nfs/dbraw/zinc/35/13/15/572351315.db2.gz OKMMWNKFNFGRGP-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](CN)C[NH2+]CC1(C)CCCC1 83609364 572351404 /nfs/dbraw/zinc/35/14/04/572351404.db2.gz BPXZGBAHJKIFGY-LLVKDONJSA-N 1 3 198.354 2.141 10 0 AEAEHO CCC[N@H+](CC)[C@@H](C)CCNC1CC1 52448669 572352088 /nfs/dbraw/zinc/35/20/88/572352088.db2.gz GTMRTZZEQIWIDI-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+](CC)[C@@H](C)CCNC1CC1 52448669 572352092 /nfs/dbraw/zinc/35/20/92/572352092.db2.gz GTMRTZZEQIWIDI-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO C[NH2+]C1(CCNC(C)C)CCCCC1 83632757 572357176 /nfs/dbraw/zinc/35/71/76/572357176.db2.gz DFNHCCPPPWBIPU-UHFFFAOYSA-N 1 3 198.354 2.297 10 0 AEAEHO C[NH2+]C1(CCNC2CC2)CCCCC1 83632763 572357212 /nfs/dbraw/zinc/35/72/12/572357212.db2.gz SHBOKJVVKBCZFJ-UHFFFAOYSA-N 1 3 196.338 2.051 10 0 AEAEHO CCCNCCC1([NH2+]C)CCCCC1 83632753 572357957 /nfs/dbraw/zinc/35/79/57/572357957.db2.gz DMDFSKKSSQQQNE-UHFFFAOYSA-N 1 3 198.354 2.298 10 0 AEAEHO CCCCN1C[C@H](C)[C@@H]([NH2+]C)C[C@@H]1C 238222487 572370956 /nfs/dbraw/zinc/37/09/56/572370956.db2.gz YZEUCZLGTBYNMY-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCC[N@@H+]1C[C@H](C)[C@@H](NC)C[C@@H]1C 238222487 572370960 /nfs/dbraw/zinc/37/09/60/572370960.db2.gz YZEUCZLGTBYNMY-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCC[N@H+]1C[C@H](C)[C@@H](NC)C[C@@H]1C 238222487 572370965 /nfs/dbraw/zinc/37/09/65/572370965.db2.gz YZEUCZLGTBYNMY-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)[N@H+](CC)C[C@H](C)CN 87157012 572380044 /nfs/dbraw/zinc/38/00/44/572380044.db2.gz QWMHNAXZQIJCIR-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC(CC)[N@@H+](CC)C[C@H](C)CN 87157012 572380049 /nfs/dbraw/zinc/38/00/49/572380049.db2.gz QWMHNAXZQIJCIR-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC(CC)[N@H+](CC)C[C@@H](C)CN 87157010 572379890 /nfs/dbraw/zinc/37/98/90/572379890.db2.gz QWMHNAXZQIJCIR-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CCC(CC)[N@@H+](CC)C[C@@H](C)CN 87157010 572379893 /nfs/dbraw/zinc/37/98/93/572379893.db2.gz QWMHNAXZQIJCIR-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[N@H+](CCCN)C(CC)CC 87156884 572380547 /nfs/dbraw/zinc/38/05/47/572380547.db2.gz PNXFWMBLYBDHHV-UHFFFAOYSA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[N@@H+](CCCN)C(CC)CC 87156884 572380551 /nfs/dbraw/zinc/38/05/51/572380551.db2.gz PNXFWMBLYBDHHV-UHFFFAOYSA-N 1 3 186.343 2.236 10 0 AEAEHO CCC(CC)[N@H+](CCCN)C(C)C 87156886 572381625 /nfs/dbraw/zinc/38/16/25/572381625.db2.gz SPRSOYUWINPTGL-UHFFFAOYSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC(CC)[N@@H+](CCCN)C(C)C 87156886 572381629 /nfs/dbraw/zinc/38/16/29/572381629.db2.gz SPRSOYUWINPTGL-UHFFFAOYSA-N 1 3 186.343 2.234 10 0 AEAEHO C[C@@H](N)C[C@@H]1CCC[N@@H+]1CC(C)(C)C 713245542 572381652 /nfs/dbraw/zinc/38/16/52/572381652.db2.gz YSIRHWPGEPILSY-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](N)C[C@@H]1CCC[N@H+]1CC(C)(C)C 713245542 572381655 /nfs/dbraw/zinc/38/16/55/572381655.db2.gz YSIRHWPGEPILSY-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)C[C@@H]1CCC[N@@H+]1CC(C)(C)C 713245546 572381940 /nfs/dbraw/zinc/38/19/40/572381940.db2.gz YSIRHWPGEPILSY-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)C[C@@H]1CCC[N@H+]1CC(C)(C)C 713245546 572381948 /nfs/dbraw/zinc/38/19/48/572381948.db2.gz YSIRHWPGEPILSY-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)C[C@H]1CCC[N@@H+]1CC(C)(C)C 713245549 572382275 /nfs/dbraw/zinc/38/22/75/572382275.db2.gz YSIRHWPGEPILSY-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)C[C@H]1CCC[N@H+]1CC(C)(C)C 713245549 572382277 /nfs/dbraw/zinc/38/22/77/572382277.db2.gz YSIRHWPGEPILSY-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](N)C[C@H]1CCC[N@@H+]1CC(C)(C)C 713245537 572382404 /nfs/dbraw/zinc/38/24/04/572382404.db2.gz YSIRHWPGEPILSY-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](N)C[C@H]1CCC[N@H+]1CC(C)(C)C 713245537 572382407 /nfs/dbraw/zinc/38/24/07/572382407.db2.gz YSIRHWPGEPILSY-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[N@H+](C[C@@H](CN)CC(C)C)C1CC1 87187160 572390545 /nfs/dbraw/zinc/39/05/45/572390545.db2.gz HZDJLPGXZQKOAF-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](C[C@@H](CN)CC(C)C)C1CC1 87187160 572390549 /nfs/dbraw/zinc/39/05/49/572390549.db2.gz HZDJLPGXZQKOAF-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(C[C@@H](C[NH3+])CC(C)C)C1CC1 87187160 572390550 /nfs/dbraw/zinc/39/05/50/572390550.db2.gz HZDJLPGXZQKOAF-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@H](CN)C[NH2+]C1CCCC1 87187366 572390671 /nfs/dbraw/zinc/39/06/71/572390671.db2.gz GUVQTHIZSNGQRV-LLVKDONJSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)C[C@@H](CN)C[N@@H+]1CCC[C@@H]1C 87187301 572391738 /nfs/dbraw/zinc/39/17/38/572391738.db2.gz NXKBSVIJQKZCJO-RYUDHWBXSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@@H](CN)C[N@H+]1CCC[C@@H]1C 87187301 572391742 /nfs/dbraw/zinc/39/17/42/572391742.db2.gz NXKBSVIJQKZCJO-RYUDHWBXSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCCCN1CCC[C@@](C)(C[NH3+])C1 688705734 572392239 /nfs/dbraw/zinc/39/22/39/572392239.db2.gz WTFUJWBOZCKILV-LBPRGKRZSA-N 1 3 198.354 2.237 10 0 AEAEHO CC[N@H+](C[C@H](CN)CC(C)C)C1CC1 87187158 572392826 /nfs/dbraw/zinc/39/28/26/572392826.db2.gz HZDJLPGXZQKOAF-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](C[C@H](CN)CC(C)C)C1CC1 87187158 572392829 /nfs/dbraw/zinc/39/28/29/572392829.db2.gz HZDJLPGXZQKOAF-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(C[C@H](C[NH3+])CC(C)C)C1CC1 87187158 572392831 /nfs/dbraw/zinc/39/28/31/572392831.db2.gz HZDJLPGXZQKOAF-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@@H](CN)C[NH+]1CCCCC1 87187120 572392996 /nfs/dbraw/zinc/39/29/96/572392996.db2.gz YUANSHFCYCXCQD-LBPRGKRZSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)C[C@@H](C[NH3+])CN1CCCCC1 87187120 572392998 /nfs/dbraw/zinc/39/29/98/572392998.db2.gz YUANSHFCYCXCQD-LBPRGKRZSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)C[C@@H](CN)C[N@@H+]1CCC[C@H]1C 87187298 572393249 /nfs/dbraw/zinc/39/32/49/572393249.db2.gz NXKBSVIJQKZCJO-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@@H](CN)C[N@H+]1CCC[C@H]1C 87187298 572393253 /nfs/dbraw/zinc/39/32/53/572393253.db2.gz NXKBSVIJQKZCJO-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@H](CN)C[NH+]1CCCCC1 87187122 572393539 /nfs/dbraw/zinc/39/35/39/572393539.db2.gz YUANSHFCYCXCQD-GFCCVEGCSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)C[C@H](C[NH3+])CN1CCCCC1 87187122 572393544 /nfs/dbraw/zinc/39/35/44/572393544.db2.gz YUANSHFCYCXCQD-GFCCVEGCSA-N 1 3 198.354 2.093 10 0 AEAEHO CCCCCN1CCC[C@](C)(C[NH3+])C1 688705733 572393689 /nfs/dbraw/zinc/39/36/89/572393689.db2.gz WTFUJWBOZCKILV-GFCCVEGCSA-N 1 3 198.354 2.237 10 0 AEAEHO CC(C)C[C@@H](CN)C[NH2+]C1CCCC1 87187364 572393857 /nfs/dbraw/zinc/39/38/57/572393857.db2.gz GUVQTHIZSNGQRV-NSHDSACASA-N 1 3 198.354 2.140 10 0 AEAEHO CCC(CC)[C@@H](N)C(C)(C)[NH+](C)C 87170998 572396775 /nfs/dbraw/zinc/39/67/75/572396775.db2.gz PSNFPDFRFWDMJY-SNVBAGLBSA-N 1 3 186.343 2.090 10 0 AEAEHO CCC(CC)[C@H](N)C(C)(C)[NH+](C)C 87170997 572397334 /nfs/dbraw/zinc/39/73/34/572397334.db2.gz PSNFPDFRFWDMJY-JTQLQIEISA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@H](C)[NH2+]C[C@H]1CCCCC[C@@H]1N 87222530 572404033 /nfs/dbraw/zinc/40/40/33/572404033.db2.gz RJFLMRYLGFVXKY-TUAOUCFPSA-N 1 3 198.354 2.282 10 0 AEAEHO CN[C@H](C)C[C@H](C)[N@H+]1CCC(C)(C)C1 87252353 572408648 /nfs/dbraw/zinc/40/86/48/572408648.db2.gz SVIYETXWZXFKHM-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)C[NH2+]C[C@@H]1CCCCC[C@H]1N 87222544 572404542 /nfs/dbraw/zinc/40/45/42/572404542.db2.gz LKYBECIYXSBAFB-NWDGAFQWSA-N 1 3 198.354 2.140 10 0 AEAEHO CCC(C)(C)C[C@@H](N)C[NH+]1CCCC1 713246319 572405154 /nfs/dbraw/zinc/40/51/54/572405154.db2.gz FRFWBMKUYSGSDX-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)C[NH2+]C[C@@H]1CCCCC[C@@H]1N 87222540 572405173 /nfs/dbraw/zinc/40/51/73/572405173.db2.gz LKYBECIYXSBAFB-RYUDHWBXSA-N 1 3 198.354 2.140 10 0 AEAEHO CCC(C)(C)C[C@H](N)C[NH+]1CCCC1 713246321 572405359 /nfs/dbraw/zinc/40/53/59/572405359.db2.gz FRFWBMKUYSGSDX-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[NH2+]C[C@H]1CCCCC[C@H]1N 87222585 572405611 /nfs/dbraw/zinc/40/56/11/572405611.db2.gz LKMTYOSIEZAYCD-VXGBXAGGSA-N 1 3 198.354 2.284 10 0 AEAEHO CCC1(CC)CC[N@H+](CC[C@@H](C)N)C1 87252503 572408238 /nfs/dbraw/zinc/40/82/38/572408238.db2.gz PTKQTSLMBHDKFQ-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[NH2+]C[C@@H]1CCCCC[C@@H]1N 87222580 572405977 /nfs/dbraw/zinc/40/59/77/572405977.db2.gz LKMTYOSIEZAYCD-RYUDHWBXSA-N 1 3 198.354 2.284 10 0 AEAEHO CC[C@H](C)[NH2+]C[C@@H]1CCCCC[C@@H]1N 87222526 572406267 /nfs/dbraw/zinc/40/62/67/572406267.db2.gz RJFLMRYLGFVXKY-SRVKXCTJSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCC[NH2+]C[C@H]1CCCCC[C@@H]1N 87222582 572406313 /nfs/dbraw/zinc/40/63/13/572406313.db2.gz LKMTYOSIEZAYCD-NEPJUHHUSA-N 1 3 198.354 2.284 10 0 AEAEHO CC(C)C[NH2+]C[C@H]1CCCCC[C@@H]1N 87222542 572406430 /nfs/dbraw/zinc/40/64/30/572406430.db2.gz LKYBECIYXSBAFB-NEPJUHHUSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)C[NH2+]C[C@H]1CCCCC[C@H]1N 87222546 572406785 /nfs/dbraw/zinc/40/67/85/572406785.db2.gz LKYBECIYXSBAFB-VXGBXAGGSA-N 1 3 198.354 2.140 10 0 AEAEHO CCCC[NH2+]C[C@@H]1CCCCC[C@H]1N 87222583 572407338 /nfs/dbraw/zinc/40/73/38/572407338.db2.gz LKMTYOSIEZAYCD-NWDGAFQWSA-N 1 3 198.354 2.284 10 0 AEAEHO CCC[C@H](CN)C[N@@H+]1CCC(C)(C)C1 87255031 572407948 /nfs/dbraw/zinc/40/79/48/572407948.db2.gz OZQMVZZHCBZDLF-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@H](CN)C[N@H+]1CCC(C)(C)C1 87255031 572407952 /nfs/dbraw/zinc/40/79/52/572407952.db2.gz OZQMVZZHCBZDLF-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC1(CC)CC[N@@H+](CC[C@@H](C)N)C1 87252503 572408241 /nfs/dbraw/zinc/40/82/41/572408241.db2.gz PTKQTSLMBHDKFQ-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH2+][C@H](C)CCN1CCC(C)(C)C1 87252166 572408287 /nfs/dbraw/zinc/40/82/87/572408287.db2.gz YDMCNAWAZSOXTI-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@H](C)C[C@H](C)[N@@H+]1CCC(C)(C)C1 87252353 572408644 /nfs/dbraw/zinc/40/86/44/572408644.db2.gz SVIYETXWZXFKHM-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCC(CN)(C[NH3+])CCCC 238232565 572408722 /nfs/dbraw/zinc/40/87/22/572408722.db2.gz ZHSUUVQKRNVGKK-UHFFFAOYSA-N 1 3 186.343 2.271 10 0 AEAEHO CCC[C@](C)([NH3+])CN1CCC(C)(C)C1 87255123 572408750 /nfs/dbraw/zinc/40/87/50/572408750.db2.gz ODJPVXNIDUPQCP-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[NH2+]CCCN1CCC(C)(C)C1 87252063 572411886 /nfs/dbraw/zinc/41/18/86/572411886.db2.gz AUVWNQDVHJKGOV-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CC(C)[NH2+]CCCN1CCC(C)(C)C1 87252025 572408816 /nfs/dbraw/zinc/40/88/16/572408816.db2.gz CHUYTQCKVZMWKB-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@@H](C)C[C@@H](C)[N@@H+]1CCC(C)(C)C1 87252348 572409047 /nfs/dbraw/zinc/40/90/47/572409047.db2.gz SVIYETXWZXFKHM-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H](C)C[C@@H](C)[N@H+]1CCC(C)(C)C1 87252348 572409050 /nfs/dbraw/zinc/40/90/50/572409050.db2.gz SVIYETXWZXFKHM-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@@](C)([NH3+])CN1CCC(C)(C)C1 87255124 572409160 /nfs/dbraw/zinc/40/91/60/572409160.db2.gz ODJPVXNIDUPQCP-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CN[C@@H](C)C[C@H](C)[N@@H+]1CCC(C)(C)C1 87252352 572409222 /nfs/dbraw/zinc/40/92/22/572409222.db2.gz SVIYETXWZXFKHM-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H](C)C[C@H](C)[N@H+]1CCC(C)(C)C1 87252352 572409228 /nfs/dbraw/zinc/40/92/28/572409228.db2.gz SVIYETXWZXFKHM-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)CC[N@@H+]1CCCN[C@H](C)CC1 44390243 572409273 /nfs/dbraw/zinc/40/92/73/572409273.db2.gz VUZYYWBWWZNZMF-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)CC[N@H+]1CCCN[C@H](C)CC1 44390243 572409276 /nfs/dbraw/zinc/40/92/76/572409276.db2.gz VUZYYWBWWZNZMF-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)CC[N@@H+]1CCCN[C@@H](C)CC1 44390246 572409501 /nfs/dbraw/zinc/40/95/01/572409501.db2.gz VUZYYWBWWZNZMF-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)CC[N@H+]1CCCN[C@@H](C)CC1 44390246 572409506 /nfs/dbraw/zinc/40/95/06/572409506.db2.gz VUZYYWBWWZNZMF-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC1(CC)CC[N@H+](CC[C@H](C)N)C1 87252504 572410447 /nfs/dbraw/zinc/41/04/47/572410447.db2.gz PTKQTSLMBHDKFQ-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC1(CC)CC[N@@H+](CC[C@H](C)N)C1 87252504 572410450 /nfs/dbraw/zinc/41/04/50/572410450.db2.gz PTKQTSLMBHDKFQ-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH2+]CC[C@@H](C)N1CCC(C)(C)C1 87258962 572412583 /nfs/dbraw/zinc/41/25/83/572412583.db2.gz UYEZLOGRTYLEDX-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCC[C@@H](C)[N@@H+]1CCC(C)(C)C1 87258962 572412585 /nfs/dbraw/zinc/41/25/85/572412585.db2.gz UYEZLOGRTYLEDX-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCC[C@@H](C)[N@H+]1CCC(C)(C)C1 87258962 572412587 /nfs/dbraw/zinc/41/25/87/572412587.db2.gz UYEZLOGRTYLEDX-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@H](C)C[C@@H](C)[N@@H+]1CCC(C)(C)C1 87252350 572411266 /nfs/dbraw/zinc/41/12/66/572411266.db2.gz SVIYETXWZXFKHM-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@@H]([NH3+])c1ccc(CN)c(F)c1 238235008 572411272 /nfs/dbraw/zinc/41/12/72/572411272.db2.gz PWADZYVVYDNXNX-LLVKDONJSA-N 1 3 196.269 2.084 10 0 AEAEHO CN[C@H](C)C[C@@H](C)[N@H+]1CCC(C)(C)C1 87252350 572411274 /nfs/dbraw/zinc/41/12/74/572411274.db2.gz SVIYETXWZXFKHM-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@@H](CN)C[N@@H+]1CCC(C)(C)C1 87255030 572411704 /nfs/dbraw/zinc/41/17/04/572411704.db2.gz OZQMVZZHCBZDLF-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@@H](CN)C[N@H+]1CCC(C)(C)C1 87255030 572411708 /nfs/dbraw/zinc/41/17/08/572411708.db2.gz OZQMVZZHCBZDLF-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC[NH2+][C@@H](C)CCN1CCC(C)(C)C1 87252164 572411762 /nfs/dbraw/zinc/41/17/62/572411762.db2.gz YDMCNAWAZSOXTI-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+]CC[C@H](C)N1CCC(C)(C)C1 87258964 572412718 /nfs/dbraw/zinc/41/27/18/572412718.db2.gz UYEZLOGRTYLEDX-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCC[C@H](C)[N@@H+]1CCC(C)(C)C1 87258964 572412723 /nfs/dbraw/zinc/41/27/23/572412723.db2.gz UYEZLOGRTYLEDX-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCC[C@H](C)[N@H+]1CCC(C)(C)C1 87258964 572412727 /nfs/dbraw/zinc/41/27/27/572412727.db2.gz UYEZLOGRTYLEDX-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](N)C1 222732477 572430703 /nfs/dbraw/zinc/43/07/03/572430703.db2.gz GEWNJXPRJZRJHB-TUAOUCFPSA-N 1 3 198.354 2.425 10 0 AEAEHO CC(C)C[N@H+](CCCN)CC1CCC1 83838127 572433875 /nfs/dbraw/zinc/43/38/75/572433875.db2.gz KXQMEAPMXILJNY-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)C[N@@H+](CCCN)CC1CCC1 83838127 572433878 /nfs/dbraw/zinc/43/38/78/572433878.db2.gz KXQMEAPMXILJNY-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)(C)[NH2+]CCCNCCC1CC1 83895423 572435757 /nfs/dbraw/zinc/43/57/57/572435757.db2.gz XARZOICYBBOXES-UHFFFAOYSA-N 1 3 198.354 2.154 10 0 AEAEHO CC(C)(C)NCCC[NH2+]CCC1CC1 83895423 572435763 /nfs/dbraw/zinc/43/57/63/572435763.db2.gz XARZOICYBBOXES-UHFFFAOYSA-N 1 3 198.354 2.154 10 0 AEAEHO C[C@H]([C@H](N)CC1CCCCC1)[NH+](C)C 74236656 572436804 /nfs/dbraw/zinc/43/68/04/572436804.db2.gz QJHADASUPTTYCN-ZYHUDNBSSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H]1[C@H](CN)CC[N@@H+]1CC(C)(C)C 713248719 572437539 /nfs/dbraw/zinc/43/75/39/572437539.db2.gz AEFBEKHZAAZFDK-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H]1[C@H](CN)CC[N@H+]1CC(C)(C)C 713248719 572437543 /nfs/dbraw/zinc/43/75/43/572437543.db2.gz AEFBEKHZAAZFDK-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H]1[C@@H](CN)CCC[N@@H+]1CC(C)C 74236598 572437587 /nfs/dbraw/zinc/43/75/87/572437587.db2.gz SCPZTWRWJRQEJZ-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H]1[C@@H](CN)CCC[N@H+]1CC(C)C 74236598 572437593 /nfs/dbraw/zinc/43/75/93/572437593.db2.gz SCPZTWRWJRQEJZ-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH3+] 74236799 572437821 /nfs/dbraw/zinc/43/78/21/572437821.db2.gz PTMZIYDHCWZIIF-QJPTWQEYSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@H](N)[C@@H](C)[C@H](CC)[NH+]1CCCC1 74236683 572437860 /nfs/dbraw/zinc/43/78/60/572437860.db2.gz XUZLAQJGHYZFII-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)(C)CC[C@@H](C[NH3+])N1CCCC1 74236662 572438186 /nfs/dbraw/zinc/43/81/86/572438186.db2.gz ZFDQEVSRRFPFPM-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)CC[C@@H]1CN(C)[C@H](C)C[C@H]1[NH3+] 74236797 572438240 /nfs/dbraw/zinc/43/82/40/572438240.db2.gz PTMZIYDHCWZIIF-IJLUTSLNSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)(C)CC[C@H](C[NH3+])N1CCCC1 74236665 572438468 /nfs/dbraw/zinc/43/84/68/572438468.db2.gz ZFDQEVSRRFPFPM-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)CC[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH3+] 74236794 572438819 /nfs/dbraw/zinc/43/88/19/572438819.db2.gz PTMZIYDHCWZIIF-TUAOUCFPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@@H]([C@H](C)[C@H](N)CC)[NH+]1CCCC1 74236681 572438907 /nfs/dbraw/zinc/43/89/07/572438907.db2.gz XUZLAQJGHYZFII-UTUOFQBUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[NH+](CC)[C@H](CCN)C1CCCC1 74236618 572439342 /nfs/dbraw/zinc/43/93/42/572439342.db2.gz SBVPSBXSAHACNR-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H]1[C@H](CN)CC[N@@H+]1CC(C)(C)C 713248732 572439604 /nfs/dbraw/zinc/43/96/04/572439604.db2.gz AEFBEKHZAAZFDK-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H]1[C@H](CN)CC[N@H+]1CC(C)(C)C 713248732 572439610 /nfs/dbraw/zinc/43/96/10/572439610.db2.gz AEFBEKHZAAZFDK-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]([C@@H](N)CC1CCCCC1)[NH+](C)C 74236658 572439634 /nfs/dbraw/zinc/43/96/34/572439634.db2.gz QJHADASUPTTYCN-JQWIXIFHSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[C@@H](CCN)[NH+]1CCCCCC1 74236621 572440020 /nfs/dbraw/zinc/44/00/20/572440020.db2.gz SGJMSDSKJMYTGN-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)[C@H](CCN)[NH+]1CCCCCC1 74236624 572440065 /nfs/dbraw/zinc/44/00/65/572440065.db2.gz SGJMSDSKJMYTGN-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH+](CC)[C@@H](CCN)C1CCCC1 74236616 572440351 /nfs/dbraw/zinc/44/03/51/572440351.db2.gz SBVPSBXSAHACNR-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H]([C@H](N)CC1CCCCC1)[NH+](C)C 74236653 572440484 /nfs/dbraw/zinc/44/04/84/572440484.db2.gz QJHADASUPTTYCN-CMPLNLGQSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H]1[C@@H](CN)CC[N@H+]1CC(C)(C)C 713248705 572441538 /nfs/dbraw/zinc/44/15/38/572441538.db2.gz AEFBEKHZAAZFDK-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H]1[C@@H](CN)CC[N@@H+]1CC(C)(C)C 713248705 572441533 /nfs/dbraw/zinc/44/15/33/572441533.db2.gz AEFBEKHZAAZFDK-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO NC1(CC[NH2+]CCC2CC2)CCCC1 83895305 572442478 /nfs/dbraw/zinc/44/24/78/572442478.db2.gz IAOUFHYDGZOKGS-UHFFFAOYSA-N 1 3 196.338 2.038 10 0 AEAEHO CC(C)(N)C(C)(C)C[NH2+]CCC1CC1 83895314 572444130 /nfs/dbraw/zinc/44/41/30/572444130.db2.gz YNJFZJYAHOGMFC-UHFFFAOYSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@H](C)C[C@H](C)[N@@H+]1CC[C@H](CN)C1 83865133 572447561 /nfs/dbraw/zinc/44/75/61/572447561.db2.gz VAHCPBUPHXPPMS-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)C[C@H](C)[N@H+]1CC[C@H](CN)C1 83865133 572447566 /nfs/dbraw/zinc/44/75/66/572447566.db2.gz VAHCPBUPHXPPMS-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)C[C@@H](C)N[C@@H]1CCC[NH2+]C1 83863544 572447728 /nfs/dbraw/zinc/44/77/28/572447728.db2.gz CJCKFIRQHJJXOS-QJPTWQEYSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@@H](C)C[C@H](C)[NH+]1CCC(N)CC1 83865108 572448312 /nfs/dbraw/zinc/44/83/12/572448312.db2.gz UJLNVGDKNOJZAE-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](C)C[C@H](C)N1CCC([NH3+])CC1 83865108 572448317 /nfs/dbraw/zinc/44/83/17/572448317.db2.gz UJLNVGDKNOJZAE-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)C[C@@H](C)[N@@H+]1CC[C@H](CN)C1 83865131 572448378 /nfs/dbraw/zinc/44/83/78/572448378.db2.gz VAHCPBUPHXPPMS-QJPTWQEYSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)C[C@@H](C)[N@H+]1CC[C@H](CN)C1 83865131 572448381 /nfs/dbraw/zinc/44/83/81/572448381.db2.gz VAHCPBUPHXPPMS-QJPTWQEYSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)C[C@@H](C)[N@@H+]1CC[C@H](NC)C1 83865111 572448502 /nfs/dbraw/zinc/44/85/02/572448502.db2.gz JYXZQNGGEMUWTB-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)C[C@@H](C)[N@H+]1CC[C@H](NC)C1 83865111 572448506 /nfs/dbraw/zinc/44/85/06/572448506.db2.gz JYXZQNGGEMUWTB-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCCC[NH2+]CCC=N 238241569 572448555 /nfs/dbraw/zinc/44/85/55/572448555.db2.gz GAYFRWSHCWGRBT-UHFFFAOYSA-N 1 3 156.273 2.196 10 0 AEAEHO CC[C@@H](C)C[C@@H](C)[NH+]1CCC(N)CC1 83865106 572449073 /nfs/dbraw/zinc/44/90/73/572449073.db2.gz UJLNVGDKNOJZAE-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](C)C[C@@H](C)N1CCC([NH3+])CC1 83865106 572449078 /nfs/dbraw/zinc/44/90/78/572449078.db2.gz UJLNVGDKNOJZAE-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)C[C@H](C)[NH+]1CCC(N)CC1 83865109 572449143 /nfs/dbraw/zinc/44/91/43/572449143.db2.gz UJLNVGDKNOJZAE-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)C[C@H](C)N1CCC([NH3+])CC1 83865109 572449150 /nfs/dbraw/zinc/44/91/50/572449150.db2.gz UJLNVGDKNOJZAE-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)C[C@H](C)[N@@H+]1CC[C@H](NC)C1 83865113 572449227 /nfs/dbraw/zinc/44/92/27/572449227.db2.gz JYXZQNGGEMUWTB-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)C[C@H](C)[N@H+]1CC[C@H](NC)C1 83865113 572449230 /nfs/dbraw/zinc/44/92/30/572449230.db2.gz JYXZQNGGEMUWTB-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)C[C@@H](C)[NH+]1CCC(N)CC1 83865107 572449251 /nfs/dbraw/zinc/44/92/51/572449251.db2.gz UJLNVGDKNOJZAE-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)C[C@@H](C)N1CCC([NH3+])CC1 83865107 572449255 /nfs/dbraw/zinc/44/92/55/572449255.db2.gz UJLNVGDKNOJZAE-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)C[C@H](C)N[C@@H]1CCC[NH2+]C1 83863546 572449828 /nfs/dbraw/zinc/44/98/28/572449828.db2.gz CJCKFIRQHJJXOS-SDDRHHMPSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H]([NH3+])c1ccc(CN)c(F)c1 238246636 572451442 /nfs/dbraw/zinc/45/14/42/572451442.db2.gz PWADZYVVYDNXNX-NSHDSACASA-N 1 3 196.269 2.084 10 0 AEAEHO CC(C)C[N@H+](CCCN)CCC1CC1 83926207 572455910 /nfs/dbraw/zinc/45/59/10/572455910.db2.gz NNEAPXVWGQWTHT-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)C[N@@H+](CCCN)CCC1CC1 83926207 572455913 /nfs/dbraw/zinc/45/59/13/572455913.db2.gz NNEAPXVWGQWTHT-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO CCNCC[C@H](C)[N@H+](CC)CC1CC1 68948652 572457462 /nfs/dbraw/zinc/45/74/62/572457462.db2.gz MBBDBVUIMDZHSA-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCC[C@H](C)[N@@H+](CC)CC1CC1 68948652 572457466 /nfs/dbraw/zinc/45/74/66/572457466.db2.gz 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CC[C@H]1CC[C@H]([N@@H+](C)CCCNC)C1 87472188 572505857 /nfs/dbraw/zinc/50/58/57/572505857.db2.gz MCMNAKLZAYLKJQ-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H]1CC[C@H](N(C)CCC[NH2+]C)C1 87472188 572505860 /nfs/dbraw/zinc/50/58/60/572505860.db2.gz MCMNAKLZAYLKJQ-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H]1CC[C@H]([N@H+](C)CCCNC)C1 87472187 572505993 /nfs/dbraw/zinc/50/59/93/572505993.db2.gz MCMNAKLZAYLKJQ-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H]1CC[C@H]([N@@H+](C)CCCNC)C1 87472187 572505995 /nfs/dbraw/zinc/50/59/95/572505995.db2.gz MCMNAKLZAYLKJQ-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H]1CC[C@H](N(C)CCC[NH2+]C)C1 87472187 572505998 /nfs/dbraw/zinc/50/59/98/572505998.db2.gz MCMNAKLZAYLKJQ-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CNCCC[N@H+](C)[C@@H](C)C1CCCC1 87472398 572506212 /nfs/dbraw/zinc/50/62/12/572506212.db2.gz UUWYCEPKBQVGFU-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CNCCC[N@@H+](C)[C@@H](C)C1CCCC1 87472398 572506215 /nfs/dbraw/zinc/50/62/15/572506215.db2.gz UUWYCEPKBQVGFU-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO [NH3+]C[C@H](CC1CCCCC1)NC1CC1 87473540 572507029 /nfs/dbraw/zinc/50/70/29/572507029.db2.gz QHNQXVPGFUQQHV-LBPRGKRZSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@@H](CCN)[N@H+](C)CC(C)(C)C 45068641 572507810 /nfs/dbraw/zinc/50/78/10/572507810.db2.gz CNXNACWOVJCPRN-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H](CCN)[N@@H+](C)CC(C)(C)C 45068641 572507816 /nfs/dbraw/zinc/50/78/16/572507816.db2.gz CNXNACWOVJCPRN-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CNCCC[N@H+](C)[C@H]1CCCC1(C)C 87472290 572507833 /nfs/dbraw/zinc/50/78/33/572507833.db2.gz LWHQWQLZUKMPCM-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CNCCC[N@@H+](C)[C@H]1CCCC1(C)C 87472290 572507834 /nfs/dbraw/zinc/50/78/34/572507834.db2.gz LWHQWQLZUKMPCM-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CNCCC[N@H+](C)[C@@H]1CCCC1(C)C 87472291 572508184 /nfs/dbraw/zinc/50/81/84/572508184.db2.gz LWHQWQLZUKMPCM-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CNCCC[N@@H+](C)[C@@H]1CCCC1(C)C 87472291 572508187 /nfs/dbraw/zinc/50/81/87/572508187.db2.gz LWHQWQLZUKMPCM-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H]1CC[C@@H]([N@H+](C)CCCNC)C1 87472189 572508422 /nfs/dbraw/zinc/50/84/22/572508422.db2.gz MCMNAKLZAYLKJQ-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H]1CC[C@@H]([N@@H+](C)CCCNC)C1 87472189 572508424 /nfs/dbraw/zinc/50/84/24/572508424.db2.gz MCMNAKLZAYLKJQ-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H]1CC[C@@H](N(C)CCC[NH2+]C)C1 87472189 572508426 /nfs/dbraw/zinc/50/84/26/572508426.db2.gz MCMNAKLZAYLKJQ-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](C[C@@H](C)N(CC)CC)[NH2+]C 238280119 572509902 /nfs/dbraw/zinc/50/99/02/572509902.db2.gz UXIHWBPMZTZJCL-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CC(C)=CCN(C)[C@@H]1CCC[C@@H]1C[NH3+] 84213956 572510671 /nfs/dbraw/zinc/51/06/71/572510671.db2.gz DQYQNNKJMJWYHO-VXGBXAGGSA-N 1 3 196.338 2.012 10 0 AEAEHO C/C=C/C[N@@H+](CC)[C@@H]1CCC[C@@H]1CN 84214464 572510853 /nfs/dbraw/zinc/51/08/53/572510853.db2.gz CMMMXEOYIRXPLQ-WEPHUFDCSA-N 1 3 196.338 2.012 10 0 AEAEHO C/C=C/C[N@H+](CC)[C@@H]1CCC[C@@H]1CN 84214464 572510855 /nfs/dbraw/zinc/51/08/55/572510855.db2.gz CMMMXEOYIRXPLQ-WEPHUFDCSA-N 1 3 196.338 2.012 10 0 AEAEHO C/C=C/CN(CC)[C@@H]1CCC[C@@H]1C[NH3+] 84214464 572510858 /nfs/dbraw/zinc/51/08/58/572510858.db2.gz CMMMXEOYIRXPLQ-WEPHUFDCSA-N 1 3 196.338 2.012 10 0 AEAEHO CCC(CC)[NH2+][C@H]1CCCC[C@@H]1CN 84215423 572510928 /nfs/dbraw/zinc/51/09/28/572510928.db2.gz JJZLJKNHVOSMKH-PWSUYJOCSA-N 1 3 198.354 2.282 10 0 AEAEHO CCC(CC)[NH2+][C@H]1CCCC[C@H]1CN 84215426 572511732 /nfs/dbraw/zinc/51/17/32/572511732.db2.gz JJZLJKNHVOSMKH-JQWIXIFHSA-N 1 3 198.354 2.282 10 0 AEAEHO C/C=C/C[N@@H+](CC)[C@H]1CCC[C@@H]1CN 84214465 572512456 /nfs/dbraw/zinc/51/24/56/572512456.db2.gz CMMMXEOYIRXPLQ-CHULQOHASA-N 1 3 196.338 2.012 10 0 AEAEHO C/C=C/C[N@H+](CC)[C@H]1CCC[C@@H]1CN 84214465 572512457 /nfs/dbraw/zinc/51/24/57/572512457.db2.gz CMMMXEOYIRXPLQ-CHULQOHASA-N 1 3 196.338 2.012 10 0 AEAEHO C/C=C/CN(CC)[C@H]1CCC[C@@H]1C[NH3+] 84214465 572512460 /nfs/dbraw/zinc/51/24/60/572512460.db2.gz CMMMXEOYIRXPLQ-CHULQOHASA-N 1 3 196.338 2.012 10 0 AEAEHO C/C=C/CN(C)[C@@H]1CCCC[C@@H]1C[NH3+] 84214796 572512894 /nfs/dbraw/zinc/51/28/94/572512894.db2.gz NOWKNUMLMWOEAK-BLDJZWNYSA-N 1 3 196.338 2.012 10 0 AEAEHO C/C=C/C[N@H+](C)[C@@H]1CCCC[C@@H]1CN 84214796 572512897 /nfs/dbraw/zinc/51/28/97/572512897.db2.gz NOWKNUMLMWOEAK-BLDJZWNYSA-N 1 3 196.338 2.012 10 0 AEAEHO C/C=C/C[N@@H+](C)[C@@H]1CCCC[C@@H]1CN 84214796 572512900 /nfs/dbraw/zinc/51/29/00/572512900.db2.gz NOWKNUMLMWOEAK-BLDJZWNYSA-N 1 3 196.338 2.012 10 0 AEAEHO CCC(CC)[NH2+][C@@H]1CCCC[C@@H]1CN 84215422 572512954 /nfs/dbraw/zinc/51/29/54/572512954.db2.gz JJZLJKNHVOSMKH-ZYHUDNBSSA-N 1 3 198.354 2.282 10 0 AEAEHO CCC(CC)[NH2+][C@@H]1CCCC[C@H]1CN 84215424 572513812 /nfs/dbraw/zinc/51/38/12/572513812.db2.gz JJZLJKNHVOSMKH-CMPLNLGQSA-N 1 3 198.354 2.282 10 0 AEAEHO CC(C)=CCN(C)[C@H]1CCC[C@@H]1C[NH3+] 84213957 572514127 /nfs/dbraw/zinc/51/41/27/572514127.db2.gz DQYQNNKJMJWYHO-NEPJUHHUSA-N 1 3 196.338 2.012 10 0 AEAEHO CC1(C)C[C@H]1NCC1([NH3+])CCCCC1 45137870 572514920 /nfs/dbraw/zinc/51/49/20/572514920.db2.gz LJXGJYVBSNGXCD-SNVBAGLBSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@H]([NH2+][C@H]1CCC[C@@H]1CN)C(C)C 84220695 572514982 /nfs/dbraw/zinc/51/49/82/572514982.db2.gz QRLSKRINDPKTNV-WOPDTQHZSA-N 1 3 198.354 2.138 10 0 AEAEHO CC1(C)C[C@@H]1NCC1([NH3+])CCCCC1 45137867 572515658 /nfs/dbraw/zinc/51/56/58/572515658.db2.gz LJXGJYVBSNGXCD-JTQLQIEISA-N 1 3 196.338 2.036 10 0 AEAEHO CCCCN1CCC[C@@H](C[NH2+]CC)C1 53653983 572515998 /nfs/dbraw/zinc/51/59/98/572515998.db2.gz XGFZQZYMTYTGDV-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)C(C)C 84220688 572516211 /nfs/dbraw/zinc/51/62/11/572516211.db2.gz QRLSKRINDPKTNV-GRYCIOLGSA-N 1 3 198.354 2.138 10 0 AEAEHO CCCCN1CCC[C@H](C[NH2+]CC)C1 53653980 572516381 /nfs/dbraw/zinc/51/63/81/572516381.db2.gz XGFZQZYMTYTGDV-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CC[C@@H](C[C@H](C)N(CC)CC)[NH2+]C 238280998 572516479 /nfs/dbraw/zinc/51/64/79/572516479.db2.gz UXIHWBPMZTZJCL-QWRGUYRKSA-N 1 3 186.343 2.105 10 0 AEAEHO CC[C@H](C)[NH2+][C@@H](C)CC(C)(C)NC 238281194 572516736 /nfs/dbraw/zinc/51/67/36/572516736.db2.gz QHBOZSJNSYOXJS-UWVGGRQHSA-N 1 3 186.343 2.151 10 0 AEAEHO CN1CCC[C@@H]([NH3+])[C@H](CC(C)(C)C)C1 250692108 572517677 /nfs/dbraw/zinc/51/76/77/572517677.db2.gz KIJPCPDWBCAXIN-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CN1CCC[C@@H]([NH3+])[C@@H](CC(C)(C)C)C1 250692112 572518131 /nfs/dbraw/zinc/51/81/31/572518131.db2.gz KIJPCPDWBCAXIN-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)CN(C)[C@@H](C)CC(N)=[NH2+] 63092208 572529572 /nfs/dbraw/zinc/52/95/72/572529572.db2.gz GEUUFZDGGWIVKT-UWVGGRQHSA-N 1 3 199.342 2.069 10 0 AEAEHO C[C@@H](CC(N)=[NH2+])N(C)CCC(C)(C)C 63092182 572530805 /nfs/dbraw/zinc/53/08/05/572530805.db2.gz PZSHBOCZFBLXKH-VIFPVBQESA-N 1 3 199.342 2.069 10 0 AEAEHO C[N@@H+]1CC[C@@H](CC(C)(C)C)[C@@H]1CCN 250723672 572531475 /nfs/dbraw/zinc/53/14/75/572531475.db2.gz WMRIYGADSLPKEA-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO C[N@H+]1CC[C@@H](CC(C)(C)C)[C@@H]1CCN 250723672 572531477 /nfs/dbraw/zinc/53/14/77/572531477.db2.gz WMRIYGADSLPKEA-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO C[N@@H+]1CC[C@H](CC(C)(C)C)[C@@H]1CCN 250723665 572531937 /nfs/dbraw/zinc/53/19/37/572531937.db2.gz WMRIYGADSLPKEA-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO C[N@H+]1CC[C@H](CC(C)(C)C)[C@@H]1CCN 250723665 572531940 /nfs/dbraw/zinc/53/19/40/572531940.db2.gz WMRIYGADSLPKEA-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CC1(C)CCCC[N@@H+]1[C@@H]1CC[C@@H](N)C1 250777702 572535921 /nfs/dbraw/zinc/53/59/21/572535921.db2.gz AVZSGGYIKGZBEB-GHMZBOCLSA-N 1 3 196.338 2.131 10 0 AEAEHO CC1(C)CCCC[N@H+]1[C@@H]1CC[C@@H](N)C1 250777702 572535925 /nfs/dbraw/zinc/53/59/25/572535925.db2.gz AVZSGGYIKGZBEB-GHMZBOCLSA-N 1 3 196.338 2.131 10 0 AEAEHO CC1(C)CCCC[N@@H+]1[C@H]1CC[C@@H](N)C1 250777705 572536609 /nfs/dbraw/zinc/53/66/09/572536609.db2.gz AVZSGGYIKGZBEB-MNOVXSKESA-N 1 3 196.338 2.131 10 0 AEAEHO CC1(C)CCCC[N@H+]1[C@H]1CC[C@@H](N)C1 250777705 572536611 /nfs/dbraw/zinc/53/66/11/572536611.db2.gz AVZSGGYIKGZBEB-MNOVXSKESA-N 1 3 196.338 2.131 10 0 AEAEHO CC[C@@H](C)[NH2+][C@@H](C)CC(C)(C)NC 238296244 572536751 /nfs/dbraw/zinc/53/67/51/572536751.db2.gz QHBOZSJNSYOXJS-ZJUUUORDSA-N 1 3 186.343 2.151 10 0 AEAEHO CCN(C)C[C@]1(C[NH3+])CCC[C@H](C)C1 84346350 572537919 /nfs/dbraw/zinc/53/79/19/572537919.db2.gz ODQHDCWOROUOOL-NWDGAFQWSA-N 1 3 198.354 2.093 10 0 AEAEHO CCN(C)C[C@@]1(C[NH3+])CCC[C@H](C)C1 84346354 572539090 /nfs/dbraw/zinc/53/90/90/572539090.db2.gz ODQHDCWOROUOOL-RYUDHWBXSA-N 1 3 198.354 2.093 10 0 AEAEHO CCN(C)CC1(C[NH3+])CCC(C)CC1 84339839 572539556 /nfs/dbraw/zinc/53/95/56/572539556.db2.gz KJMXONDTDQAGKW-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](C)[NH2+][C@H](C)CC(C)(C)NC 238297659 572541387 /nfs/dbraw/zinc/54/13/87/572541387.db2.gz QHBOZSJNSYOXJS-NXEZZACHSA-N 1 3 186.343 2.151 10 0 AEAEHO C[C@H](N)CC[N@@H+]1CCC[C@H]1C(C)(C)C 251156638 572546420 /nfs/dbraw/zinc/54/64/20/572546420.db2.gz BMTSIUZDRQBIQU-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)CC[N@H+]1CCC[C@H]1C(C)(C)C 251156638 572546424 /nfs/dbraw/zinc/54/64/24/572546424.db2.gz BMTSIUZDRQBIQU-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](N)CC[N@@H+]1CCC[C@H]1C(C)(C)C 251156637 572548313 /nfs/dbraw/zinc/54/83/13/572548313.db2.gz BMTSIUZDRQBIQU-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](N)CC[N@H+]1CCC[C@H]1C(C)(C)C 251156637 572548316 /nfs/dbraw/zinc/54/83/16/572548316.db2.gz BMTSIUZDRQBIQU-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H]1CC[C@H](CCNC(C)C)[NH2+]C1 238309563 572548840 /nfs/dbraw/zinc/54/88/40/572548840.db2.gz BHEUSVZZOIAOPA-NWDGAFQWSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@H]1CC[C@H](CC[NH2+]C(C)C)NC1 238309563 572548845 /nfs/dbraw/zinc/54/88/45/572548845.db2.gz BHEUSVZZOIAOPA-NWDGAFQWSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)[C@@H]1CCCC[N@H+]1CC[C@H](C)N 251265674 572556761 /nfs/dbraw/zinc/55/67/61/572556761.db2.gz APHGFQLVLXCDBJ-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[C@@H]1CCCC[N@@H+]1CC[C@H](C)N 251265674 572556764 /nfs/dbraw/zinc/55/67/64/572556764.db2.gz APHGFQLVLXCDBJ-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CN[C@H](C[N@@H+]1CCCC1(C)C)C(C)C 87530184 572562504 /nfs/dbraw/zinc/56/25/04/572562504.db2.gz XAYPQRACXOGOPY-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H](C[N@H+]1CCCC1(C)C)C(C)C 87530184 572562507 /nfs/dbraw/zinc/56/25/07/572562507.db2.gz XAYPQRACXOGOPY-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[N@H+](C)C[C@H]1CCCCC[C@@H]1N 53862405 572562818 /nfs/dbraw/zinc/56/28/18/572562818.db2.gz KQDHOGAAFURUEX-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@@H+](C)C[C@H]1CCCCC[C@@H]1N 53862405 572562827 /nfs/dbraw/zinc/56/28/27/572562827.db2.gz KQDHOGAAFURUEX-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)N(C)C[C@H]1CCCCC[C@@H]1[NH3+] 53862405 572562833 /nfs/dbraw/zinc/56/28/33/572562833.db2.gz KQDHOGAAFURUEX-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[C@@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1N 53867002 572563591 /nfs/dbraw/zinc/56/35/91/572563591.db2.gz QTZDWEXUNSVOSI-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1N 53867002 572563596 /nfs/dbraw/zinc/56/35/96/572563596.db2.gz QTZDWEXUNSVOSI-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[N@H+](C)C[C@@H]1CCCCC[C@@H]1N 53862403 572563827 /nfs/dbraw/zinc/56/38/27/572563827.db2.gz KQDHOGAAFURUEX-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@@H+](C)C[C@@H]1CCCCC[C@@H]1N 53862403 572563834 /nfs/dbraw/zinc/56/38/34/572563834.db2.gz KQDHOGAAFURUEX-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)N(C)C[C@@H]1CCCCC[C@@H]1[NH3+] 53862403 572563837 /nfs/dbraw/zinc/56/38/37/572563837.db2.gz KQDHOGAAFURUEX-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H]1CCC[N@@H+]1C[C@H](NC)C(C)C 87529126 572565658 /nfs/dbraw/zinc/56/56/58/572565658.db2.gz ZBBKPWGMEXNGAS-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H]1CCC[N@@H+]1C[C@H](NC)C(C)C 87529128 572564768 /nfs/dbraw/zinc/56/47/68/572564768.db2.gz ZBBKPWGMEXNGAS-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H]1CCC[N@H+]1C[C@H](NC)C(C)C 87529128 572564772 /nfs/dbraw/zinc/56/47/72/572564772.db2.gz ZBBKPWGMEXNGAS-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)[N@@H+]1CCCC[C@@H]1CCN 69720673 572565292 /nfs/dbraw/zinc/56/52/92/572565292.db2.gz RSYJBHBYSSBQCG-GFCCVEGCSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC(CC)[N@H+]1CCCC[C@@H]1CCN 69720673 572565296 /nfs/dbraw/zinc/56/52/96/572565296.db2.gz RSYJBHBYSSBQCG-GFCCVEGCSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H]1CCC[N@H+]1C[C@H](NC)C(C)C 87529126 572565664 /nfs/dbraw/zinc/56/56/64/572565664.db2.gz ZBBKPWGMEXNGAS-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1N 53867901 572566028 /nfs/dbraw/zinc/56/60/28/572566028.db2.gz MNQLEFBRXNGZAN-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1N 53867901 572566031 /nfs/dbraw/zinc/56/60/31/572566031.db2.gz MNQLEFBRXNGZAN-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[C@H]1CCCC[N@H+]1C[C@H](C)CN 251363645 572566122 /nfs/dbraw/zinc/56/61/22/572566122.db2.gz VWZVCXPWDPMVIH-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@H]1CCCC[N@@H+]1C[C@H](C)CN 251363645 572566127 /nfs/dbraw/zinc/56/61/27/572566127.db2.gz VWZVCXPWDPMVIH-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CN[C@@H](C[N@@H+]1CCCC1(C)C)C(C)C 87530187 572566427 /nfs/dbraw/zinc/56/64/27/572566427.db2.gz XAYPQRACXOGOPY-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H](C[N@H+]1CCCC1(C)C)C(C)C 87530187 572566429 /nfs/dbraw/zinc/56/64/29/572566429.db2.gz XAYPQRACXOGOPY-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[N@@H+]1CCCC[C@@H]1CCNC 69730762 572567315 /nfs/dbraw/zinc/56/73/15/572567315.db2.gz DMZXBNXJJVRONL-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)[N@H+]1CCCC[C@@H]1CCNC 69730762 572567318 /nfs/dbraw/zinc/56/73/18/572567318.db2.gz DMZXBNXJJVRONL-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)[C@@H]1CCCC[N@H+]1C[C@H](C)CN 251363641 572567596 /nfs/dbraw/zinc/56/75/96/572567596.db2.gz VWZVCXPWDPMVIH-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@@H]1CCCC[N@@H+]1C[C@H](C)CN 251363641 572567598 /nfs/dbraw/zinc/56/75/98/572567598.db2.gz VWZVCXPWDPMVIH-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCC[N@@H+]1CCCC[C@H]1CCNC 69730725 572568102 /nfs/dbraw/zinc/56/81/02/572568102.db2.gz AHEFPXMJVSRETR-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCC[N@H+]1CCCC[C@H]1CCNC 69730725 572568103 /nfs/dbraw/zinc/56/81/03/572568103.db2.gz AHEFPXMJVSRETR-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CC(C)CC[N@H+](C)C[C@@H]1CCC[C@@H]1N 53879096 572569175 /nfs/dbraw/zinc/56/91/75/572569175.db2.gz JZJPAQFDVMBWGQ-RYUDHWBXSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[N@@H+](C)C[C@@H]1CCC[C@@H]1N 53879096 572569190 /nfs/dbraw/zinc/56/91/90/572569190.db2.gz JZJPAQFDVMBWGQ-RYUDHWBXSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CCN(C)C[C@@H]1CCC[C@@H]1[NH3+] 53879096 572569192 /nfs/dbraw/zinc/56/91/92/572569192.db2.gz JZJPAQFDVMBWGQ-RYUDHWBXSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H](N)C(C)(C)C[N@H+](C)[C@H](C)C1CC1 251531232 572569232 /nfs/dbraw/zinc/56/92/32/572569232.db2.gz KFDOQNFXUPMVLC-ZJUUUORDSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](N)C(C)(C)C[N@@H+](C)[C@H](C)C1CC1 251531232 572569236 /nfs/dbraw/zinc/56/92/36/572569236.db2.gz KFDOQNFXUPMVLC-ZJUUUORDSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@H]1CC[N@@H+]([C@@H](C)CCN)C1 307828789 572571065 /nfs/dbraw/zinc/57/10/65/572571065.db2.gz RTGTWQQFSKNLHB-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@H]1CC[N@H+]([C@@H](C)CCN)C1 307828789 572571070 /nfs/dbraw/zinc/57/10/70/572571070.db2.gz RTGTWQQFSKNLHB-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](CCN)[N@H+](C)C[C@H]1CC=CCC1 402627095 572571283 /nfs/dbraw/zinc/57/12/83/572571283.db2.gz BJXZKBBQAAUISA-RYUDHWBXSA-N 1 3 196.338 2.012 10 0 AEAEHO C[C@@H](CCN)[N@@H+](C)C[C@H]1CC=CCC1 402627095 572571288 /nfs/dbraw/zinc/57/12/88/572571288.db2.gz BJXZKBBQAAUISA-RYUDHWBXSA-N 1 3 196.338 2.012 10 0 AEAEHO CC(C)C[C@@H]1CC[N@@H+]([C@H](C)CCN)C1 307828788 572571306 /nfs/dbraw/zinc/57/13/06/572571306.db2.gz RTGTWQQFSKNLHB-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@@H]1CC[N@H+]([C@H](C)CCN)C1 307828788 572571309 /nfs/dbraw/zinc/57/13/09/572571309.db2.gz RTGTWQQFSKNLHB-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@@H]1CC[N@@H+]([C@@H](C)CCN)C1 307828790 572572788 /nfs/dbraw/zinc/57/27/88/572572788.db2.gz RTGTWQQFSKNLHB-RYUDHWBXSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@@H]1CC[N@H+]([C@@H](C)CCN)C1 307828790 572572792 /nfs/dbraw/zinc/57/27/92/572572792.db2.gz RTGTWQQFSKNLHB-RYUDHWBXSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@H]1CC[N@@H+]([C@H](C)CCN)C1 307828791 572573196 /nfs/dbraw/zinc/57/31/96/572573196.db2.gz RTGTWQQFSKNLHB-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@H]1CC[N@H+]([C@H](C)CCN)C1 307828791 572573198 /nfs/dbraw/zinc/57/31/98/572573198.db2.gz RTGTWQQFSKNLHB-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)(C[NH3+])CN1CCCC(C)(C)C1 69793896 572579750 /nfs/dbraw/zinc/57/97/50/572579750.db2.gz YAXAIGPARXDWKG-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)C[C@@H]1CCN([C@@H](C)[C@H](C)[NH3+])C1 307835656 572590978 /nfs/dbraw/zinc/59/09/78/572590978.db2.gz NECNDAMSUBQUFI-SRVKXCTJSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@@H]1CCN([C@@H](C)[C@@H](C)[NH3+])C1 307835659 572591525 /nfs/dbraw/zinc/59/15/25/572591525.db2.gz NECNDAMSUBQUFI-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@@H]1CCN([C@H](C)[C@@H](C)[NH3+])C1 307835658 572591647 /nfs/dbraw/zinc/59/16/47/572591647.db2.gz NECNDAMSUBQUFI-UTUOFQBUSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@@H]1CCN([C@H](C)[C@H](C)[NH3+])C1 307835657 572593529 /nfs/dbraw/zinc/59/35/29/572593529.db2.gz NECNDAMSUBQUFI-TUAOUCFPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)(C)C[C@@H]1CC[N@H+](CCCN)C1 307839758 572596879 /nfs/dbraw/zinc/59/68/79/572596879.db2.gz RHXUDOBWAYSOPM-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)(C)C[C@@H]1CC[N@@H+](CCCN)C1 307839758 572596883 /nfs/dbraw/zinc/59/68/83/572596883.db2.gz RHXUDOBWAYSOPM-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)(C)C[C@H]1CC[N@H+](CCCN)C1 307839756 572597189 /nfs/dbraw/zinc/59/71/89/572597189.db2.gz RHXUDOBWAYSOPM-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)(C)C[C@H]1CC[N@@H+](CCCN)C1 307839756 572597193 /nfs/dbraw/zinc/59/71/93/572597193.db2.gz RHXUDOBWAYSOPM-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)[N@H+](C)CC[C@H](N)C(C)(C)C 54027099 572612094 /nfs/dbraw/zinc/61/20/94/572612094.db2.gz WXRXRUXKYQTLDK-JTQLQIEISA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)[N@@H+](C)CC[C@H](N)C(C)(C)C 54027099 572612097 /nfs/dbraw/zinc/61/20/97/572612097.db2.gz WXRXRUXKYQTLDK-JTQLQIEISA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)N(C)CC[C@H]([NH3+])C(C)(C)C 54027099 572612102 /nfs/dbraw/zinc/61/21/02/572612102.db2.gz WXRXRUXKYQTLDK-JTQLQIEISA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@@H](CCN)[N@@H+]1CCCCC[C@@H]1C 69944399 572613629 /nfs/dbraw/zinc/61/36/29/572613629.db2.gz WUSLOOWVPNKBDR-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H](CCN)[N@H+]1CCCCC[C@@H]1C 69944399 572613634 /nfs/dbraw/zinc/61/36/34/572613634.db2.gz WUSLOOWVPNKBDR-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO C[N@H+](CC[C@H](N)C(C)(C)C)CC1CC1 54028244 572613731 /nfs/dbraw/zinc/61/37/31/572613731.db2.gz IYBOGUFLGBCAES-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO C[N@@H+](CC[C@H](N)C(C)(C)C)CC1CC1 54028244 572613735 /nfs/dbraw/zinc/61/37/35/572613735.db2.gz IYBOGUFLGBCAES-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[N@H+](C)CC[C@@H](N)C(C)(C)C 54027101 572615040 /nfs/dbraw/zinc/61/50/40/572615040.db2.gz WXRXRUXKYQTLDK-SNVBAGLBSA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)[N@@H+](C)CC[C@@H](N)C(C)(C)C 54027101 572615042 /nfs/dbraw/zinc/61/50/42/572615042.db2.gz WXRXRUXKYQTLDK-SNVBAGLBSA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)N(C)CC[C@@H]([NH3+])C(C)(C)C 54027101 572615045 /nfs/dbraw/zinc/61/50/45/572615045.db2.gz WXRXRUXKYQTLDK-SNVBAGLBSA-N 1 3 186.343 2.090 10 0 AEAEHO CCCC[C@@H](CC)C[NH2+]C1CC(N)C1 87651196 572634365 /nfs/dbraw/zinc/63/43/65/572634365.db2.gz VPIYFVSVBYWOOP-VOMCLLRMSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCC[C@H](CC)C[NH2+]C1CC(N)C1 87651197 572635848 /nfs/dbraw/zinc/63/58/48/572635848.db2.gz VPIYFVSVBYWOOP-UNXYVOJBSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCCC[C@H](C)[NH2+]C1CC(N)C1 87651362 572635859 /nfs/dbraw/zinc/63/58/59/572635859.db2.gz LKZLFHMLIHMFMB-WHXUTIOJSA-N 1 3 184.327 2.035 10 0 AEAEHO CCCCC[C@H](C)NC1CC([NH3+])C1 87651362 572635864 /nfs/dbraw/zinc/63/58/64/572635864.db2.gz LKZLFHMLIHMFMB-WHXUTIOJSA-N 1 3 184.327 2.035 10 0 AEAEHO CC(C)CCC[C@@H](C)[NH2+]C1CC(N)C1 87651229 572635972 /nfs/dbraw/zinc/63/59/72/572635972.db2.gz WKVSAOCJEUZJMJ-VOMCLLRMSA-N 1 3 198.354 2.281 10 0 AEAEHO CC(C)CCC[C@@H](C)NC1CC([NH3+])C1 87651229 572635977 /nfs/dbraw/zinc/63/59/77/572635977.db2.gz WKVSAOCJEUZJMJ-VOMCLLRMSA-N 1 3 198.354 2.281 10 0 AEAEHO CC(C)CCC[C@H](C)[NH2+]C1CC(N)C1 87651230 572636438 /nfs/dbraw/zinc/63/64/38/572636438.db2.gz WKVSAOCJEUZJMJ-UNXYVOJBSA-N 1 3 198.354 2.281 10 0 AEAEHO CC(C)CCC[C@H](C)NC1CC([NH3+])C1 87651230 572636441 /nfs/dbraw/zinc/63/64/41/572636441.db2.gz WKVSAOCJEUZJMJ-UNXYVOJBSA-N 1 3 198.354 2.281 10 0 AEAEHO CC(C)(C)CC(C)(C)[NH2+]C1CC(N)C1 87651526 572638080 /nfs/dbraw/zinc/63/80/80/572638080.db2.gz ZPIFFOMCTMNEDA-UHFFFAOYSA-N 1 3 198.354 2.281 10 0 AEAEHO CCCCCC[C@@H](C)[NH2+]C1CC(N)C1 87651563 572639297 /nfs/dbraw/zinc/63/92/97/572639297.db2.gz QGIGPJXQNHPKMW-VOMCLLRMSA-N 1 3 198.354 2.425 10 0 AEAEHO CCCCCC[C@@H](C)NC1CC([NH3+])C1 87651563 572639302 /nfs/dbraw/zinc/63/93/02/572639302.db2.gz QGIGPJXQNHPKMW-VOMCLLRMSA-N 1 3 198.354 2.425 10 0 AEAEHO CCCCCC[NH2+]C[C@@H]1CCCNC1 87646174 572639254 /nfs/dbraw/zinc/63/92/54/572639254.db2.gz GWAPYGRMZJFKKI-LBPRGKRZSA-N 1 3 198.354 2.156 10 0 AEAEHO CCCCCC[C@H](C)[NH2+]C1CC(N)C1 87651564 572641444 /nfs/dbraw/zinc/64/14/44/572641444.db2.gz QGIGPJXQNHPKMW-UNXYVOJBSA-N 1 3 198.354 2.425 10 0 AEAEHO CCCCCC[C@H](C)NC1CC([NH3+])C1 87651564 572641445 /nfs/dbraw/zinc/64/14/45/572641445.db2.gz QGIGPJXQNHPKMW-UNXYVOJBSA-N 1 3 198.354 2.425 10 0 AEAEHO CCCCCC[NH2+]C[C@H]1CCCNC1 87646176 572641763 /nfs/dbraw/zinc/64/17/63/572641763.db2.gz GWAPYGRMZJFKKI-GFCCVEGCSA-N 1 3 198.354 2.156 10 0 AEAEHO CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCCNC1 87646845 572643818 /nfs/dbraw/zinc/64/38/18/572643818.db2.gz GTXVCOMNTYQORP-GRYCIOLGSA-N 1 3 198.354 2.010 10 0 AEAEHO CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCNC1 87646842 572644651 /nfs/dbraw/zinc/64/46/51/572644651.db2.gz GTXVCOMNTYQORP-IJLUTSLNSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)C[N@@H+]1CCCC[C@H]1C[C@H](C)N 250548184 572648592 /nfs/dbraw/zinc/64/85/92/572648592.db2.gz GQYDEUZDXJXYBK-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)C[N@H+]1CCCC[C@H]1C[C@H](C)N 250548184 572648596 /nfs/dbraw/zinc/64/85/96/572648596.db2.gz GQYDEUZDXJXYBK-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)C[N@@H+]1CCCC[C@@H]1C[C@H](C)N 250548179 572649498 /nfs/dbraw/zinc/64/94/98/572649498.db2.gz GQYDEUZDXJXYBK-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)C[N@H+]1CCCC[C@@H]1C[C@H](C)N 250548179 572649499 /nfs/dbraw/zinc/64/94/99/572649499.db2.gz GQYDEUZDXJXYBK-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CN[C@@H](C)C(C)(C)C[N@@H+]1CCC[C@H]1C 252174282 572666794 /nfs/dbraw/zinc/66/67/94/572666794.db2.gz OQHHBBRHCTWPJE-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H](C)C(C)(C)C[N@H+]1CCC[C@H]1C 252174282 572666799 /nfs/dbraw/zinc/66/67/99/572666799.db2.gz OQHHBBRHCTWPJE-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@@H]1CCC[C@@H]([NH2+]C2CC(N)C2)CC1 235299919 572675530 /nfs/dbraw/zinc/67/55/30/572675530.db2.gz SDXJOZBUAUIJPJ-QTAHKJALSA-N 1 3 196.338 2.035 10 0 AEAEHO CCC(C)(C)NC[C@@H]1CCC[C@H](C)[NH2+]1 66147518 572687268 /nfs/dbraw/zinc/68/72/68/572687268.db2.gz SDQACIRZPIGNKX-QWRGUYRKSA-N 1 3 198.354 2.295 10 0 AEAEHO C[C@H]1CCC[C@H](CNC2CCCC2)[NH2+]1 66147116 572687344 /nfs/dbraw/zinc/68/73/44/572687344.db2.gz FELHXLGWFKUQCP-CMPLNLGQSA-N 1 3 196.338 2.049 10 0 AEAEHO C[C@H](CC[NH3+])N[C@H](C)c1ccccc1 66147845 572687556 /nfs/dbraw/zinc/68/75/56/572687556.db2.gz PXMVNVVZWGEZJE-GHMZBOCLSA-N 1 3 192.306 2.075 10 0 AEAEHO C[C@@H]1CCC[C@H](CNC2CCCC2)[NH2+]1 66147114 572687802 /nfs/dbraw/zinc/68/78/02/572687802.db2.gz FELHXLGWFKUQCP-ZYHUDNBSSA-N 1 3 196.338 2.049 10 0 AEAEHO C[C@H](N[C@H](C)CC[NH3+])c1ccccc1 66147840 572688914 /nfs/dbraw/zinc/68/89/14/572688914.db2.gz PXMVNVVZWGEZJE-MNOVXSKESA-N 1 3 192.306 2.075 10 0 AEAEHO CCC(C)(C)NC[C@H]1CCC[C@@H](C)[NH2+]1 66147525 572689751 /nfs/dbraw/zinc/68/97/51/572689751.db2.gz SDQACIRZPIGNKX-GHMZBOCLSA-N 1 3 198.354 2.295 10 0 AEAEHO C[C@@H](CC[NH3+])N[C@H](C)c1ccccc1 66147842 572689946 /nfs/dbraw/zinc/68/99/46/572689946.db2.gz PXMVNVVZWGEZJE-WDEREUQCSA-N 1 3 192.306 2.075 10 0 AEAEHO CCC(C)(C)NC[C@H]1CCC[C@H](C)[NH2+]1 66147519 572690268 /nfs/dbraw/zinc/69/02/68/572690268.db2.gz SDQACIRZPIGNKX-WDEREUQCSA-N 1 3 198.354 2.295 10 0 AEAEHO CCC(C)(C)NC[C@@H]1CCC[C@@H](C)[NH2+]1 66147521 572690318 /nfs/dbraw/zinc/69/03/18/572690318.db2.gz SDQACIRZPIGNKX-MNOVXSKESA-N 1 3 198.354 2.295 10 0 AEAEHO C[C@H]1CCC[C@@H](CNC2CCCC2)[NH2+]1 66147119 572690932 /nfs/dbraw/zinc/69/09/32/572690932.db2.gz FELHXLGWFKUQCP-JQWIXIFHSA-N 1 3 196.338 2.049 10 0 AEAEHO C[C@@H]1CCC[C@@H](CNC2CCCC2)[NH2+]1 66147117 572690952 /nfs/dbraw/zinc/69/09/52/572690952.db2.gz FELHXLGWFKUQCP-PWSUYJOCSA-N 1 3 196.338 2.049 10 0 AEAEHO C[C@@H]1CCC[C@@H](CC[NH2+]C(C)(C)C)N1 238407963 572690983 /nfs/dbraw/zinc/69/09/83/572690983.db2.gz KCMWRLWWGGKJGR-MNOVXSKESA-N 1 3 198.354 2.295 10 0 AEAEHO C[C@@H]1CCC[C@@H](CCNC(C)(C)C)[NH2+]1 238407963 572690985 /nfs/dbraw/zinc/69/09/85/572690985.db2.gz KCMWRLWWGGKJGR-MNOVXSKESA-N 1 3 198.354 2.295 10 0 AEAEHO C[C@@H](CC[NH3+])N[C@@H](C)c1ccccc1 66147837 572691083 /nfs/dbraw/zinc/69/10/83/572691083.db2.gz PXMVNVVZWGEZJE-QWRGUYRKSA-N 1 3 192.306 2.075 10 0 AEAEHO CC[C@H](C)C[N@@H+]1CCCN[C@H](C)CC1 54490883 572693592 /nfs/dbraw/zinc/69/35/92/572693592.db2.gz CAQIGKQRVBHOON-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)C[N@H+]1CCCN[C@H](C)CC1 54490883 572693597 /nfs/dbraw/zinc/69/35/97/572693597.db2.gz CAQIGKQRVBHOON-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](C)C[N@@H+]1CCCN[C@H](C)CC1 54490881 572693733 /nfs/dbraw/zinc/69/37/33/572693733.db2.gz CAQIGKQRVBHOON-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](C)C[N@H+]1CCCN[C@H](C)CC1 54490881 572693737 /nfs/dbraw/zinc/69/37/37/572693737.db2.gz CAQIGKQRVBHOON-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO C/C=C/C[N@@H+](CC)[C@H]1CCC[C@H]1CN 253630762 572699841 /nfs/dbraw/zinc/69/98/41/572699841.db2.gz CMMMXEOYIRXPLQ-SCBUBVSKSA-N 1 3 196.338 2.012 10 0 AEAEHO C/C=C/C[N@H+](CC)[C@H]1CCC[C@H]1CN 253630762 572699847 /nfs/dbraw/zinc/69/98/47/572699847.db2.gz CMMMXEOYIRXPLQ-SCBUBVSKSA-N 1 3 196.338 2.012 10 0 AEAEHO C/C=C/CN(CC)[C@H]1CCC[C@H]1C[NH3+] 253630762 572699851 /nfs/dbraw/zinc/69/98/51/572699851.db2.gz CMMMXEOYIRXPLQ-SCBUBVSKSA-N 1 3 196.338 2.012 10 0 AEAEHO C/C=C/CN(C)[C@H]1CCCC[C@H]1C[NH3+] 253630765 572701710 /nfs/dbraw/zinc/70/17/10/572701710.db2.gz NOWKNUMLMWOEAK-QSKOYVBTSA-N 1 3 196.338 2.012 10 0 AEAEHO C/C=C/C[N@H+](C)[C@H]1CCCC[C@H]1CN 253630765 572701714 /nfs/dbraw/zinc/70/17/14/572701714.db2.gz NOWKNUMLMWOEAK-QSKOYVBTSA-N 1 3 196.338 2.012 10 0 AEAEHO C/C=C/C[N@@H+](C)[C@H]1CCCC[C@H]1CN 253630765 572701718 /nfs/dbraw/zinc/70/17/18/572701718.db2.gz NOWKNUMLMWOEAK-QSKOYVBTSA-N 1 3 196.338 2.012 10 0 AEAEHO CNCCC[N@H+](C)[C@@H]1CCC(C)(C)C1 87772962 572707056 /nfs/dbraw/zinc/70/70/56/572707056.db2.gz SARJYYHTCCLGHZ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CNCCC[N@@H+](C)[C@@H]1CCC(C)(C)C1 87772962 572707060 /nfs/dbraw/zinc/70/70/60/572707060.db2.gz SARJYYHTCCLGHZ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO C[NH2+]CCCN(C)[C@@H]1CCC(C)(C)C1 87772962 572707065 /nfs/dbraw/zinc/70/70/65/572707065.db2.gz SARJYYHTCCLGHZ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@]1(C[NH2+]C2CCCCC2)CCCN1 70619661 572711388 /nfs/dbraw/zinc/71/13/88/572711388.db2.gz DDJSPAZFVUEUSA-GFCCVEGCSA-N 1 3 196.338 2.051 10 0 AEAEHO C[C@]1(CNC2CCCCC2)CCC[NH2+]1 70619661 572711382 /nfs/dbraw/zinc/71/13/82/572711382.db2.gz DDJSPAZFVUEUSA-GFCCVEGCSA-N 1 3 196.338 2.051 10 0 AEAEHO C[C@@]1(CNC2CCCCC2)CCC[NH2+]1 70619662 572712111 /nfs/dbraw/zinc/71/21/11/572712111.db2.gz DDJSPAZFVUEUSA-LBPRGKRZSA-N 1 3 196.338 2.051 10 0 AEAEHO C[C@@]1(C[NH2+]C2CCCCC2)CCCN1 70619662 572712115 /nfs/dbraw/zinc/71/21/15/572712115.db2.gz DDJSPAZFVUEUSA-LBPRGKRZSA-N 1 3 196.338 2.051 10 0 AEAEHO CCCC[C@H](C[NH3+])Nc1ccncc1 87780202 572716140 /nfs/dbraw/zinc/71/61/40/572716140.db2.gz PZADYHRRUOKQSW-LLVKDONJSA-N 1 3 193.294 2.011 10 0 AEAEHO CCN(CC)[C@H]1CC[C@H]1C[NH2+]C(C)C 87921490 572741708 /nfs/dbraw/zinc/74/17/08/572741708.db2.gz LFXLMZDGFZTOEI-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH+](CCC)[C@H]1CC[C@@H]1CNC 87921612 572741835 /nfs/dbraw/zinc/74/18/35/572741835.db2.gz HAETVUARRAWSGZ-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH2+]C[C@H]1CC[C@@H]1N(C)C(C)C 87921680 572745601 /nfs/dbraw/zinc/74/56/01/572745601.db2.gz GYFNBGQTWHHBTF-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)C[N@H+](C(C)C)[C@@H]1CC[C@@H]1CN 87922892 572742011 /nfs/dbraw/zinc/74/20/11/572742011.db2.gz RMNBFLCHJNARID-VXGBXAGGSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[N@@H+](C(C)C)[C@@H]1CC[C@@H]1CN 87922892 572742015 /nfs/dbraw/zinc/74/20/15/572742015.db2.gz RMNBFLCHJNARID-VXGBXAGGSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC[NH2+]C[C@H]1CC[C@@H]1N(CC)CC 87921468 572742230 /nfs/dbraw/zinc/74/22/30/572742230.db2.gz AERBWQHGCBMHAS-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCN(C)[C@H]1CC[C@@H]1C[NH2+]C(C)C 87921937 572742277 /nfs/dbraw/zinc/74/22/77/572742277.db2.gz QODPTUBMPHMCIK-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+]C[C@@H]1CC[C@H]1N(C)C(C)C 87921681 572742317 /nfs/dbraw/zinc/74/23/17/572742317.db2.gz GYFNBGQTWHHBTF-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCCN(C)[C@@H]1CC[C@@H]1C[NH2+]C 87922188 572742328 /nfs/dbraw/zinc/74/23/28/572742328.db2.gz ROFHJOHUHFDZMU-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@H+](C)[C@@H]1CC[C@@H]1CNC 87922188 572742330 /nfs/dbraw/zinc/74/23/30/572742330.db2.gz ROFHJOHUHFDZMU-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@@H+](C)[C@@H]1CC[C@@H]1CNC 87922188 572742332 /nfs/dbraw/zinc/74/23/32/572742332.db2.gz ROFHJOHUHFDZMU-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH2+]C[C@@H]1CC[C@@H]1N(C)CCC 87921922 572742571 /nfs/dbraw/zinc/74/25/71/572742571.db2.gz BPPGFKZLPMPPJE-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNC[C@@H]1CC[C@@H]1[N@H+](CC)C(C)C 87922020 572742590 /nfs/dbraw/zinc/74/25/90/572742590.db2.gz CTEGPUZKFKASAM-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@@H]1CC[C@@H]1[N@@H+](CC)C(C)C 87922020 572742593 /nfs/dbraw/zinc/74/25/93/572742593.db2.gz CTEGPUZKFKASAM-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+]C[C@@H]1CC[C@@H]1N(CC)C(C)C 87922020 572742596 /nfs/dbraw/zinc/74/25/96/572742596.db2.gz CTEGPUZKFKASAM-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)C[C@@H](C)[N@H+](C)[C@@H]1CC[C@@H]1CN 87922882 572743359 /nfs/dbraw/zinc/74/33/59/572743359.db2.gz WBQIZJWBWKZPHD-IJLUTSLNSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC[NH2+]C[C@H]1CC[C@H]1N(C)CCC 87921925 572742766 /nfs/dbraw/zinc/74/27/66/572742766.db2.gz BPPGFKZLPMPPJE-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@H+](CC)[C@H]1CC[C@@H]1CNC 87921654 572742781 /nfs/dbraw/zinc/74/27/81/572742781.db2.gz UJJATVPGOMVTQO-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@@H+](CC)[C@H]1CC[C@@H]1CNC 87921654 572742785 /nfs/dbraw/zinc/74/27/85/572742785.db2.gz UJJATVPGOMVTQO-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH+](CCC)[C@@H]1CC[C@@H]1CNC 87921611 572742839 /nfs/dbraw/zinc/74/28/39/572742839.db2.gz HAETVUARRAWSGZ-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)[NH2+]C[C@H]1CC[C@@H]1N(C)C(C)C 87921694 572742863 /nfs/dbraw/zinc/74/28/63/572742863.db2.gz SNOHBUBBJCZRDQ-NEPJUHHUSA-N 1 3 198.354 2.103 10 0 AEAEHO CCNC[C@H]1CC[C@H]1[N@H+](C)[C@@H](C)CC 87921915 572743171 /nfs/dbraw/zinc/74/31/71/572743171.db2.gz JCZQPIJAQQHCSP-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@H]1CC[C@H]1[N@@H+](C)[C@@H](C)CC 87921915 572743174 /nfs/dbraw/zinc/74/31/74/572743174.db2.gz JCZQPIJAQQHCSP-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+]C[C@H]1CC[C@H]1N(C)[C@@H](C)CC 87921915 572743176 /nfs/dbraw/zinc/74/31/76/572743176.db2.gz JCZQPIJAQQHCSP-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[NH2+]C[C@@H]1CC[C@H]1N(C)C(C)C 87921695 572743349 /nfs/dbraw/zinc/74/33/49/572743349.db2.gz SNOHBUBBJCZRDQ-NWDGAFQWSA-N 1 3 198.354 2.103 10 0 AEAEHO CC(C)C[C@@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1CN 87922882 572743362 /nfs/dbraw/zinc/74/33/62/572743362.db2.gz WBQIZJWBWKZPHD-IJLUTSLNSA-N 1 3 198.354 2.090 10 0 AEAEHO CCNC[C@H]1CC[C@H]1[N@H+](CC)C(C)C 87922023 572743372 /nfs/dbraw/zinc/74/33/72/572743372.db2.gz CTEGPUZKFKASAM-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@H]1CC[C@H]1[N@@H+](CC)C(C)C 87922023 572743374 /nfs/dbraw/zinc/74/33/74/572743374.db2.gz CTEGPUZKFKASAM-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+]C[C@H]1CC[C@H]1N(CC)C(C)C 87922023 572743378 /nfs/dbraw/zinc/74/33/78/572743378.db2.gz CTEGPUZKFKASAM-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)[N@H+](C)[C@@H]1CC[C@@H]1CNC 87922294 572743481 /nfs/dbraw/zinc/74/34/81/572743481.db2.gz ITUVSEHWPPOSPP-ZYHUDNBSSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@@H]1CC[C@@H]1CNC 87922294 572743483 /nfs/dbraw/zinc/74/34/83/572743483.db2.gz ITUVSEHWPPOSPP-ZYHUDNBSSA-N 1 3 198.354 2.105 10 0 AEAEHO C[N@H+](CC[C@H]1CCCCN1)C(C)(C)C 85438341 572743740 /nfs/dbraw/zinc/74/37/40/572743740.db2.gz BZFMNQPQKWKPNK-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO C[N@@H+](CC[C@H]1CCCCN1)C(C)(C)C 85438341 572743747 /nfs/dbraw/zinc/74/37/47/572743747.db2.gz BZFMNQPQKWKPNK-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CN(CC[C@H]1CCCC[NH2+]1)C(C)(C)C 85438341 572743750 /nfs/dbraw/zinc/74/37/50/572743750.db2.gz BZFMNQPQKWKPNK-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@H+](C(C)C)[C@H]1CC[C@@H]1CNC 87922087 572744051 /nfs/dbraw/zinc/74/40/51/572744051.db2.gz DGFUYCBRDRYNQT-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@H]1CC[C@@H]1CNC 87922087 572744054 /nfs/dbraw/zinc/74/40/54/572744054.db2.gz DGFUYCBRDRYNQT-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO C[N@H+](CC[C@@H]1CCCCN1)C(C)(C)C 85438339 572744280 /nfs/dbraw/zinc/74/42/80/572744280.db2.gz BZFMNQPQKWKPNK-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO C[N@@H+](CC[C@@H]1CCCCN1)C(C)(C)C 85438339 572744284 /nfs/dbraw/zinc/74/42/84/572744284.db2.gz BZFMNQPQKWKPNK-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CN(CC[C@@H]1CCCC[NH2+]1)C(C)(C)C 85438339 572744291 /nfs/dbraw/zinc/74/42/91/572744291.db2.gz BZFMNQPQKWKPNK-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)[N@H+](CC)[C@@H]1CC[C@@H]1CNC 87922100 572744379 /nfs/dbraw/zinc/74/43/79/572744379.db2.gz DWZHWWLDSUDPMH-IJLUTSLNSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[N@@H+](CC)[C@@H]1CC[C@@H]1CNC 87922100 572744382 /nfs/dbraw/zinc/74/43/82/572744382.db2.gz DWZHWWLDSUDPMH-IJLUTSLNSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@H+](CC)[C@@H]1CC[C@@H]1CNC 87922101 572744443 /nfs/dbraw/zinc/74/44/43/572744443.db2.gz DWZHWWLDSUDPMH-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)[C@@H]1CC[C@@H]1CNC 87922101 572744447 /nfs/dbraw/zinc/74/44/47/572744447.db2.gz DWZHWWLDSUDPMH-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+]C[C@H]1CC[C@H]1N(CC)CC 87921470 572744600 /nfs/dbraw/zinc/74/46/00/572744600.db2.gz AERBWQHGCBMHAS-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@H+](CC)[C@H]1CC[C@@H]1CNCC 87922047 572744613 /nfs/dbraw/zinc/74/46/13/572744613.db2.gz KROPZXBADKEDRG-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@@H+](CC)[C@H]1CC[C@@H]1CNCC 87922047 572744617 /nfs/dbraw/zinc/74/46/17/572744617.db2.gz KROPZXBADKEDRG-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCN(CC)[C@H]1CC[C@@H]1C[NH2+]CC 87922047 572744621 /nfs/dbraw/zinc/74/46/21/572744621.db2.gz KROPZXBADKEDRG-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH+](CCC)[C@H]1CC[C@H]1CNC 87921614 572744646 /nfs/dbraw/zinc/74/46/46/572744646.db2.gz HAETVUARRAWSGZ-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@H+](CC)[C@@H]1CC[C@@H]1CNCC 87922046 572744857 /nfs/dbraw/zinc/74/48/57/572744857.db2.gz KROPZXBADKEDRG-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@@H+](CC)[C@@H]1CC[C@@H]1CNCC 87922046 572744859 /nfs/dbraw/zinc/74/48/59/572744859.db2.gz KROPZXBADKEDRG-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCN(CC)[C@@H]1CC[C@@H]1C[NH2+]CC 87922046 572744862 /nfs/dbraw/zinc/74/48/62/572744862.db2.gz KROPZXBADKEDRG-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)[NH2+]C[C@H]1CC[C@H]1N(C)C(C)C 87921696 572745020 /nfs/dbraw/zinc/74/50/20/572745020.db2.gz SNOHBUBBJCZRDQ-VXGBXAGGSA-N 1 3 198.354 2.103 10 0 AEAEHO CCCCN(C)[C@@H]1CC[C@@H]1C[NH2+]CC 87921645 572745429 /nfs/dbraw/zinc/74/54/29/572745429.db2.gz SELODRXSGNPLKZ-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(CC)[N@H+](C)[C@H]1CC[C@@H]1CNC 87922295 572745167 /nfs/dbraw/zinc/74/51/67/572745167.db2.gz ITUVSEHWPPOSPP-PWSUYJOCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@H]1CC[C@@H]1CNC 87922295 572745169 /nfs/dbraw/zinc/74/51/69/572745169.db2.gz ITUVSEHWPPOSPP-PWSUYJOCSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[NH2+]C[C@@H]1CC[C@@H]1N(C)C(C)C 87921693 572745629 /nfs/dbraw/zinc/74/56/29/572745629.db2.gz SNOHBUBBJCZRDQ-RYUDHWBXSA-N 1 3 198.354 2.103 10 0 AEAEHO CCC[C@H](C)[N@H+](C)[C@@H]1CC[C@@H]1CNC 87922379 572745838 /nfs/dbraw/zinc/74/58/38/572745838.db2.gz AGGQWLLVPSPTMH-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1CNC 87922379 572745842 /nfs/dbraw/zinc/74/58/42/572745842.db2.gz AGGQWLLVPSPTMH-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(C)(C)[N@H+](C)[C@H]1CC[C@@H]1CNC 87923247 572745869 /nfs/dbraw/zinc/74/58/69/572745869.db2.gz TXWXVKRJIXUPCR-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(C)(C)[N@@H+](C)[C@H]1CC[C@@H]1CNC 87923247 572745873 /nfs/dbraw/zinc/74/58/73/572745873.db2.gz TXWXVKRJIXUPCR-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCN(CC)[C@H]1CC[C@@H]1C[NH2+]C(C)C 87921488 572745877 /nfs/dbraw/zinc/74/58/77/572745877.db2.gz LFXLMZDGFZTOEI-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+]C[C@@H]1CC[C@@H]1N(C)C(C)C 87921679 572745881 /nfs/dbraw/zinc/74/58/81/572745881.db2.gz GYFNBGQTWHHBTF-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCN(C)[C@H]1CC[C@@H]1C[NH2+]CC 87921646 572745886 /nfs/dbraw/zinc/74/58/86/572745886.db2.gz SELODRXSGNPLKZ-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCCN(C)[C@H]1CC[C@@H]1C[NH2+]C 87922189 572745896 /nfs/dbraw/zinc/74/58/96/572745896.db2.gz ROFHJOHUHFDZMU-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@H+](C)[C@H]1CC[C@@H]1CNC 87922189 572745898 /nfs/dbraw/zinc/74/58/98/572745898.db2.gz ROFHJOHUHFDZMU-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@@H+](C)[C@H]1CC[C@@H]1CNC 87922189 572745899 /nfs/dbraw/zinc/74/58/99/572745899.db2.gz ROFHJOHUHFDZMU-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH2+]C[C@H]1CC[C@H]1N(C)C(C)C 87921682 572745926 /nfs/dbraw/zinc/74/59/26/572745926.db2.gz GYFNBGQTWHHBTF-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCN(C)[C@@H]1CC[C@@H]1C[NH2+]C(C)C 87921936 572745943 /nfs/dbraw/zinc/74/59/43/572745943.db2.gz QODPTUBMPHMCIK-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+]C[C@@H]1CC[C@H]1N(C)CCC 87921924 572747349 /nfs/dbraw/zinc/74/73/49/572747349.db2.gz BPPGFKZLPMPPJE-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(C)(C)[N@H+](C)[C@@H]1CC[C@@H]1CNC 87923246 572746078 /nfs/dbraw/zinc/74/60/78/572746078.db2.gz TXWXVKRJIXUPCR-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(C)(C)[N@@H+](C)[C@@H]1CC[C@@H]1CNC 87923246 572746086 /nfs/dbraw/zinc/74/60/86/572746086.db2.gz TXWXVKRJIXUPCR-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+]C[C@H]1CC[C@@H]1N(C)CCC 87921923 572746224 /nfs/dbraw/zinc/74/62/24/572746224.db2.gz BPPGFKZLPMPPJE-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNC[C@@H]1CC[C@H]1[N@H+](CC)C(C)C 87922022 572746264 /nfs/dbraw/zinc/74/62/64/572746264.db2.gz CTEGPUZKFKASAM-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@@H]1CC[C@H]1[N@@H+](CC)C(C)C 87922022 572746267 /nfs/dbraw/zinc/74/62/67/572746267.db2.gz CTEGPUZKFKASAM-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+]C[C@@H]1CC[C@H]1N(CC)C(C)C 87922022 572746270 /nfs/dbraw/zinc/74/62/70/572746270.db2.gz CTEGPUZKFKASAM-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@@H]([N@H+](C)[C@@H]1CC[C@@H]1CN)C(C)(C)C 87922559 572746308 /nfs/dbraw/zinc/74/63/08/572746308.db2.gz ZCTQGSJTEUQFLV-GMTAPVOTSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@@H]([N@@H+](C)[C@@H]1CC[C@@H]1CN)C(C)(C)C 87922559 572746312 /nfs/dbraw/zinc/74/63/12/572746312.db2.gz ZCTQGSJTEUQFLV-GMTAPVOTSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC[N@H+](C(C)C)[C@@H]1CC[C@@H]1CNC 87922086 572746343 /nfs/dbraw/zinc/74/63/43/572746343.db2.gz DGFUYCBRDRYNQT-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@@H]1CC[C@@H]1CNC 87922086 572746346 /nfs/dbraw/zinc/74/63/46/572746346.db2.gz DGFUYCBRDRYNQT-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)C[C@H](C)[N@H+](C)[C@@H]1CC[C@@H]1CN 87922883 572747108 /nfs/dbraw/zinc/74/71/08/572747108.db2.gz WBQIZJWBWKZPHD-QJPTWQEYSA-N 1 3 198.354 2.090 10 0 AEAEHO CCN(CC)[C@@H]1CC[C@@H]1C[NH2+]C(C)C 87921487 572746441 /nfs/dbraw/zinc/74/64/41/572746441.db2.gz LFXLMZDGFZTOEI-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@H]([N@H+](C)[C@@H]1CC[C@@H]1CN)C(C)(C)C 87922558 572746472 /nfs/dbraw/zinc/74/64/72/572746472.db2.gz ZCTQGSJTEUQFLV-HBNTYKKESA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H]([N@@H+](C)[C@@H]1CC[C@@H]1CN)C(C)(C)C 87922558 572746478 /nfs/dbraw/zinc/74/64/78/572746478.db2.gz ZCTQGSJTEUQFLV-HBNTYKKESA-N 1 3 198.354 2.090 10 0 AEAEHO CCCC[N@H+](CC)[C@@H]1CC[C@@H]1CNC 87921653 572746892 /nfs/dbraw/zinc/74/68/92/572746892.db2.gz UJJATVPGOMVTQO-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@@H+](CC)[C@@H]1CC[C@@H]1CNC 87921653 572746897 /nfs/dbraw/zinc/74/68/97/572746897.db2.gz UJJATVPGOMVTQO-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN(CC)[C@@H]1CC[C@H]1C[NH2+]C(C)C 87921489 572746927 /nfs/dbraw/zinc/74/69/27/572746927.db2.gz LFXLMZDGFZTOEI-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)C[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1CN 87922883 572747113 /nfs/dbraw/zinc/74/71/13/572747113.db2.gz WBQIZJWBWKZPHD-QJPTWQEYSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC[NH2+]C[C@@H]1CC[C@H]1N(CC)CC 87921469 572747393 /nfs/dbraw/zinc/74/73/93/572747393.db2.gz AERBWQHGCBMHAS-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH+](CCC)[C@@H]1CC[C@H]1CNC 87921613 572747492 /nfs/dbraw/zinc/74/74/92/572747492.db2.gz HAETVUARRAWSGZ-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN(C)[C@@H]1CC[C@@H]1C[NH2+]C(C)(C)C 87921998 572747757 /nfs/dbraw/zinc/74/77/57/572747757.db2.gz YFDUGCHLUNAESM-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN(C)[C@H]1CC[C@@H]1C[NH2+]C(C)(C)C 87921999 572747856 /nfs/dbraw/zinc/74/78/56/572747856.db2.gz YFDUGCHLUNAESM-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+]C[C@@H]1CC[C@@H]1N(CC)CC 87921467 572748034 /nfs/dbraw/zinc/74/80/34/572748034.db2.gz AERBWQHGCBMHAS-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)C[N@H+](C(C)C)[C@H]1CC[C@@H]1CN 87922893 572748083 /nfs/dbraw/zinc/74/80/83/572748083.db2.gz RMNBFLCHJNARID-NEPJUHHUSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[N@@H+](C(C)C)[C@H]1CC[C@@H]1CN 87922893 572748086 /nfs/dbraw/zinc/74/80/86/572748086.db2.gz RMNBFLCHJNARID-NEPJUHHUSA-N 1 3 198.354 2.090 10 0 AEAEHO CCNC[C@H]1CC[C@@H]1[N@H+](CC)C(C)C 87922021 572748169 /nfs/dbraw/zinc/74/81/69/572748169.db2.gz CTEGPUZKFKASAM-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@H]1CC[C@@H]1[N@@H+](CC)C(C)C 87922021 572748172 /nfs/dbraw/zinc/74/81/72/572748172.db2.gz CTEGPUZKFKASAM-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+]C[C@H]1CC[C@@H]1N(CC)C(C)C 87922021 572748176 /nfs/dbraw/zinc/74/81/76/572748176.db2.gz CTEGPUZKFKASAM-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)C[N@H+](CC)[C@@H]1CC[C@@H]1CN 87923458 572749334 /nfs/dbraw/zinc/74/93/34/572749334.db2.gz ONFJCBBANDGNKD-IJLUTSLNSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](C)C[N@@H+](CC)[C@@H]1CC[C@@H]1CN 87923458 572749337 /nfs/dbraw/zinc/74/93/37/572749337.db2.gz ONFJCBBANDGNKD-IJLUTSLNSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)C[N@H+](CC)[C@@H]1CC[C@@H]1CN 87923459 572750178 /nfs/dbraw/zinc/75/01/78/572750178.db2.gz ONFJCBBANDGNKD-QJPTWQEYSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)C[N@@H+](CC)[C@@H]1CC[C@@H]1CN 87923459 572750180 /nfs/dbraw/zinc/75/01/80/572750180.db2.gz ONFJCBBANDGNKD-QJPTWQEYSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]1CCC[C@]([NH3+])(CNC2CCC2)C1 70906251 572751069 /nfs/dbraw/zinc/75/10/69/572751069.db2.gz GPPZREDTODRKLO-ZYHUDNBSSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@H]1CCC[C@]([NH3+])(CNC2CCC2)C1 70906254 572751363 /nfs/dbraw/zinc/75/13/63/572751363.db2.gz GPPZREDTODRKLO-CMPLNLGQSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@H]1CCC[C@@]([NH3+])(CNC2CCC2)C1 70906263 572751393 /nfs/dbraw/zinc/75/13/93/572751393.db2.gz GPPZREDTODRKLO-JQWIXIFHSA-N 1 3 196.338 2.036 10 0 AEAEHO CC(C)[N@H+](C)C[C@]1(N)CCC[C@H](C)C1 70905262 572751988 /nfs/dbraw/zinc/75/19/88/572751988.db2.gz SJBKEQYFPXWSSF-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@@H+](C)C[C@]1(N)CCC[C@H](C)C1 70905262 572751989 /nfs/dbraw/zinc/75/19/89/572751989.db2.gz SJBKEQYFPXWSSF-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@H+](C)C[C@@]1(N)CCC[C@@H](C)C1 70905248 572752094 /nfs/dbraw/zinc/75/20/94/572752094.db2.gz SJBKEQYFPXWSSF-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@@H+](C)C[C@@]1(N)CCC[C@@H](C)C1 70905248 572752099 /nfs/dbraw/zinc/75/20/99/572752099.db2.gz SJBKEQYFPXWSSF-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@H+](C)C[C@]1(N)CCC[C@@H](C)C1 70905255 572752333 /nfs/dbraw/zinc/75/23/33/572752333.db2.gz SJBKEQYFPXWSSF-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@@H+](C)C[C@]1(N)CCC[C@@H](C)C1 70905255 572752335 /nfs/dbraw/zinc/75/23/35/572752335.db2.gz SJBKEQYFPXWSSF-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@H+](C)C[C@@]1(N)CCC[C@H](C)C1 70905251 572753922 /nfs/dbraw/zinc/75/39/22/572753922.db2.gz SJBKEQYFPXWSSF-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@@H+](C)C[C@@]1(N)CCC[C@H](C)C1 70905251 572753927 /nfs/dbraw/zinc/75/39/27/572753927.db2.gz SJBKEQYFPXWSSF-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]1CCC[C@@]([NH3+])(CNC2CCC2)C1 70906258 572754509 /nfs/dbraw/zinc/75/45/09/572754509.db2.gz GPPZREDTODRKLO-PWSUYJOCSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[NH2+]C[C@@H](C)[C@H](C)N(CC)C1CC1 87947295 572759837 /nfs/dbraw/zinc/75/98/37/572759837.db2.gz RUDKPXWDJVCYOX-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+]C[C@@H](C)[C@@H](C)N(CC)C1CC1 87947290 572758883 /nfs/dbraw/zinc/75/88/83/572758883.db2.gz RUDKPXWDJVCYOX-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@@H](C)[C@@H](C)[N@H+](CC)C1CC1 87947290 572758887 /nfs/dbraw/zinc/75/88/87/572758887.db2.gz RUDKPXWDJVCYOX-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@@H](C)[C@@H](C)[N@@H+](CC)C1CC1 87947290 572758891 /nfs/dbraw/zinc/75/88/91/572758891.db2.gz RUDKPXWDJVCYOX-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+]C[C@@H](C)[C@@H](C)N1CCCCC1 87947102 572759043 /nfs/dbraw/zinc/75/90/43/572759043.db2.gz BYYBGQFVEWYHQH-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNC[C@@H](C)[C@@H](C)[N@@H+]1CCC[C@@H]1C 87946902 572759634 /nfs/dbraw/zinc/75/96/34/572759634.db2.gz BTGLIVHXXCHCKJ-GRYCIOLGSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@@H](C)[C@@H](C)[N@H+]1CCC[C@@H]1C 87946902 572759637 /nfs/dbraw/zinc/75/96/37/572759637.db2.gz BTGLIVHXXCHCKJ-GRYCIOLGSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@@H](C)[C@H](C)[N@H+](CC)C1CC1 87947295 572759843 /nfs/dbraw/zinc/75/98/43/572759843.db2.gz RUDKPXWDJVCYOX-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@@H](C)[C@H](C)[N@@H+](CC)C1CC1 87947295 572759848 /nfs/dbraw/zinc/75/98/48/572759848.db2.gz RUDKPXWDJVCYOX-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@H](C)[C@H](C)[N@@H+]1CCC[C@@H]1C 87946909 572759945 /nfs/dbraw/zinc/75/99/45/572759945.db2.gz BTGLIVHXXCHCKJ-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@H](C)[C@H](C)[N@H+]1CCC[C@@H]1C 87946909 572759952 /nfs/dbraw/zinc/75/99/52/572759952.db2.gz BTGLIVHXXCHCKJ-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@H](C)[C@@H](C)[N@@H+]1CCC[C@@H]1C 87946904 572760454 /nfs/dbraw/zinc/76/04/54/572760454.db2.gz BTGLIVHXXCHCKJ-SDDRHHMPSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@H](C)[C@@H](C)[N@H+]1CCC[C@@H]1C 87946904 572760458 /nfs/dbraw/zinc/76/04/58/572760458.db2.gz BTGLIVHXXCHCKJ-SDDRHHMPSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+]C[C@H](C)[C@@H](C)N1CCCCC1 87947104 572760737 /nfs/dbraw/zinc/76/07/37/572760737.db2.gz BYYBGQFVEWYHQH-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+]C[C@H](C)[C@@H](C)N(CC)C1CC1 87947292 572760886 /nfs/dbraw/zinc/76/08/86/572760886.db2.gz RUDKPXWDJVCYOX-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@H](C)[C@@H](C)[N@H+](CC)C1CC1 87947292 572760889 /nfs/dbraw/zinc/76/08/89/572760889.db2.gz RUDKPXWDJVCYOX-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@H](C)[C@@H](C)[N@@H+](CC)C1CC1 87947292 572760893 /nfs/dbraw/zinc/76/08/93/572760893.db2.gz RUDKPXWDJVCYOX-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+]C[C@H](C)[C@H](C)N1CCCCC1 87947109 572761164 /nfs/dbraw/zinc/76/11/64/572761164.db2.gz BYYBGQFVEWYHQH-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+][C@@H](C)C(C)(C)CN1CCCC1 85678065 572769500 /nfs/dbraw/zinc/76/95/00/572769500.db2.gz RWYKXWPWWNCLFJ-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@H](N)C(C)(C)C[N@H+](C)CC1CCC1 85679440 572768739 /nfs/dbraw/zinc/76/87/39/572768739.db2.gz YDUNZMLZBDCHQV-JTQLQIEISA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H](N)C(C)(C)C[N@@H+](C)CC1CCC1 85679440 572768743 /nfs/dbraw/zinc/76/87/43/572768743.db2.gz YDUNZMLZBDCHQV-JTQLQIEISA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H]([NH3+])C(C)(C)CN(C)CC1CCC1 85679440 572768746 /nfs/dbraw/zinc/76/87/46/572768746.db2.gz YDUNZMLZBDCHQV-JTQLQIEISA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](N)C(C)(C)C[N@H+](C)C1CCCC1 85678483 572769061 /nfs/dbraw/zinc/76/90/61/572769061.db2.gz ZUHPZBRKSSPQSF-SNVBAGLBSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](N)C(C)(C)C[N@@H+](C)C1CCCC1 85678483 572769066 /nfs/dbraw/zinc/76/90/66/572769066.db2.gz ZUHPZBRKSSPQSF-SNVBAGLBSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](C)[N@H+](C)CC(C)(C)[C@@H](C)N 85678353 572769154 /nfs/dbraw/zinc/76/91/54/572769154.db2.gz PESKGSAQWHAKPT-NXEZZACHSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@@H](C)[N@@H+](C)CC(C)(C)[C@@H](C)N 85678353 572769159 /nfs/dbraw/zinc/76/91/59/572769159.db2.gz PESKGSAQWHAKPT-NXEZZACHSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@@H](C)N(C)CC(C)(C)[C@@H](C)[NH3+] 85678353 572769174 /nfs/dbraw/zinc/76/91/74/572769174.db2.gz PESKGSAQWHAKPT-NXEZZACHSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[NH2+][C@H](C)C(C)(C)CN1CCCC1 85678069 572769731 /nfs/dbraw/zinc/76/97/31/572769731.db2.gz RWYKXWPWWNCLFJ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@@H](N)C(C)(C)C[N@H+](C)CC1CCC1 85679443 572769827 /nfs/dbraw/zinc/76/98/27/572769827.db2.gz YDUNZMLZBDCHQV-SNVBAGLBSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](N)C(C)(C)C[N@@H+](C)CC1CCC1 85679443 572769828 /nfs/dbraw/zinc/76/98/28/572769828.db2.gz YDUNZMLZBDCHQV-SNVBAGLBSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]([NH3+])C(C)(C)CN(C)CC1CCC1 85679443 572769832 /nfs/dbraw/zinc/76/98/32/572769832.db2.gz YDUNZMLZBDCHQV-SNVBAGLBSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[N@H+](CC)CC(C)(C)[C@@H](C)N 85678369 572771644 /nfs/dbraw/zinc/77/16/44/572771644.db2.gz MMCDERLZJOLFRH-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[N@@H+](CC)CC(C)(C)[C@@H](C)N 85678369 572771646 /nfs/dbraw/zinc/77/16/46/572771646.db2.gz MMCDERLZJOLFRH-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCN(CC)CC(C)(C)[C@@H](C)[NH3+] 85678369 572771649 /nfs/dbraw/zinc/77/16/49/572771649.db2.gz MMCDERLZJOLFRH-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[N@H+](C)CC(C)(C)[C@H](C)N 85678256 572770383 /nfs/dbraw/zinc/77/03/83/572770383.db2.gz BLZBZEPRDQCGTG-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[N@@H+](C)CC(C)(C)[C@H](C)N 85678256 572770386 /nfs/dbraw/zinc/77/03/86/572770386.db2.gz BLZBZEPRDQCGTG-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CCCCN(C)CC(C)(C)[C@H](C)[NH3+] 85678256 572770389 /nfs/dbraw/zinc/77/03/89/572770389.db2.gz BLZBZEPRDQCGTG-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CCCN(CC)CC(C)(C)[C@H](C)[NH3+] 85678371 572771612 /nfs/dbraw/zinc/77/16/12/572771612.db2.gz MMCDERLZJOLFRH-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO C[NH2+][C@H](C)C(C)(C)CN1CCCCC1 85678241 572770688 /nfs/dbraw/zinc/77/06/88/572770688.db2.gz SIBYNNPMMQCRGQ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@H+](C)CC(C)(C)[C@@H](C)N 85678253 572770771 /nfs/dbraw/zinc/77/07/71/572770771.db2.gz BLZBZEPRDQCGTG-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[N@@H+](C)CC(C)(C)[C@@H](C)N 85678253 572770775 /nfs/dbraw/zinc/77/07/75/572770775.db2.gz BLZBZEPRDQCGTG-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCCN(C)CC(C)(C)[C@@H](C)[NH3+] 85678253 572770778 /nfs/dbraw/zinc/77/07/78/572770778.db2.gz BLZBZEPRDQCGTG-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H]1CCC[N@@H+]1CC(C)(C)[C@@H](C)N 85677894 572770906 /nfs/dbraw/zinc/77/09/06/572770906.db2.gz CGWOYHGMOXSSAX-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H]1CCC[N@H+]1CC(C)(C)[C@@H](C)N 85677894 572770910 /nfs/dbraw/zinc/77/09/10/572770910.db2.gz CGWOYHGMOXSSAX-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)C(C)(C)C[N@H+](C)C1CCCC1 85678481 572771369 /nfs/dbraw/zinc/77/13/69/572771369.db2.gz ZUHPZBRKSSPQSF-JTQLQIEISA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)C(C)(C)C[N@@H+](C)C1CCCC1 85678481 572771374 /nfs/dbraw/zinc/77/13/74/572771374.db2.gz ZUHPZBRKSSPQSF-JTQLQIEISA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](C1CC1)[N@@H+](C)CC(C)(C)[C@@H](C)N 85678691 572771470 /nfs/dbraw/zinc/77/14/70/572771470.db2.gz KFDOQNFXUPMVLC-VHSXEESVSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@@H](C1CC1)[N@H+](C)CC(C)(C)[C@@H](C)N 85678691 572771473 /nfs/dbraw/zinc/77/14/73/572771473.db2.gz KFDOQNFXUPMVLC-VHSXEESVSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC[N@H+](CC)CC(C)(C)[C@H](C)N 85678371 572771604 /nfs/dbraw/zinc/77/16/04/572771604.db2.gz MMCDERLZJOLFRH-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[N@@H+](CC)CC(C)(C)[C@H](C)N 85678371 572771608 /nfs/dbraw/zinc/77/16/08/572771608.db2.gz MMCDERLZJOLFRH-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CC[N@H+](CC1CC1)CC(C)(C)[C@H](C)N 85679648 572772092 /nfs/dbraw/zinc/77/20/92/572772092.db2.gz HRKRVZYNPDSGET-JTQLQIEISA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](CC1CC1)CC(C)(C)[C@H](C)N 85679648 572772098 /nfs/dbraw/zinc/77/20/98/572772098.db2.gz HRKRVZYNPDSGET-JTQLQIEISA-N 1 3 198.354 2.092 10 0 AEAEHO C[NH2+][C@@H](C)C(C)(C)CN1CCCCC1 85678240 572772186 /nfs/dbraw/zinc/77/21/86/572772186.db2.gz SIBYNNPMMQCRGQ-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H]1CCC[N@@H+]1CC(C)(C)[C@@H](C)N 85677897 572772370 /nfs/dbraw/zinc/77/23/70/572772370.db2.gz CGWOYHGMOXSSAX-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H]1CCC[N@H+]1CC(C)(C)[C@@H](C)N 85677897 572772376 /nfs/dbraw/zinc/77/23/76/572772376.db2.gz CGWOYHGMOXSSAX-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@H+](C)CC(C)(C)[C@@H](C)N 85678354 572772417 /nfs/dbraw/zinc/77/24/17/572772417.db2.gz PESKGSAQWHAKPT-VHSXEESVSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@H](C)[N@@H+](C)CC(C)(C)[C@@H](C)N 85678354 572772420 /nfs/dbraw/zinc/77/24/20/572772420.db2.gz PESKGSAQWHAKPT-VHSXEESVSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@H](C)N(C)CC(C)(C)[C@@H](C)[NH3+] 85678354 572772423 /nfs/dbraw/zinc/77/24/23/572772423.db2.gz PESKGSAQWHAKPT-VHSXEESVSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[N@H+](CC(C)(C)[C@H](C)N)C(C)C 85678452 572772766 /nfs/dbraw/zinc/77/27/66/572772766.db2.gz MUJMMCPBPZPRNQ-JTQLQIEISA-N 1 3 186.343 2.090 10 0 AEAEHO CC[N@@H+](CC(C)(C)[C@H](C)N)C(C)C 85678452 572772769 /nfs/dbraw/zinc/77/27/69/572772769.db2.gz MUJMMCPBPZPRNQ-JTQLQIEISA-N 1 3 186.343 2.090 10 0 AEAEHO CCN(CC(C)(C)[C@H](C)[NH3+])C(C)C 85678452 572772771 /nfs/dbraw/zinc/77/27/71/572772771.db2.gz MUJMMCPBPZPRNQ-JTQLQIEISA-N 1 3 186.343 2.090 10 0 AEAEHO CC[N@H+](CC1CC1)CC(C)(C)[C@@H](C)N 85679645 572772834 /nfs/dbraw/zinc/77/28/34/572772834.db2.gz HRKRVZYNPDSGET-SNVBAGLBSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](CC1CC1)CC(C)(C)[C@@H](C)N 85679645 572772836 /nfs/dbraw/zinc/77/28/36/572772836.db2.gz HRKRVZYNPDSGET-SNVBAGLBSA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(CC(C)(C)[C@@H](C)[NH3+])C(C)C 85678450 572772904 /nfs/dbraw/zinc/77/29/04/572772904.db2.gz MUJMMCPBPZPRNQ-SNVBAGLBSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[N@H+](CC(C)(C)[C@@H](C)N)C(C)C 85678450 572772898 /nfs/dbraw/zinc/77/28/98/572772898.db2.gz MUJMMCPBPZPRNQ-SNVBAGLBSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[N@@H+](CC(C)(C)[C@@H](C)N)C(C)C 85678450 572772901 /nfs/dbraw/zinc/77/29/01/572772901.db2.gz MUJMMCPBPZPRNQ-SNVBAGLBSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@H](C)[N@H+](C)[C@H]1CCN[C@H](CC)C1 307766678 572784126 /nfs/dbraw/zinc/78/41/26/572784126.db2.gz FFSCAVHSXYDYGL-TUAOUCFPSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H](C)[N@@H+](C)[C@H]1CCN[C@H](CC)C1 307766678 572784132 /nfs/dbraw/zinc/78/41/32/572784132.db2.gz FFSCAVHSXYDYGL-TUAOUCFPSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[N@H+](CC)[C@H]1CCN[C@H](CC)C1 307766144 572784279 /nfs/dbraw/zinc/78/42/79/572784279.db2.gz BOQTXXVHICMRGY-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+](CC)[C@H]1CCN[C@H](CC)C1 307766144 572784283 /nfs/dbraw/zinc/78/42/83/572784283.db2.gz BOQTXXVHICMRGY-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H]1C[C@@H]([N@H+](C)CC(C)C)CCN1 307766701 572784368 /nfs/dbraw/zinc/78/43/68/572784368.db2.gz FNKYVMLYVDRBQV-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H]1C[C@@H]([N@@H+](C)CC(C)C)CCN1 307766701 572784373 /nfs/dbraw/zinc/78/43/73/572784373.db2.gz FNKYVMLYVDRBQV-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H]1C[C@H]([N@@H+](C)[C@H](C)CC)CCN1 307766676 572784441 /nfs/dbraw/zinc/78/44/41/572784441.db2.gz FFSCAVHSXYDYGL-IJLUTSLNSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H]1C[C@H]([N@H+](C)[C@H](C)CC)CCN1 307766676 572784444 /nfs/dbraw/zinc/78/44/44/572784444.db2.gz FFSCAVHSXYDYGL-IJLUTSLNSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H]1C[C@H]([N@H+](C)CC(C)C)CCN1 307766704 572784662 /nfs/dbraw/zinc/78/46/62/572784662.db2.gz FNKYVMLYVDRBQV-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H]1C[C@H]([N@@H+](C)CC(C)C)CCN1 307766704 572784664 /nfs/dbraw/zinc/78/46/64/572784664.db2.gz FNKYVMLYVDRBQV-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@H+](CC)[C@@H]1CCN[C@@H](CC)C1 307766145 572784743 /nfs/dbraw/zinc/78/47/43/572784743.db2.gz BOQTXXVHICMRGY-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+](CC)[C@@H]1CCN[C@@H](CC)C1 307766145 572784745 /nfs/dbraw/zinc/78/47/45/572784745.db2.gz BOQTXXVHICMRGY-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H]1C[C@@H]([N@H+](CC)C(C)C)CCN1 307765912 572784791 /nfs/dbraw/zinc/78/47/91/572784791.db2.gz BBUALRAKTWQFIO-RYUDHWBXSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H]1C[C@@H]([N@@H+](CC)C(C)C)CCN1 307765912 572784792 /nfs/dbraw/zinc/78/47/92/572784792.db2.gz BBUALRAKTWQFIO-RYUDHWBXSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H]1C[C@@H]([N@@H+](C)[C@H](C)CC)CCN1 307766679 572784924 /nfs/dbraw/zinc/78/49/24/572784924.db2.gz FFSCAVHSXYDYGL-UTUOFQBUSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H]1C[C@@H]([N@H+](C)[C@H](C)CC)CCN1 307766679 572784929 /nfs/dbraw/zinc/78/49/29/572784929.db2.gz FFSCAVHSXYDYGL-UTUOFQBUSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H]1C[C@@H]([N@H+](C)CC(C)C)CCN1 307766703 572785065 /nfs/dbraw/zinc/78/50/65/572785065.db2.gz FNKYVMLYVDRBQV-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H]1C[C@@H]([N@@H+](C)CC(C)C)CCN1 307766703 572785075 /nfs/dbraw/zinc/78/50/75/572785075.db2.gz FNKYVMLYVDRBQV-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H]1C[C@H]([N@H+](C)CC(C)C)CCN1 307766702 572785233 /nfs/dbraw/zinc/78/52/33/572785233.db2.gz FNKYVMLYVDRBQV-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H]1C[C@H]([N@@H+](C)CC(C)C)CCN1 307766702 572785236 /nfs/dbraw/zinc/78/52/36/572785236.db2.gz FNKYVMLYVDRBQV-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@H+](CC)[C@@H]1CCN[C@H](CC)C1 307766147 572785606 /nfs/dbraw/zinc/78/56/06/572785606.db2.gz BOQTXXVHICMRGY-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+](CC)[C@@H]1CCN[C@H](CC)C1 307766147 572785608 /nfs/dbraw/zinc/78/56/08/572785608.db2.gz BOQTXXVHICMRGY-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@H+](CC)[C@H]1CCN[C@@H](CC)C1 307766146 572785996 /nfs/dbraw/zinc/78/59/96/572785996.db2.gz BOQTXXVHICMRGY-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+](CC)[C@H]1CCN[C@@H](CC)C1 307766146 572785997 /nfs/dbraw/zinc/78/59/97/572785997.db2.gz BOQTXXVHICMRGY-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H]1C[C@H]([N@H+](CC)C(C)C)CCN1 307765911 572786191 /nfs/dbraw/zinc/78/61/91/572786191.db2.gz BBUALRAKTWQFIO-NWDGAFQWSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H]1C[C@H]([N@@H+](CC)C(C)C)CCN1 307765911 572786194 /nfs/dbraw/zinc/78/61/94/572786194.db2.gz BBUALRAKTWQFIO-NWDGAFQWSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H]1C[C@H]([N@H+](CC)C(C)C)CCN1 307765913 572786568 /nfs/dbraw/zinc/78/65/68/572786568.db2.gz BBUALRAKTWQFIO-VXGBXAGGSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H]1C[C@H]([N@@H+](CC)C(C)C)CCN1 307765913 572786572 /nfs/dbraw/zinc/78/65/72/572786572.db2.gz BBUALRAKTWQFIO-VXGBXAGGSA-N 1 3 198.354 2.247 10 0 AEAEHO CCCC[C@H]([NH3+])C(C)(C)N1CCCC1 85740248 572787360 /nfs/dbraw/zinc/78/73/60/572787360.db2.gz SKXDNODBLRZEFX-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@](C)([C@@H]([NH3+])C(C)(C)C)N(C)C 85745424 572787658 /nfs/dbraw/zinc/78/76/58/572787658.db2.gz KIZIJDGEJPELOC-GXSJLCMTSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@](C)([C@H]([NH3+])C(C)(C)C)N(C)C 85745416 572787887 /nfs/dbraw/zinc/78/78/87/572787887.db2.gz KIZIJDGEJPELOC-MWLCHTKSSA-N 1 3 186.343 2.090 10 0 AEAEHO CCN(CC)[C@@](C)(CC)[C@@H]([NH3+])C1CC1 85747974 572788439 /nfs/dbraw/zinc/78/84/39/572788439.db2.gz WDBBQZSLUKTJED-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CCN(CC)[C@](C)(CC)[C@@H]([NH3+])C1CC1 85747978 572788493 /nfs/dbraw/zinc/78/84/93/572788493.db2.gz WDBBQZSLUKTJED-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CCN(CC)[C@@](C)(CC)[C@H]([NH3+])C1CC1 85747968 572789676 /nfs/dbraw/zinc/78/96/76/572789676.db2.gz WDBBQZSLUKTJED-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@](C)([C@@H]([NH3+])C(C)(C)C)N(C)C 85745419 572790111 /nfs/dbraw/zinc/79/01/11/572790111.db2.gz KIZIJDGEJPELOC-ONGXEEELSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[N@H+](CCCN)[C@@H](C)CC(C)C 308127777 572790598 /nfs/dbraw/zinc/79/05/98/572790598.db2.gz BZLRICKWSBHHTL-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CC[N@@H+](CCCN)[C@@H](C)CC(C)C 308127777 572790602 /nfs/dbraw/zinc/79/06/02/572790602.db2.gz BZLRICKWSBHHTL-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[N@H+](C)[C@H]1CCN[C@H](CC)C1 307769324 572790855 /nfs/dbraw/zinc/79/08/55/572790855.db2.gz LFPDZDRQFONBGJ-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@@H+](C)[C@H]1CCN[C@H](CC)C1 307769324 572790859 /nfs/dbraw/zinc/79/08/59/572790859.db2.gz LFPDZDRQFONBGJ-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCN(C)[C@H]1CC[NH2+][C@H](CC)C1 307769324 572790864 /nfs/dbraw/zinc/79/08/64/572790864.db2.gz LFPDZDRQFONBGJ-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN(CC)[C@](C)(CC)[C@H]([NH3+])C1CC1 85747972 572790885 /nfs/dbraw/zinc/79/08/85/572790885.db2.gz WDBBQZSLUKTJED-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCC[N@H+](C)[C@@H]1CCN[C@H](CC)C1 307769327 572791719 /nfs/dbraw/zinc/79/17/19/572791719.db2.gz LFPDZDRQFONBGJ-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@@H+](C)[C@@H]1CCN[C@H](CC)C1 307769327 572791720 /nfs/dbraw/zinc/79/17/20/572791720.db2.gz LFPDZDRQFONBGJ-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[N@H+](CCCN)[C@H](C)CC(C)C 308127776 572791020 /nfs/dbraw/zinc/79/10/20/572791020.db2.gz BZLRICKWSBHHTL-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[N@@H+](CCCN)[C@H](C)CC(C)C 308127776 572791026 /nfs/dbraw/zinc/79/10/26/572791026.db2.gz BZLRICKWSBHHTL-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@](C)([C@H]([NH3+])C(C)(C)C)N(C)C 85745413 572791267 /nfs/dbraw/zinc/79/12/67/572791267.db2.gz KIZIJDGEJPELOC-KOLCDFICSA-N 1 3 186.343 2.090 10 0 AEAEHO CCCC[C@@H]([NH3+])C(C)(C)N1CCCC1 85740254 572791400 /nfs/dbraw/zinc/79/14/00/572791400.db2.gz SKXDNODBLRZEFX-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCCN(C)[C@@H]1CC[NH2+][C@@H](CC)C1 307769325 572791830 /nfs/dbraw/zinc/79/18/30/572791830.db2.gz LFPDZDRQFONBGJ-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@H+](C)[C@H]1CCN[C@@H](CC)C1 307769326 572791581 /nfs/dbraw/zinc/79/15/81/572791581.db2.gz LFPDZDRQFONBGJ-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@@H+](C)[C@H]1CCN[C@@H](CC)C1 307769326 572791588 /nfs/dbraw/zinc/79/15/88/572791588.db2.gz LFPDZDRQFONBGJ-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCN(C)[C@H]1CC[NH2+][C@@H](CC)C1 307769326 572791591 /nfs/dbraw/zinc/79/15/91/572791591.db2.gz LFPDZDRQFONBGJ-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCN(C)[C@@H]1CC[NH2+][C@H](CC)C1 307769327 572791722 /nfs/dbraw/zinc/79/17/22/572791722.db2.gz LFPDZDRQFONBGJ-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@H+](C)[C@@H]1CCN[C@@H](CC)C1 307769325 572791825 /nfs/dbraw/zinc/79/18/25/572791825.db2.gz LFPDZDRQFONBGJ-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@@H+](C)[C@@H]1CCN[C@@H](CC)C1 307769325 572791827 /nfs/dbraw/zinc/79/18/27/572791827.db2.gz LFPDZDRQFONBGJ-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H]1CCN(C(C)C)CC[C@H](C)[NH2+]1 49663035 572792596 /nfs/dbraw/zinc/79/25/96/572792596.db2.gz NYUCELZOXRCFQM-NWDGAFQWSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H]1CC[N@@H+](C(C)C)CC[C@H](C)N1 49663035 572792599 /nfs/dbraw/zinc/79/25/99/572792599.db2.gz NYUCELZOXRCFQM-NWDGAFQWSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H]1CC[N@H+](C(C)C)CC[C@H](C)N1 49663035 572792605 /nfs/dbraw/zinc/79/26/05/572792605.db2.gz NYUCELZOXRCFQM-NWDGAFQWSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H]1CCN(C(C)C)CC[C@H](C)[NH2+]1 49663037 572792888 /nfs/dbraw/zinc/79/28/88/572792888.db2.gz NYUCELZOXRCFQM-RYUDHWBXSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H]1CC[N@@H+](C(C)C)CC[C@H](C)N1 49663037 572792890 /nfs/dbraw/zinc/79/28/90/572792890.db2.gz NYUCELZOXRCFQM-RYUDHWBXSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H]1CC[N@H+](C(C)C)CC[C@H](C)N1 49663037 572792894 /nfs/dbraw/zinc/79/28/94/572792894.db2.gz NYUCELZOXRCFQM-RYUDHWBXSA-N 1 3 198.354 2.247 10 0 AEAEHO C[C@H]1CC[NH+](C(C)(C)C)CC[C@H](C)N1 49662956 572793182 /nfs/dbraw/zinc/79/31/82/572793182.db2.gz ZYOJZJYRBFVMIS-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H]1CC[N@@H+](C(C)(C)C)CCCN1 49662943 572793520 /nfs/dbraw/zinc/79/35/20/572793520.db2.gz VNISCHUQAHJSLQ-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H]1CC[N@H+](C(C)(C)C)CCCN1 49662943 572793524 /nfs/dbraw/zinc/79/35/24/572793524.db2.gz VNISCHUQAHJSLQ-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H]1CCN(C(C)(C)C)CCC[NH2+]1 49662943 572793526 /nfs/dbraw/zinc/79/35/26/572793526.db2.gz VNISCHUQAHJSLQ-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H]([NH2+]C)[C@](C)(CC)N1CCCC1 85749071 572793607 /nfs/dbraw/zinc/79/36/07/572793607.db2.gz ONHPEXOXXKTGCS-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](NC)[C@](C)(CC)[NH+]1CCCC1 85749071 572793610 /nfs/dbraw/zinc/79/36/10/572793610.db2.gz ONHPEXOXXKTGCS-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](NC)[C@](C)(CC)[NH+]1CCCC1 85749069 572795217 /nfs/dbraw/zinc/79/52/17/572795217.db2.gz ONHPEXOXXKTGCS-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H]1CCN(C(C)C)C[C@H](C)C[NH2+]1 49663040 572794638 /nfs/dbraw/zinc/79/46/38/572794638.db2.gz SQEPESQFNVMDQN-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H]1CC[N@@H+](C(C)C)C[C@H](C)CN1 49663040 572794641 /nfs/dbraw/zinc/79/46/41/572794641.db2.gz SQEPESQFNVMDQN-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H]1CC[N@H+](C(C)C)C[C@H](C)CN1 49663040 572794646 /nfs/dbraw/zinc/79/46/46/572794646.db2.gz SQEPESQFNVMDQN-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@@H]1CC[NH+](C(C)(C)C)CC[C@@H](C)N1 49662958 572794769 /nfs/dbraw/zinc/79/47/69/572794769.db2.gz ZYOJZJYRBFVMIS-GHMZBOCLSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H]([NH2+]C)[C@](C)(CC)N1CCCC1 85749069 572795215 /nfs/dbraw/zinc/79/52/15/572795215.db2.gz ONHPEXOXXKTGCS-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H]([NH2+]C)[C@@](C)(CC)N1CCCC1 85749067 572795616 /nfs/dbraw/zinc/79/56/16/572795616.db2.gz ONHPEXOXXKTGCS-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](NC)[C@@](C)(CC)[NH+]1CCCC1 85749067 572795620 /nfs/dbraw/zinc/79/56/20/572795620.db2.gz ONHPEXOXXKTGCS-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO C[C@H]1CC[N@@H+](C(C)(C)C)C[C@H](C)CN1 49662961 572796070 /nfs/dbraw/zinc/79/60/70/572796070.db2.gz OTNCRTYTCODVQX-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@H]1CC[N@H+](C(C)(C)C)C[C@H](C)CN1 49662961 572796073 /nfs/dbraw/zinc/79/60/73/572796073.db2.gz OTNCRTYTCODVQX-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H]1CCN(C(C)C)C[C@H](C)C[NH2+]1 49663038 572796726 /nfs/dbraw/zinc/79/67/26/572796726.db2.gz SQEPESQFNVMDQN-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H]1CC[N@@H+](C(C)C)C[C@H](C)CN1 49663038 572796730 /nfs/dbraw/zinc/79/67/30/572796730.db2.gz SQEPESQFNVMDQN-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H]1CC[N@H+](C(C)C)C[C@H](C)CN1 49663038 572796734 /nfs/dbraw/zinc/79/67/34/572796734.db2.gz SQEPESQFNVMDQN-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@H]1CC[N@@H+](C(C)(C)C)CC[C@@H](C)N1 49662954 572796745 /nfs/dbraw/zinc/79/67/45/572796745.db2.gz ZYOJZJYRBFVMIS-PHIMTYICSA-N 1 3 198.354 2.247 10 0 AEAEHO C[C@H]1CC[N@H+](C(C)(C)C)CC[C@@H](C)N1 49662954 572796748 /nfs/dbraw/zinc/79/67/48/572796748.db2.gz ZYOJZJYRBFVMIS-PHIMTYICSA-N 1 3 198.354 2.247 10 0 AEAEHO C[C@@H]1CN[C@H](C)CC[N@@H+](C(C)(C)C)C1 49662959 572797496 /nfs/dbraw/zinc/79/74/96/572797496.db2.gz OTNCRTYTCODVQX-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@@H]1CN[C@H](C)CC[N@H+](C(C)(C)C)C1 49662959 572797500 /nfs/dbraw/zinc/79/75/00/572797500.db2.gz OTNCRTYTCODVQX-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[C@H](C)[N@@H+]1CCCN[C@@H](C)CC1 49662751 572797524 /nfs/dbraw/zinc/79/75/24/572797524.db2.gz QLSSHKPYDKOSJB-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[C@H](C)[N@H+]1CCCN[C@@H](C)CC1 49662751 572797528 /nfs/dbraw/zinc/79/75/28/572797528.db2.gz QLSSHKPYDKOSJB-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H]1CC[N@@H+](C(C)(C)C)CCCN1 49662942 572797704 /nfs/dbraw/zinc/79/77/04/572797704.db2.gz VNISCHUQAHJSLQ-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H]1CC[N@H+](C(C)(C)C)CCCN1 49662942 572797708 /nfs/dbraw/zinc/79/77/08/572797708.db2.gz VNISCHUQAHJSLQ-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H]1CCN(C(C)(C)C)CCC[NH2+]1 49662942 572797712 /nfs/dbraw/zinc/79/77/12/572797712.db2.gz VNISCHUQAHJSLQ-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H]1CC[N@H+](CC(C)C)CCCN1 49664843 572798312 /nfs/dbraw/zinc/79/83/12/572798312.db2.gz KCJYDNCJFZELMU-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H]1CC[N@@H+](CC(C)C)CCCN1 49664843 572798318 /nfs/dbraw/zinc/79/83/18/572798318.db2.gz KCJYDNCJFZELMU-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H]1CCN(CC(C)C)CCC[NH2+]1 49664843 572798322 /nfs/dbraw/zinc/79/83/22/572798322.db2.gz KCJYDNCJFZELMU-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(C)(C)[N@@H+]1CCCN[C@@H](C)CC1 49664981 572798385 /nfs/dbraw/zinc/79/83/85/572798385.db2.gz ZECURHNFHMRVBA-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCC(C)(C)[N@H+]1CCCN[C@@H](C)CC1 49664981 572798387 /nfs/dbraw/zinc/79/83/87/572798387.db2.gz ZECURHNFHMRVBA-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)C[C@@H](C)[NH+]1CCCNCCC1 49666055 572798524 /nfs/dbraw/zinc/79/85/24/572798524.db2.gz FXCCCTUOWHANIK-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@@H]1CC[N@H+](CC(C)(C)C)CCCN1 49667076 572798587 /nfs/dbraw/zinc/79/85/87/572798587.db2.gz LTHLLQGHXRYFRO-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@@H]1CC[N@@H+](CC(C)(C)C)CCCN1 49667076 572798595 /nfs/dbraw/zinc/79/85/95/572798595.db2.gz LTHLLQGHXRYFRO-LLVKDONJSA-N 1 3 198.354 2.106 10 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/nfs/dbraw/zinc/79/93/87/572799387.db2.gz TUNPPFFAJRDPNZ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(CC)[N@H+]1CCCNC[C@@H](C)C1 49664936 572799393 /nfs/dbraw/zinc/79/93/93/572799393.db2.gz TUNPPFFAJRDPNZ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[NH+]1CC[C@H](C)N[C@@H](C)CC1 49663236 572799520 /nfs/dbraw/zinc/79/95/20/572799520.db2.gz YIKSRWACMDTGBF-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@@H+]1CC[C@H](C)NC[C@H](C)C1 49663237 572799612 /nfs/dbraw/zinc/79/96/12/572799612.db2.gz MBOHNAGRVITBQW-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@H+]1CC[C@H](C)NC[C@H](C)C1 49663237 572799618 /nfs/dbraw/zinc/79/96/18/572799618.db2.gz MBOHNAGRVITBQW-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H]1CCN([C@@H](C)CC)CCC[NH2+]1 49664355 572802832 /nfs/dbraw/zinc/80/28/32/572802832.db2.gz DBHNUXXXIATFIX-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC(CC)[N@@H+]1CCCN[C@H](C)CC1 49664916 572799859 /nfs/dbraw/zinc/79/98/59/572799859.db2.gz CQBMGPUSAIQUBS-LLVKDONJSA-N 1 3 198.354 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CC(C)C[C@H](C)[N@H+]1CC[C@@H](N)C[C@H]1C 49710777 572805179 /nfs/dbraw/zinc/80/51/79/572805179.db2.gz RWYMGWYPVBXIMZ-QJPTWQEYSA-N 1 3 198.354 2.233 10 0 AEAEHO CN[C@@H]1CC[N@H+]([C@@H](C)C(C)C)[C@H](C)C1 49710320 572805230 /nfs/dbraw/zinc/80/52/30/572805230.db2.gz BYEHGLHOWURGGU-GRYCIOLGSA-N 1 3 198.354 2.103 10 0 AEAEHO CN[C@@H]1CC[N@@H+]([C@@H](C)C(C)C)[C@H](C)C1 49710320 572805232 /nfs/dbraw/zinc/80/52/32/572805232.db2.gz BYEHGLHOWURGGU-GRYCIOLGSA-N 1 3 198.354 2.103 10 0 AEAEHO CC(C)C[C@H](C)[N@@H+]1CC[C@H](N)[C@H](C)C1 49710758 572805245 /nfs/dbraw/zinc/80/52/45/572805245.db2.gz MWISFKFPJXZKJJ-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@H](C)[N@H+]1CC[C@H](N)[C@H](C)C1 49710758 572805247 /nfs/dbraw/zinc/80/52/47/572805247.db2.gz MWISFKFPJXZKJJ-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@H](C)[C@H](C)[N@@H+]1CC[C@H](N)C[C@@H]1C 49713314 572805607 /nfs/dbraw/zinc/80/56/07/572805607.db2.gz RITNRNRXWMIVBC-BJDJZHNGSA-N 1 3 198.354 2.233 10 0 AEAEHO CC[C@H](C)[C@H](C)[N@H+]1CC[C@H](N)C[C@@H]1C 49713314 572805613 /nfs/dbraw/zinc/80/56/13/572805613.db2.gz RITNRNRXWMIVBC-BJDJZHNGSA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)C[C@H](C)[N@@H+]1CC[C@@H](N)C[C@@H]1C 49710779 572805647 /nfs/dbraw/zinc/80/56/47/572805647.db2.gz RWYMGWYPVBXIMZ-SDDRHHMPSA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)C[C@H](C)[N@@H+]1CC[C@H](N)[C@@H](C)C1 49710759 572806096 /nfs/dbraw/zinc/80/60/96/572806096.db2.gz MWISFKFPJXZKJJ-SRVKXCTJSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@H](C)[N@H+]1CC[C@H](N)[C@@H](C)C1 49710759 572806098 /nfs/dbraw/zinc/80/60/98/572806098.db2.gz MWISFKFPJXZKJJ-SRVKXCTJSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC(C)(C)[N@@H+]1CC[C@@H](NC)C[C@@H]1C 49709156 572806369 /nfs/dbraw/zinc/80/63/69/572806369.db2.gz DKWDIGJKOLVKKS-WDEREUQCSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(C)(C)[N@H+]1CC[C@@H](NC)C[C@@H]1C 49709156 572806373 /nfs/dbraw/zinc/80/63/73/572806373.db2.gz DKWDIGJKOLVKKS-WDEREUQCSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(C)(C)[N@@H+]1CC[C@H](NC)C[C@@H]1C 49709155 572806719 /nfs/dbraw/zinc/80/67/19/572806719.db2.gz DKWDIGJKOLVKKS-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(C)(C)[N@H+]1CC[C@H](NC)C[C@@H]1C 49709155 572806722 /nfs/dbraw/zinc/80/67/22/572806722.db2.gz DKWDIGJKOLVKKS-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1C1CCCCC1 49709181 572806826 /nfs/dbraw/zinc/80/68/26/572806826.db2.gz USANKBRMTDAJNI-GHMZBOCLSA-N 1 3 196.338 2.131 10 0 AEAEHO C[C@@H]1C[C@H](N)CC[N@H+]1C1CCCCC1 49709181 572806828 /nfs/dbraw/zinc/80/68/28/572806828.db2.gz USANKBRMTDAJNI-GHMZBOCLSA-N 1 3 196.338 2.131 10 0 AEAEHO CCC(C)(C)[N@@H+]1CC[C@H](NC)[C@H](C)C1 49709140 572806947 /nfs/dbraw/zinc/80/69/47/572806947.db2.gz UADYHOAQIWMBBJ-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(C)(C)[N@H+]1CC[C@H](NC)[C@H](C)C1 49709140 572806948 /nfs/dbraw/zinc/80/69/48/572806948.db2.gz UADYHOAQIWMBBJ-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(C)(C)[N@@H+]1CC[C@@H](NC)[C@H](C)C1 49709141 572807014 /nfs/dbraw/zinc/80/70/14/572807014.db2.gz UADYHOAQIWMBBJ-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C(C)C)[N@@H+]1CC[C@H](N)[C@H](C)C1 49713460 572807027 /nfs/dbraw/zinc/80/70/27/572807027.db2.gz CBJUEORXEXLBLM-GRYCIOLGSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@H](C(C)C)[N@H+]1CC[C@H](N)[C@H](C)C1 49713460 572807031 /nfs/dbraw/zinc/80/70/31/572807031.db2.gz CBJUEORXEXLBLM-GRYCIOLGSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1C1CCCCC1 49709186 572807193 /nfs/dbraw/zinc/80/71/93/572807193.db2.gz USANKBRMTDAJNI-QWRGUYRKSA-N 1 3 196.338 2.131 10 0 AEAEHO C[C@H]1C[C@@H](N)CC[N@H+]1C1CCCCC1 49709186 572807195 /nfs/dbraw/zinc/80/71/95/572807195.db2.gz USANKBRMTDAJNI-QWRGUYRKSA-N 1 3 196.338 2.131 10 0 AEAEHO CCC(CC)[N@@H+]1CC[C@H](NC)C[C@@H]1C 49709096 572807235 /nfs/dbraw/zinc/80/72/35/572807235.db2.gz NUYUHFWWODWEEG-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(CC)[N@H+]1CC[C@H](NC)C[C@@H]1C 49709096 572807239 /nfs/dbraw/zinc/80/72/39/572807239.db2.gz NUYUHFWWODWEEG-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H](C)[C@H](C)[N@@H+]1CC[C@H](N)[C@H](C)C1 49713296 572807271 /nfs/dbraw/zinc/80/72/71/572807271.db2.gz FMFUNXDPWJFOFC-USZNOCQGSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@H](C)[C@H](C)[N@H+]1CC[C@H](N)[C@H](C)C1 49713296 572807275 /nfs/dbraw/zinc/80/72/75/572807275.db2.gz FMFUNXDPWJFOFC-USZNOCQGSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[NH2+]CC[C@@H]1CCCCN1C 49754997 572807440 /nfs/dbraw/zinc/80/74/40/572807440.db2.gz LOGBFVMGUVTCSU-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C(C)C)[N@@H+]1CC[C@H](N)C[C@@H]1C 49713470 572807847 /nfs/dbraw/zinc/80/78/47/572807847.db2.gz NDYVZGWZKWZPMV-SDDRHHMPSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C1CCCCC1 49709184 572807807 /nfs/dbraw/zinc/80/78/07/572807807.db2.gz USANKBRMTDAJNI-MNOVXSKESA-N 1 3 196.338 2.131 10 0 AEAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1C1CCCCC1 49709184 572807809 /nfs/dbraw/zinc/80/78/09/572807809.db2.gz USANKBRMTDAJNI-MNOVXSKESA-N 1 3 196.338 2.131 10 0 AEAEHO CC[C@H](C(C)C)[N@H+]1CC[C@H](N)C[C@@H]1C 49713470 572807850 /nfs/dbraw/zinc/80/78/50/572807850.db2.gz NDYVZGWZKWZPMV-SDDRHHMPSA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)C[C@H](C)[N@@H+]1CC[C@H](N)C[C@@H]1C 49710782 572807906 /nfs/dbraw/zinc/80/79/06/572807906.db2.gz RWYMGWYPVBXIMZ-SRVKXCTJSA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)C[C@H](C)[N@H+]1CC[C@H](N)C[C@@H]1C 49710782 572807910 /nfs/dbraw/zinc/80/79/10/572807910.db2.gz RWYMGWYPVBXIMZ-SRVKXCTJSA-N 1 3 198.354 2.233 10 0 AEAEHO CN(CCC[NH3+])CCC1=CCCCC1 49811665 572814297 /nfs/dbraw/zinc/81/42/97/572814297.db2.gz CPPPIUZCRXHPEJ-UHFFFAOYSA-N 1 3 196.338 2.158 10 0 AEAEHO C[N@H+](CCCN)CCC1=CCCCC1 49811665 572814298 /nfs/dbraw/zinc/81/42/98/572814298.db2.gz CPPPIUZCRXHPEJ-UHFFFAOYSA-N 1 3 196.338 2.158 10 0 AEAEHO C[N@@H+](CCCN)CCC1=CCCCC1 49811665 572814301 /nfs/dbraw/zinc/81/43/01/572814301.db2.gz CPPPIUZCRXHPEJ-UHFFFAOYSA-N 1 3 196.338 2.158 10 0 AEAEHO CC[NH2+][C@@H](CC)CCN(CC)CC 85795780 572816006 /nfs/dbraw/zinc/81/60/06/572816006.db2.gz XMRIZQYZYAUBOP-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCN(CC)CC[C@@H]([NH3+])CC(C)C 85795052 572816572 /nfs/dbraw/zinc/81/65/72/572816572.db2.gz FCENOTKWLXUGRD-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[C@@H]([NH3+])CCN(CC)CC 85795020 572816671 /nfs/dbraw/zinc/81/66/71/572816671.db2.gz TULULQQVEIILIG-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCN(CC)CC[C@@H](CC1CC1)[NH2+]C 85795648 572816829 /nfs/dbraw/zinc/81/68/29/572816829.db2.gz QYKJFYGYOGFCBV-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+][C@H](CC)CCN(CC)CC 85795783 572817348 /nfs/dbraw/zinc/81/73/48/572817348.db2.gz XMRIZQYZYAUBOP-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCN(CC)CC[C@@H]([NH3+])C1CCCC1 85795371 572817371 /nfs/dbraw/zinc/81/73/71/572817371.db2.gz HETLUQVGINYNKD-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH2+][C@@H](CCN(CC)CC)C1CC1 85795884 572817449 /nfs/dbraw/zinc/81/74/49/572817449.db2.gz PFMYWFNHEHHFHS-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN(CC)CC[C@@H]([NH3+])CCC1CC1 85795339 572817606 /nfs/dbraw/zinc/81/76/06/572817606.db2.gz XFQWKNPZRPPEHS-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCN(CC)CC[C@H]([NH3+])CCC1CC1 85795336 572817622 /nfs/dbraw/zinc/81/76/22/572817622.db2.gz XFQWKNPZRPPEHS-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCN(CC)CC[C@@H]([NH3+])CC1CCC1 85795466 572817649 /nfs/dbraw/zinc/81/76/49/572817649.db2.gz ZORQTVVONPVQIU-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH2+][C@H](CCN(CC)CC)C1CC1 85795887 572818170 /nfs/dbraw/zinc/81/81/70/572818170.db2.gz PFMYWFNHEHHFHS-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN(CC)CC[C@H](CC1CC1)[NH2+]C 85795651 572819145 /nfs/dbraw/zinc/81/91/45/572819145.db2.gz QYKJFYGYOGFCBV-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](CCN(CC)CC)[NH2+]C 85795563 572819153 /nfs/dbraw/zinc/81/91/53/572819153.db2.gz SVUMZFVXUXBCDH-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[C@@H](CCN(CC)CC)[NH2+]C 85795562 572819232 /nfs/dbraw/zinc/81/92/32/572819232.db2.gz SVUMZFVXUXBCDH-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCN(CC)CC[C@H]([NH3+])CC(C)C 85795050 572819272 /nfs/dbraw/zinc/81/92/72/572819272.db2.gz FCENOTKWLXUGRD-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[C@H]([NH3+])CCN(CC)CC 85795018 572819330 /nfs/dbraw/zinc/81/93/30/572819330.db2.gz TULULQQVEIILIG-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CC(C)CC[C@@H]1CCC[N@H+](C)C[C@@H]1N 75124780 572826244 /nfs/dbraw/zinc/82/62/44/572826244.db2.gz GLJBZCPNLOTCOK-RYUDHWBXSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[C@@H]1CCC[N@@H+](C)C[C@@H]1N 75124780 572826247 /nfs/dbraw/zinc/82/62/47/572826247.db2.gz GLJBZCPNLOTCOK-RYUDHWBXSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]1CCCC[N@@H+]1[C@@H]1CCC[C@H](N)C1 71507425 572839233 /nfs/dbraw/zinc/83/92/33/572839233.db2.gz MYZYANABZHAHRL-GRYCIOLGSA-N 1 3 196.338 2.131 10 0 AEAEHO C[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@H](N)C1 71507425 572839238 /nfs/dbraw/zinc/83/92/38/572839238.db2.gz MYZYANABZHAHRL-GRYCIOLGSA-N 1 3 196.338 2.131 10 0 AEAEHO CC[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](N)C1 71507429 572840482 /nfs/dbraw/zinc/84/04/82/572840482.db2.gz NQZBVEAQRSXTIY-QJPTWQEYSA-N 1 3 196.338 2.131 10 0 AEAEHO CC[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H](N)C1 71507429 572840485 /nfs/dbraw/zinc/84/04/85/572840485.db2.gz NQZBVEAQRSXTIY-QJPTWQEYSA-N 1 3 196.338 2.131 10 0 AEAEHO CCN(CC)CC[C@@H]([NH3+])C=C(C)C 86059087 572848208 /nfs/dbraw/zinc/84/82/08/572848208.db2.gz WRMRFEXTINEXRZ-LLVKDONJSA-N 1 3 184.327 2.012 10 0 AEAEHO C[NH2+]C(C)(C)CN[C@H](C)CC(C)C 308145125 572848531 /nfs/dbraw/zinc/84/85/31/572848531.db2.gz XMQDXVPMOOYIPU-SNVBAGLBSA-N 1 3 186.343 2.009 10 0 AEAEHO CCN(CC)CC[C@H](C=C(C)C)[NH2+]C 86059094 572848921 /nfs/dbraw/zinc/84/89/21/572848921.db2.gz BBBZRLPVQAYRPL-GFCCVEGCSA-N 1 3 198.354 2.273 10 0 AEAEHO C[NH2+]C(C)(C)CN[C@@H](C)CC(C)C 308145124 572851296 /nfs/dbraw/zinc/85/12/96/572851296.db2.gz XMQDXVPMOOYIPU-JTQLQIEISA-N 1 3 186.343 2.009 10 0 AEAEHO CC(C)C[C@@H]1[C@H]([NH3+])C[C@H](C)N(C)[C@@H]1C 257584227 572852458 /nfs/dbraw/zinc/85/24/58/572852458.db2.gz DQMAZGMMKLBCRH-WHOHXGKFSA-N 1 3 198.354 2.089 10 0 AEAEHO CC(C)C[C@@H]1[C@H](N)C[C@H](C)[N@H+](C)[C@@H]1C 257584227 572852462 /nfs/dbraw/zinc/85/24/62/572852462.db2.gz DQMAZGMMKLBCRH-WHOHXGKFSA-N 1 3 198.354 2.089 10 0 AEAEHO CC(C)C[C@@H]1[C@H](N)C[C@H](C)[N@@H+](C)[C@@H]1C 257584227 572852469 /nfs/dbraw/zinc/85/24/69/572852469.db2.gz DQMAZGMMKLBCRH-WHOHXGKFSA-N 1 3 198.354 2.089 10 0 AEAEHO CC(C)C[C@@H]1[C@H]([NH3+])C[C@@H](C)N(C)[C@@H]1C 257584231 572854071 /nfs/dbraw/zinc/85/40/71/572854071.db2.gz DQMAZGMMKLBCRH-WISYIIOYSA-N 1 3 198.354 2.089 10 0 AEAEHO CC(C)C[C@@H]1[C@H](N)C[C@@H](C)[N@H+](C)[C@@H]1C 257584231 572854072 /nfs/dbraw/zinc/85/40/72/572854072.db2.gz DQMAZGMMKLBCRH-WISYIIOYSA-N 1 3 198.354 2.089 10 0 AEAEHO CC(C)C[C@@H]1[C@H](N)C[C@@H](C)[N@@H+](C)[C@@H]1C 257584231 572854074 /nfs/dbraw/zinc/85/40/74/572854074.db2.gz DQMAZGMMKLBCRH-WISYIIOYSA-N 1 3 198.354 2.089 10 0 AEAEHO CC(C)C[C@H]1[C@H](C)N(C)[C@@H](C)C[C@H]1[NH3+] 257584220 572854238 /nfs/dbraw/zinc/85/42/38/572854238.db2.gz DQMAZGMMKLBCRH-FIQHERPVSA-N 1 3 198.354 2.089 10 0 AEAEHO CC(C)C[C@H]1[C@H](C)[N@@H+](C)[C@@H](C)C[C@H]1N 257584220 572854239 /nfs/dbraw/zinc/85/42/39/572854239.db2.gz DQMAZGMMKLBCRH-FIQHERPVSA-N 1 3 198.354 2.089 10 0 AEAEHO CC(C)C[C@H]1[C@H](C)[N@H+](C)[C@@H](C)C[C@H]1N 257584220 572854243 /nfs/dbraw/zinc/85/42/43/572854243.db2.gz DQMAZGMMKLBCRH-FIQHERPVSA-N 1 3 198.354 2.089 10 0 AEAEHO CC(C)C[C@H]1[C@H](C)N(C)[C@H](C)C[C@H]1[NH3+] 257584223 572854436 /nfs/dbraw/zinc/85/44/36/572854436.db2.gz DQMAZGMMKLBCRH-NOOOWODRSA-N 1 3 198.354 2.089 10 0 AEAEHO CC(C)C[C@H]1[C@H](C)[N@@H+](C)[C@H](C)C[C@H]1N 257584223 572854440 /nfs/dbraw/zinc/85/44/40/572854440.db2.gz DQMAZGMMKLBCRH-NOOOWODRSA-N 1 3 198.354 2.089 10 0 AEAEHO CC(C)C[C@H]1[C@H](C)[N@H+](C)[C@H](C)C[C@H]1N 257584223 572854445 /nfs/dbraw/zinc/85/44/45/572854445.db2.gz DQMAZGMMKLBCRH-NOOOWODRSA-N 1 3 198.354 2.089 10 0 AEAEHO CCCC[C@@H]([NH3+])CN1C[C@@H](C)[C@@H](C)C1 86015647 572855219 /nfs/dbraw/zinc/85/52/19/572855219.db2.gz SSRWJOPZCDQIQB-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCC[C@H]([NH3+])CN1C[C@@H](C)[C@H](C)C1 86015650 572855806 /nfs/dbraw/zinc/85/58/06/572855806.db2.gz SSRWJOPZCDQIQB-UTUOFQBUSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCC[C@H]([NH3+])CN1C[C@@H](C)[C@@H](C)C1 86015644 572857130 /nfs/dbraw/zinc/85/71/30/572857130.db2.gz SSRWJOPZCDQIQB-TUAOUCFPSA-N 1 3 198.354 2.092 10 0 AEAEHO CNC[C@@H](C)C[NH2+]CC1(C)CCCC1 86070729 572864555 /nfs/dbraw/zinc/86/45/55/572864555.db2.gz DNYZEINSCDJAMU-LLVKDONJSA-N 1 3 198.354 2.012 10 0 AEAEHO CNC[C@H](C)C[NH2+]C1(C)CCCCC1 86070627 572864966 /nfs/dbraw/zinc/86/49/66/572864966.db2.gz GVSQMWVHYAAZEB-NSHDSACASA-N 1 3 198.354 2.154 10 0 AEAEHO CNC[C@@H](C)C[NH2+]C1(C)CCCCC1 86070628 572866014 /nfs/dbraw/zinc/86/60/14/572866014.db2.gz GVSQMWVHYAAZEB-LLVKDONJSA-N 1 3 198.354 2.154 10 0 AEAEHO CNC[C@H](C)C[NH2+]CC1(C)CCCC1 86070726 572866385 /nfs/dbraw/zinc/86/63/85/572866385.db2.gz DNYZEINSCDJAMU-NSHDSACASA-N 1 3 198.354 2.012 10 0 AEAEHO CCCC(CCC)[N@@H+]1CC[C@H](CN)C1 50245412 572870816 /nfs/dbraw/zinc/87/08/16/572870816.db2.gz XDWMEQUKUNUZMO-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC(CCC)[N@H+]1CC[C@H](CN)C1 50245412 572870823 /nfs/dbraw/zinc/87/08/23/572870823.db2.gz XDWMEQUKUNUZMO-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(C)(C)[C@@H]1CC[C@@H](CN)[C@H]([NH3+])C1 50285719 572872759 /nfs/dbraw/zinc/87/27/59/572872759.db2.gz BVHHILFVHFRKRB-HBNTYKKESA-N 1 3 198.354 2.125 10 0 AEAEHO C[C@H](N)CC(C)(C)[NH2+]C1CCCCC1 75600943 572882847 /nfs/dbraw/zinc/88/28/47/572882847.db2.gz ZKRSEUBKYMIMQG-JTQLQIEISA-N 1 3 198.354 2.425 10 0 AEAEHO C[C@@H](N)CC(C)(C)[NH2+]C1CCCCC1 75600945 572884146 /nfs/dbraw/zinc/88/41/46/572884146.db2.gz ZKRSEUBKYMIMQG-SNVBAGLBSA-N 1 3 198.354 2.425 10 0 AEAEHO CCC[NH+](CCC)[C@H]1CCN[C@@H](C)C1 229540630 572886016 /nfs/dbraw/zinc/88/60/16/572886016.db2.gz WUWDHUFCZPIQCS-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)([NH3+])CCNC1C(C)(C)C1(C)C 86241185 572898084 /nfs/dbraw/zinc/89/80/84/572898084.db2.gz GARYSMDKWAYFSX-UHFFFAOYSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[NH2+]CCCNC1C(C)(C)C1(C)C 86241114 572898644 /nfs/dbraw/zinc/89/86/44/572898644.db2.gz CFZSQVIKEZBZQO-UHFFFAOYSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[C@H]([NH3+])CNC1C(C)(C)C1(C)C 86241212 572898928 /nfs/dbraw/zinc/89/89/28/572898928.db2.gz AUAYQJXFLAZLKF-VIFPVBQESA-N 1 3 198.354 2.138 10 0 AEAEHO CCC[C@@H]([NH3+])CNC1C(C)(C)C1(C)C 86241213 572899789 /nfs/dbraw/zinc/89/97/89/572899789.db2.gz AUAYQJXFLAZLKF-SECBINFHSA-N 1 3 198.354 2.138 10 0 AEAEHO CCC(C)(C)N(C)C[C@H]1CC[NH2+][C@@H]1C 86273209 572902510 /nfs/dbraw/zinc/90/25/10/572902510.db2.gz JMHWNRJUIPFLTP-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCN(C[C@H]1CC[NH2+][C@@H]1C)C(C)C 86272574 572902916 /nfs/dbraw/zinc/90/29/16/572902916.db2.gz JOJFPJQXCGXPDO-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)N(C)C[C@@H]1CC[NH2+][C@@H]1C 86272643 572902962 /nfs/dbraw/zinc/90/29/62/572902962.db2.gz ONLDWQVHHWAOKG-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCCN(CCC)C[C@@H]1CC[NH2+][C@@H]1C 86272483 572902991 /nfs/dbraw/zinc/90/29/91/572902991.db2.gz IDKFXUYNQMVJJF-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCN(C[C@@H]1CC[NH2+][C@@H]1C)C(C)C 86272573 572903028 /nfs/dbraw/zinc/90/30/28/572903028.db2.gz JOJFPJQXCGXPDO-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCN(CCC)C[C@H]1CC[NH2+][C@@H]1C 86272484 572903357 /nfs/dbraw/zinc/90/33/57/572903357.db2.gz IDKFXUYNQMVJJF-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCN(CCC)C[C@H]1CC[NH2+][C@H]1C 86272486 572903475 /nfs/dbraw/zinc/90/34/75/572903475.db2.gz IDKFXUYNQMVJJF-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)N(CC)C[C@@H]1CC[NH2+][C@@H]1C 86272588 572903486 /nfs/dbraw/zinc/90/34/86/572903486.db2.gz QAXUVEIFBMOYLT-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)N(C)C[C@H]1CC[NH2+][C@@H]1C 86272644 572903500 /nfs/dbraw/zinc/90/35/00/572903500.db2.gz ONLDWQVHHWAOKG-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCN(CC)C[C@H]1CC[NH2+][C@@H]1C 86272494 572904238 /nfs/dbraw/zinc/90/42/38/572904238.db2.gz MOROXYOGEBLILE-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](C)N(C)C[C@@H]1CC[NH2+][C@@H]1C 86272646 572904632 /nfs/dbraw/zinc/90/46/32/572904632.db2.gz JTKDFWCOQGHIBT-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCN(CCC)C[C@@H]1CC[NH2+][C@H]1C 86272485 572904764 /nfs/dbraw/zinc/90/47/64/572904764.db2.gz IDKFXUYNQMVJJF-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCN(CC)C[C@@H]1CC[NH2+][C@@H]1C 86272493 572904910 /nfs/dbraw/zinc/90/49/10/572904910.db2.gz MOROXYOGEBLILE-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(C)(C)N(C)C[C@@H]1CC[NH2+][C@@H]1C 86273208 572905233 /nfs/dbraw/zinc/90/52/33/572905233.db2.gz JMHWNRJUIPFLTP-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCCC[NH2+]CCC(C)(C)N 308183645 572906214 /nfs/dbraw/zinc/90/62/14/572906214.db2.gz DULBOYVWTLQYEG-UHFFFAOYSA-N 1 3 186.343 2.284 10 0 AEAEHO CC[C@@H]1CCC[N@@H+]1[C@@H](C)[C@@H](C)CNC 86310964 572910020 /nfs/dbraw/zinc/91/00/20/572910020.db2.gz YOCOHFFDPDJQLZ-SDDRHHMPSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC1CC[NH+]([C@@H](C)[C@H](C)CN)CC1 86310876 572908745 /nfs/dbraw/zinc/90/87/45/572908745.db2.gz QBSWUGIWFXOWSV-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CC[NH+](CC)[C@@H](C)[C@@H](C)CNC1CC1 86311094 572908753 /nfs/dbraw/zinc/90/87/53/572908753.db2.gz FBFHYWBPFXFXHA-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+]C[C@@H](C)[C@@H](C)N1CCCC1 86311026 572908759 /nfs/dbraw/zinc/90/87/59/572908759.db2.gz NNMVUIAEEHLSLO-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH+](CCC)[C@H](C)[C@H](C)CN 86311203 572908804 /nfs/dbraw/zinc/90/88/04/572908804.db2.gz DBRSQORIPHLDHR-GHMZBOCLSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[NH+](CCC)[C@@H](C)[C@H](C)CN 86311202 572910553 /nfs/dbraw/zinc/91/05/53/572910553.db2.gz DBRSQORIPHLDHR-MNOVXSKESA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[NH2+]C[C@@H](C)[C@H](C)N1CCCC1 86311028 572909213 /nfs/dbraw/zinc/90/92/13/572909213.db2.gz NNMVUIAEEHLSLO-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH+](CC)[C@H](C)[C@@H](C)CNC1CC1 86311095 572909411 /nfs/dbraw/zinc/90/94/11/572909411.db2.gz FBFHYWBPFXFXHA-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+]C[C@H](C)[C@@H](C)N1CCCC1 86311027 572909496 /nfs/dbraw/zinc/90/94/96/572909496.db2.gz NNMVUIAEEHLSLO-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)[N@H+](CC1CC1)[C@H](C)[C@@H](C)CN 86310847 572909699 /nfs/dbraw/zinc/90/96/99/572909699.db2.gz JCJKVIBHXOKWHN-WDEREUQCSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[N@@H+](CC1CC1)[C@H](C)[C@@H](C)CN 86310847 572909702 /nfs/dbraw/zinc/90/97/02/572909702.db2.gz JCJKVIBHXOKWHN-WDEREUQCSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[NH2+]C[C@@H](C)[C@@H](C)N1CCCC1 86311038 572909964 /nfs/dbraw/zinc/90/99/64/572909964.db2.gz OIYQBCGDPSYSLY-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[N@H+](CC1CC1)[C@@H](C)[C@@H](C)CN 86310846 572909985 /nfs/dbraw/zinc/90/99/85/572909985.db2.gz JCJKVIBHXOKWHN-QWRGUYRKSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[N@@H+](CC1CC1)[C@@H](C)[C@@H](C)CN 86310846 572909989 /nfs/dbraw/zinc/90/99/89/572909989.db2.gz JCJKVIBHXOKWHN-QWRGUYRKSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@@H]1CCC[N@H+]1[C@@H](C)[C@@H](C)CNC 86310964 572910024 /nfs/dbraw/zinc/91/00/24/572910024.db2.gz YOCOHFFDPDJQLZ-SDDRHHMPSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@@H](C)[C@H](C)[NH+]1CCCCCC1 86311155 572910031 /nfs/dbraw/zinc/91/00/31/572910031.db2.gz ZDRATLGFNOICTR-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CNC[C@@H](C)[C@@H](C)[NH+]1CCCCCC1 86311153 572910846 /nfs/dbraw/zinc/91/08/46/572910846.db2.gz ZDRATLGFNOICTR-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH2+][C@@H]1CCN(CC)[C@H](C)[C@@H]1C 86303174 572910223 /nfs/dbraw/zinc/91/02/23/572910223.db2.gz RIFJSBLIWFYYNO-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+]C[C@H](C)[C@H](C)N1CCCC1 86311029 572910267 /nfs/dbraw/zinc/91/02/67/572910267.db2.gz NNMVUIAEEHLSLO-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)[NH2+]C[C@H](C)[C@H](C)N1CCCC1 86311041 572910318 /nfs/dbraw/zinc/91/03/18/572910318.db2.gz OIYQBCGDPSYSLY-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@H](C)[C@H](C)[NH+]1CCCCCC1 86311154 572910356 /nfs/dbraw/zinc/91/03/56/572910356.db2.gz ZDRATLGFNOICTR-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CNC[C@H](C)[C@@H](C)[NH+]1CCCCCC1 86311152 572910394 /nfs/dbraw/zinc/91/03/94/572910394.db2.gz ZDRATLGFNOICTR-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC1CC[NH+]([C@H](C)[C@H](C)CN)CC1 86310877 572910438 /nfs/dbraw/zinc/91/04/38/572910438.db2.gz QBSWUGIWFXOWSV-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[NH2+]C[C@@H](C)[C@H](C)N1CCCC1 86311040 572910462 /nfs/dbraw/zinc/91/04/62/572910462.db2.gz OIYQBCGDPSYSLY-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH+](CCC)[C@H](C)[C@@H](C)CN 86311201 572910613 /nfs/dbraw/zinc/91/06/13/572910613.db2.gz DBRSQORIPHLDHR-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[NH+](CC)[C@H](C)[C@H](C)CNC1CC1 86311097 572910879 /nfs/dbraw/zinc/91/08/79/572910879.db2.gz FBFHYWBPFXFXHA-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCN1CC[C@H]([NH2+]C)[C@H](C)[C@@H]1C 86302956 572910901 /nfs/dbraw/zinc/91/09/01/572910901.db2.gz RQNXFLPYXTZTHO-WOPDTQHZSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCC[N@@H+]1CC[C@H](NC)[C@H](C)[C@@H]1C 86302956 572910904 /nfs/dbraw/zinc/91/09/04/572910904.db2.gz RQNXFLPYXTZTHO-WOPDTQHZSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCC[N@H+]1CC[C@H](NC)[C@H](C)[C@@H]1C 86302956 572910905 /nfs/dbraw/zinc/91/09/05/572910905.db2.gz RQNXFLPYXTZTHO-WOPDTQHZSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCN1CC[C@H]([NH2+]CC)[C@H](C)[C@@H]1C 86303269 572911030 /nfs/dbraw/zinc/91/10/30/572911030.db2.gz BIQHPZHVZQCHFM-WOPDTQHZSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[NH2+]C[C@H](C)[C@@H](C)N1CCCC1 86311039 572911064 /nfs/dbraw/zinc/91/10/64/572911064.db2.gz OIYQBCGDPSYSLY-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH+](CCC)[C@@H](C)[C@@H](C)CN 86311200 572911121 /nfs/dbraw/zinc/91/11/21/572911121.db2.gz DBRSQORIPHLDHR-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CNC[C@H](C)[C@H](C)[N@@H+]1CCCC[C@H]1C 86311102 572911177 /nfs/dbraw/zinc/91/11/77/572911177.db2.gz JWGVKOGKOPYTLN-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@H](C)[C@H](C)[N@H+]1CCCC[C@H]1C 86311102 572911181 /nfs/dbraw/zinc/91/11/81/572911181.db2.gz JWGVKOGKOPYTLN-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC1CC[NH+]([C@H](C)[C@@H](C)CN)CC1 86310875 572911241 /nfs/dbraw/zinc/91/12/41/572911241.db2.gz QBSWUGIWFXOWSV-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[NH+](CC)[C@@H](C)[C@H](C)CNC1CC1 86311096 572911277 /nfs/dbraw/zinc/91/12/77/572911277.db2.gz FBFHYWBPFXFXHA-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCCC[N@H+](C1CC1)[C@H]1CC[C@@H](N)C1 223142743 572911346 /nfs/dbraw/zinc/91/13/46/572911346.db2.gz TZBUXJTUNWQECQ-PWSUYJOCSA-N 1 3 196.338 2.131 10 0 AEAEHO CCCC[N@@H+](C1CC1)[C@H]1CC[C@@H](N)C1 223142743 572911349 /nfs/dbraw/zinc/91/13/49/572911349.db2.gz TZBUXJTUNWQECQ-PWSUYJOCSA-N 1 3 196.338 2.131 10 0 AEAEHO CCCCN(C1CC1)[C@H]1CC[C@@H]([NH3+])C1 223142743 572911350 /nfs/dbraw/zinc/91/13/50/572911350.db2.gz TZBUXJTUNWQECQ-PWSUYJOCSA-N 1 3 196.338 2.131 10 0 AEAEHO CCCCC[N@@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303005 572911410 /nfs/dbraw/zinc/91/14/10/572911410.db2.gz YCOIZVXOBSDOPZ-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCCC[N@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303005 572911413 /nfs/dbraw/zinc/91/14/13/572911413.db2.gz YCOIZVXOBSDOPZ-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCCCN1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 86303005 572911416 /nfs/dbraw/zinc/91/14/16/572911416.db2.gz YCOIZVXOBSDOPZ-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CNC[C@H](C)[C@H](C)[N@@H+]1CCCC[C@@H]1C 86311103 572911433 /nfs/dbraw/zinc/91/14/33/572911433.db2.gz JWGVKOGKOPYTLN-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@H](C)[C@H](C)[N@H+]1CCCC[C@@H]1C 86311103 572911436 /nfs/dbraw/zinc/91/14/36/572911436.db2.gz JWGVKOGKOPYTLN-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC1CC[NH+]([C@@H](C)[C@@H](C)CN)CC1 86310874 572911506 /nfs/dbraw/zinc/91/15/06/572911506.db2.gz QBSWUGIWFXOWSV-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](CN)[C@@H](C)[N@H+](C)CC1CCCC1 86312564 572911787 /nfs/dbraw/zinc/91/17/87/572911787.db2.gz DGAUHPPPLWVQOE-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](CN)[C@@H](C)[N@@H+](C)CC1CCCC1 86312564 572911791 /nfs/dbraw/zinc/91/17/91/572911791.db2.gz DGAUHPPPLWVQOE-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[NH2+]C[C@H](C)[C@@H](C)N(C)C1CC1 86311477 572911808 /nfs/dbraw/zinc/91/18/08/572911808.db2.gz OPCYLOHLMQESCD-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[NH2+]C[C@@H](C)[C@H](C)N(C)C1CC1 86311490 572911947 /nfs/dbraw/zinc/91/19/47/572911947.db2.gz BUXURYRMORSYBW-MNOVXSKESA-N 1 3 198.354 2.103 10 0 AEAEHO CNC[C@H](C)[C@H](C)[N@H+](C)C1CCCC1 86311462 572911979 /nfs/dbraw/zinc/91/19/79/572911979.db2.gz ZCMVXFYHWXLYIA-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@H](C)[C@H](C)[N@@H+](C)C1CCCC1 86311462 572911981 /nfs/dbraw/zinc/91/19/81/572911981.db2.gz ZCMVXFYHWXLYIA-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@H+](CC(C)C)[C@@H](C)CCN 308185571 572912029 /nfs/dbraw/zinc/91/20/29/572912029.db2.gz FINCEXARKNFKOI-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[N@@H+](CC(C)C)[C@@H](C)CCN 308185571 572912030 /nfs/dbraw/zinc/91/20/30/572912030.db2.gz FINCEXARKNFKOI-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H]1CCC[N@@H+]([C@@H](C)[C@@H](C)CN)C1 86311794 572912046 /nfs/dbraw/zinc/91/20/46/572912046.db2.gz ASRTWLIAJWYHAS-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H]1CCC[N@H+]([C@@H](C)[C@@H](C)CN)C1 86311794 572912047 /nfs/dbraw/zinc/91/20/47/572912047.db2.gz ASRTWLIAJWYHAS-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCC[N@H+](C1CC1)[C@@H]1CC[C@@H](N)C1 223142681 572912053 /nfs/dbraw/zinc/91/20/53/572912053.db2.gz TZBUXJTUNWQECQ-ZYHUDNBSSA-N 1 3 196.338 2.131 10 0 AEAEHO CCCC[N@@H+](C1CC1)[C@@H]1CC[C@@H](N)C1 223142681 572912056 /nfs/dbraw/zinc/91/20/56/572912056.db2.gz TZBUXJTUNWQECQ-ZYHUDNBSSA-N 1 3 196.338 2.131 10 0 AEAEHO CCCCN(C1CC1)[C@@H]1CC[C@@H]([NH3+])C1 223142681 572912058 /nfs/dbraw/zinc/91/20/58/572912058.db2.gz TZBUXJTUNWQECQ-ZYHUDNBSSA-N 1 3 196.338 2.131 10 0 AEAEHO C[C@H](CN)[C@@H](C)[N@H+](C)C1CCCCC1 86311247 572912084 /nfs/dbraw/zinc/91/20/84/572912084.db2.gz WMSZVEGQNXZTJG-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](CN)[C@@H](C)[N@@H+](C)C1CCCCC1 86311247 572912086 /nfs/dbraw/zinc/91/20/86/572912086.db2.gz WMSZVEGQNXZTJG-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CNC[C@@H](C)[C@@H](C)[N@H+](C)C1CCCC1 86311461 572912184 /nfs/dbraw/zinc/91/21/84/572912184.db2.gz ZCMVXFYHWXLYIA-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@@H](C)[C@@H](C)[N@@H+](C)C1CCCC1 86311461 572912186 /nfs/dbraw/zinc/91/21/86/572912186.db2.gz ZCMVXFYHWXLYIA-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@@H+](C1CC1)[C@@H](C)[C@@H](C)CNC 86311550 572912207 /nfs/dbraw/zinc/91/22/07/572912207.db2.gz ZMUOGGVCSMSBGJ-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@H+](C1CC1)[C@@H](C)[C@@H](C)CNC 86311550 572912209 /nfs/dbraw/zinc/91/22/09/572912209.db2.gz ZMUOGGVCSMSBGJ-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+]C[C@@H](C)[C@H](C)N(C)C1CC1 86311478 572912282 /nfs/dbraw/zinc/91/22/82/572912282.db2.gz OPCYLOHLMQESCD-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@H](C)[C@@H](C)[N@@H+]1CCCC1(C)C 86312510 572912292 /nfs/dbraw/zinc/91/22/92/572912292.db2.gz JTJXSPALEGJXRC-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@H](C)[C@@H](C)[N@H+]1CCCC1(C)C 86312510 572912295 /nfs/dbraw/zinc/91/22/95/572912295.db2.gz JTJXSPALEGJXRC-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@H](C)[C@@H](C)[N@H+](C)C1CCCC1 86311460 572912324 /nfs/dbraw/zinc/91/23/24/572912324.db2.gz ZCMVXFYHWXLYIA-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@H](C)[C@@H](C)[N@@H+](C)C1CCCC1 86311460 572912327 /nfs/dbraw/zinc/91/23/27/572912327.db2.gz ZCMVXFYHWXLYIA-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCC[N@H+](CC)[C@H](C)[C@@H](C)CN 86311235 572912518 /nfs/dbraw/zinc/91/25/18/572912518.db2.gz AOLXFOSLWVUCNW-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[N@H+](CC1CC1)[C@@H](C)[C@@H](C)CN 86312076 572912408 /nfs/dbraw/zinc/91/24/08/572912408.db2.gz VOHFBCNTBBKSLE-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[N@@H+](CC1CC1)[C@@H](C)[C@@H](C)CN 86312076 572912411 /nfs/dbraw/zinc/91/24/11/572912411.db2.gz VOHFBCNTBBKSLE-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCC[N@@H+](CC)[C@H](C)[C@@H](C)CN 86311235 572912520 /nfs/dbraw/zinc/91/25/20/572912520.db2.gz AOLXFOSLWVUCNW-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[N@H+](CC(C)C)[C@H](C)CCN 308185570 572912445 /nfs/dbraw/zinc/91/24/45/572912445.db2.gz FINCEXARKNFKOI-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[N@@H+](CC(C)C)[C@H](C)CCN 308185570 572912448 /nfs/dbraw/zinc/91/24/48/572912448.db2.gz FINCEXARKNFKOI-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[N@H+](CC)[C@@H](C)[C@@H](C)CN 86311234 572913033 /nfs/dbraw/zinc/91/30/33/572913033.db2.gz AOLXFOSLWVUCNW-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[NH2+]C[C@@H](C)[C@@H](C)N(C)C1CC1 86311476 572913497 /nfs/dbraw/zinc/91/34/97/572913497.db2.gz OPCYLOHLMQESCD-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)[N@H+](C)[C@H](C)[C@@H](C)CN 86311741 572912544 /nfs/dbraw/zinc/91/25/44/572912544.db2.gz SQEKPQPFWFZURL-VHSXEESVSA-N 1 3 186.343 2.090 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@H](C)[C@@H](C)CN 86311741 572912546 /nfs/dbraw/zinc/91/25/46/572912546.db2.gz SQEKPQPFWFZURL-VHSXEESVSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[N@@H+](C1CCCC1)[C@@H](C)[C@@H](C)CN 86311702 572912664 /nfs/dbraw/zinc/91/26/64/572912664.db2.gz HXJGAPSQGFHNIA-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[N@H+](C1CCCC1)[C@@H](C)[C@@H](C)CN 86311702 572912665 /nfs/dbraw/zinc/91/26/65/572912665.db2.gz HXJGAPSQGFHNIA-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@H+](CC)[C@@H](C)[C@@H](C)CN 86311591 572912715 /nfs/dbraw/zinc/91/27/15/572912715.db2.gz GWRQCTIQUXYAGJ-DCAQKATOSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)[C@@H](C)[C@@H](C)CN 86311591 572912717 /nfs/dbraw/zinc/91/27/17/572912717.db2.gz GWRQCTIQUXYAGJ-DCAQKATOSA-N 1 3 186.343 2.090 10 0 AEAEHO C[C@@H](CN)[C@H](C)[N@H+](C)C1CCCCC1 86311248 572912814 /nfs/dbraw/zinc/91/28/14/572912814.db2.gz WMSZVEGQNXZTJG-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](CN)[C@H](C)[N@@H+](C)C1CCCCC1 86311248 572912816 /nfs/dbraw/zinc/91/28/16/572912816.db2.gz WMSZVEGQNXZTJG-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@H+](C)[C@@H](C)[C@@H](C)CNC1CC1 86311264 572912901 /nfs/dbraw/zinc/91/29/01/572912901.db2.gz JTNGUZQEQDSZEO-QWRGUYRKSA-N 1 3 198.354 2.103 10 0 AEAEHO CC(C)[N@@H+](C)[C@@H](C)[C@@H](C)CNC1CC1 86311264 572912904 /nfs/dbraw/zinc/91/29/04/572912904.db2.gz JTNGUZQEQDSZEO-QWRGUYRKSA-N 1 3 198.354 2.103 10 0 AEAEHO CCC[N@H+](C)[C@H](C)[C@@H](C)CNC1CC1 86311455 572912931 /nfs/dbraw/zinc/91/29/31/572912931.db2.gz UPRLAIJBVDCLNK-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@@H+](C)[C@H](C)[C@@H](C)CNC1CC1 86311455 572912935 /nfs/dbraw/zinc/91/29/35/572912935.db2.gz UPRLAIJBVDCLNK-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCC[N@@H+](CC)[C@@H](C)[C@@H](C)CN 86311234 572913036 /nfs/dbraw/zinc/91/30/36/572913036.db2.gz AOLXFOSLWVUCNW-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CNC[C@@H](C)[C@@H](C)[N@@H+]1CCCC1(C)C 86312511 572913077 /nfs/dbraw/zinc/91/30/77/572913077.db2.gz JTJXSPALEGJXRC-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@@H](C)[C@@H](C)[N@H+]1CCCC1(C)C 86312511 572913079 /nfs/dbraw/zinc/91/30/79/572913079.db2.gz JTJXSPALEGJXRC-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[N@H+](C)[C@H](C)[C@@H](C)CNC1CC1 86311265 572913484 /nfs/dbraw/zinc/91/34/84/572913484.db2.gz JTNGUZQEQDSZEO-WDEREUQCSA-N 1 3 198.354 2.103 10 0 AEAEHO C[C@@H](CN)[C@H](C)[N@H+](C)CC1CCCC1 86312566 572913210 /nfs/dbraw/zinc/91/32/10/572913210.db2.gz DGAUHPPPLWVQOE-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](CN)[C@H](C)[N@@H+](C)CC1CCCC1 86312566 572913211 /nfs/dbraw/zinc/91/32/11/572913211.db2.gz DGAUHPPPLWVQOE-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(C)[N@H+](C)[C@@H](C)[C@@H](C)CN 86312660 572913217 /nfs/dbraw/zinc/91/32/17/572913217.db2.gz SHLLYQFHLQTLCX-UWVGGRQHSA-N 1 3 186.343 2.090 10 0 AEAEHO CCC(C)(C)[N@@H+](C)[C@@H](C)[C@@H](C)CN 86312660 572913219 /nfs/dbraw/zinc/91/32/19/572913219.db2.gz SHLLYQFHLQTLCX-UWVGGRQHSA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)[N@@H+](C)[C@H](C)[C@@H](C)CNC1CC1 86311265 572913486 /nfs/dbraw/zinc/91/34/86/572913486.db2.gz JTNGUZQEQDSZEO-WDEREUQCSA-N 1 3 198.354 2.103 10 0 AEAEHO CC[N@@H+](C1CCCC1)[C@H](C)[C@@H](C)CN 86311703 572913266 /nfs/dbraw/zinc/91/32/66/572913266.db2.gz HXJGAPSQGFHNIA-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[N@H+](C1CCCC1)[C@H](C)[C@@H](C)CN 86311703 572913269 /nfs/dbraw/zinc/91/32/69/572913269.db2.gz HXJGAPSQGFHNIA-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](CN)[C@@H](C)[N@H+](C)CC1CCCC1 86312565 572913324 /nfs/dbraw/zinc/91/33/24/572913324.db2.gz DGAUHPPPLWVQOE-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H](CN)[C@@H](C)[N@@H+](C)CC1CCCC1 86312565 572913326 /nfs/dbraw/zinc/91/33/26/572913326.db2.gz DGAUHPPPLWVQOE-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[N@@H+](C1CC1)[C@@H](C)[C@@H](C)CN 86312086 572913464 /nfs/dbraw/zinc/91/34/64/572913464.db2.gz BUVIYSOIHMSUND-QWRGUYRKSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[N@H+](C1CC1)[C@@H](C)[C@@H](C)CN 86312086 572913465 /nfs/dbraw/zinc/91/34/65/572913465.db2.gz BUVIYSOIHMSUND-QWRGUYRKSA-N 1 3 198.354 2.090 10 0 AEAEHO CCCC[N@@H+](C1CC1)[C@H](C)[C@@H](C)CN 86312065 572913576 /nfs/dbraw/zinc/91/35/76/572913576.db2.gz RCONKTPTXHZMFI-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCC[N@H+](C1CC1)[C@H](C)[C@@H](C)CN 86312065 572913580 /nfs/dbraw/zinc/91/35/80/572913580.db2.gz RCONKTPTXHZMFI-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@H+](CC1CC1)[C@H](C)[C@@H](C)CN 86312077 572913701 /nfs/dbraw/zinc/91/37/01/572913701.db2.gz VOHFBCNTBBKSLE-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[N@@H+](CC1CC1)[C@H](C)[C@@H](C)CN 86312077 572913705 /nfs/dbraw/zinc/91/37/05/572913705.db2.gz VOHFBCNTBBKSLE-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CNC[C@@H](C)[C@H](C)[N@@H+]1CCCC1(C)C 86312513 572913718 /nfs/dbraw/zinc/91/37/18/572913718.db2.gz JTJXSPALEGJXRC-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@@H](C)[C@H](C)[N@H+]1CCCC1(C)C 86312513 572913724 /nfs/dbraw/zinc/91/37/24/572913724.db2.gz JTJXSPALEGJXRC-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)CC[C@@H]1CCC[N@H+](C)C[C@H]1N 257629188 572913779 /nfs/dbraw/zinc/91/37/79/572913779.db2.gz GLJBZCPNLOTCOK-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[C@@H]1CCC[N@@H+](C)C[C@H]1N 257629188 572913782 /nfs/dbraw/zinc/91/37/82/572913782.db2.gz GLJBZCPNLOTCOK-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[N@H+](C)[C@@H](C)[C@@H](C)CNC1CC1 86311454 572913799 /nfs/dbraw/zinc/91/37/99/572913799.db2.gz UPRLAIJBVDCLNK-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@@H+](C)[C@@H](C)[C@@H](C)CNC1CC1 86311454 572913804 /nfs/dbraw/zinc/91/38/04/572913804.db2.gz UPRLAIJBVDCLNK-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@H](C)[C@H](C)[N@@H+]1CCCC1(C)C 86312512 572913980 /nfs/dbraw/zinc/91/39/80/572913980.db2.gz JTJXSPALEGJXRC-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@H](C)[C@H](C)[N@H+]1CCCC1(C)C 86312512 572913982 /nfs/dbraw/zinc/91/39/82/572913982.db2.gz JTJXSPALEGJXRC-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCC[N@@H+](C1CC1)[C@@H](C)[C@@H](C)CN 86312064 572913882 /nfs/dbraw/zinc/91/38/82/572913882.db2.gz RCONKTPTXHZMFI-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCC[N@H+](C1CC1)[C@@H](C)[C@@H](C)CN 86312064 572913889 /nfs/dbraw/zinc/91/38/89/572913889.db2.gz RCONKTPTXHZMFI-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CNC[C@@H](C)[C@H](C)[N@H+](C)C1CCCC1 86311463 572914265 /nfs/dbraw/zinc/91/42/65/572914265.db2.gz ZCMVXFYHWXLYIA-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@@H](C)[C@H](C)[N@@H+](C)C1CCCC1 86311463 572914268 /nfs/dbraw/zinc/91/42/68/572914268.db2.gz ZCMVXFYHWXLYIA-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[NH2+]C[C@H](C)[C@@H](C)N(C)C1CC1 86311489 572914305 /nfs/dbraw/zinc/91/43/05/572914305.db2.gz BUXURYRMORSYBW-WDEREUQCSA-N 1 3 198.354 2.103 10 0 AEAEHO CC(C)[NH2+]C[C@H](C)[C@H](C)N(C)C1CC1 86311491 572915127 /nfs/dbraw/zinc/91/51/27/572915127.db2.gz BUXURYRMORSYBW-QWRGUYRKSA-N 1 3 198.354 2.103 10 0 AEAEHO CCC[N@H+](C(C)C)[C@@H](C)[C@@H](C)CN 86311578 572914400 /nfs/dbraw/zinc/91/44/00/572914400.db2.gz ZPVRZINPUIPZND-QWRGUYRKSA-N 1 3 186.343 2.090 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@@H](C)[C@@H](C)CN 86311578 572914403 /nfs/dbraw/zinc/91/44/03/572914403.db2.gz ZPVRZINPUIPZND-QWRGUYRKSA-N 1 3 186.343 2.090 10 0 AEAEHO CCC[C@H](C)[N@H+](C)[C@@H](C)[C@@H](C)CN 86311819 572914414 /nfs/dbraw/zinc/91/44/14/572914414.db2.gz IEROCJSZPLAHKD-DCAQKATOSA-N 1 3 186.343 2.090 10 0 AEAEHO CCC[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)CN 86311819 572914416 /nfs/dbraw/zinc/91/44/16/572914416.db2.gz IEROCJSZPLAHKD-DCAQKATOSA-N 1 3 186.343 2.090 10 0 AEAEHO CCC[NH2+]C[C@H](C)[C@H](C)N(C)C1CC1 86311479 572915132 /nfs/dbraw/zinc/91/51/32/572915132.db2.gz OPCYLOHLMQESCD-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@@H+](C1CC1)[C@H](C)[C@@H](C)CNC 86311551 572914520 /nfs/dbraw/zinc/91/45/20/572914520.db2.gz ZMUOGGVCSMSBGJ-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@H+](C1CC1)[C@H](C)[C@@H](C)CNC 86311551 572914522 /nfs/dbraw/zinc/91/45/22/572914522.db2.gz ZMUOGGVCSMSBGJ-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(C)(C)[N@H+](C)[C@H](C)[C@@H](C)CN 86312661 572914536 /nfs/dbraw/zinc/91/45/36/572914536.db2.gz SHLLYQFHLQTLCX-VHSXEESVSA-N 1 3 186.343 2.090 10 0 AEAEHO CCC(C)(C)[N@@H+](C)[C@H](C)[C@@H](C)CN 86312661 572914537 /nfs/dbraw/zinc/91/45/37/572914537.db2.gz SHLLYQFHLQTLCX-VHSXEESVSA-N 1 3 186.343 2.090 10 0 AEAEHO C[C@@H](CN)[C@@H](C)[N@H+](C)C1CCCCC1 86311246 572914574 /nfs/dbraw/zinc/91/45/74/572914574.db2.gz WMSZVEGQNXZTJG-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](CN)[C@@H](C)[N@@H+](C)C1CCCCC1 86311246 572914576 /nfs/dbraw/zinc/91/45/76/572914576.db2.gz WMSZVEGQNXZTJG-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]([C@H](C)CN)[N@H+](C)CC1CCCC1 86312567 572914603 /nfs/dbraw/zinc/91/46/03/572914603.db2.gz DGAUHPPPLWVQOE-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]([C@H](C)CN)[N@@H+](C)CC1CCCC1 86312567 572914607 /nfs/dbraw/zinc/91/46/07/572914607.db2.gz DGAUHPPPLWVQOE-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]([C@H](C)CN)[N@H+](C)C1CCCCC1 86311249 572914760 /nfs/dbraw/zinc/91/47/60/572914760.db2.gz WMSZVEGQNXZTJG-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]([C@H](C)CN)[N@@H+](C)C1CCCCC1 86311249 572914763 /nfs/dbraw/zinc/91/47/63/572914763.db2.gz WMSZVEGQNXZTJG-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)CC[C@H]1CCC[N@H+](C)C[C@H]1N 257629189 572914854 /nfs/dbraw/zinc/91/48/54/572914854.db2.gz GLJBZCPNLOTCOK-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[C@H]1CCC[N@@H+](C)C[C@H]1N 257629189 572914858 /nfs/dbraw/zinc/91/48/58/572914858.db2.gz GLJBZCPNLOTCOK-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCCC[N@H+](C)[C@@H](C)[C@@H](C)CN 86311660 572914863 /nfs/dbraw/zinc/91/48/63/572914863.db2.gz WNYMWRIEUORFBE-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCCC[N@@H+](C)[C@@H](C)[C@@H](C)CN 86311660 572914866 /nfs/dbraw/zinc/91/48/66/572914866.db2.gz WNYMWRIEUORFBE-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CC(C)[NH2+]C[C@@H](C)[C@@H](C)N(C)C1CC1 86311488 572914948 /nfs/dbraw/zinc/91/49/48/572914948.db2.gz BUXURYRMORSYBW-GHMZBOCLSA-N 1 3 198.354 2.103 10 0 AEAEHO CC[C@@H]1CCCC[N@@H+]1[C@@H](C)[C@@H](C)CN 86311530 572914972 /nfs/dbraw/zinc/91/49/72/572914972.db2.gz WNPQANGCYHLYON-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H]1CCCC[N@H+]1[C@@H](C)[C@@H](C)CN 86311530 572914975 /nfs/dbraw/zinc/91/49/75/572914975.db2.gz WNPQANGCYHLYON-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)C[N@@H+](C1CC1)[C@H](C)[C@@H](C)CN 86312087 572914989 /nfs/dbraw/zinc/91/49/89/572914989.db2.gz BUVIYSOIHMSUND-WDEREUQCSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[N@H+](C1CC1)[C@H](C)[C@@H](C)CN 86312087 572914993 /nfs/dbraw/zinc/91/49/93/572914993.db2.gz BUVIYSOIHMSUND-WDEREUQCSA-N 1 3 198.354 2.090 10 0 AEAEHO CCCCC[N@H+](C)[C@H](C)[C@@H](C)CN 86311661 572915077 /nfs/dbraw/zinc/91/50/77/572915077.db2.gz WNYMWRIEUORFBE-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCCC[N@@H+](C)[C@H](C)[C@@H](C)CN 86311661 572915080 /nfs/dbraw/zinc/91/50/80/572915080.db2.gz WNYMWRIEUORFBE-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO c1cc2c(cn1)CCc1c[nH+]ccc1N2 238038037 572916549 /nfs/dbraw/zinc/91/65/49/572916549.db2.gz QHGUCLQCBADCLI-UHFFFAOYSA-N 1 3 197.241 2.319 10 0 AEAEHO CC(C)(C)CCC[NH2+][C@H]1CC[C@@H](N)C1 313270977 572918140 /nfs/dbraw/zinc/91/81/40/572918140.db2.gz OASLGFBAKVOOQA-MNOVXSKESA-N 1 3 198.354 2.282 10 0 AEAEHO CC(C)[C@@H]1CCC[N@@H+]1[C@@H](C)[C@H](C)CN 252604416 572920642 /nfs/dbraw/zinc/92/06/42/572920642.db2.gz OTWWPIVULPZRCR-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@@H]1CCC[N@H+]1[C@@H](C)[C@H](C)CN 252604416 572920645 /nfs/dbraw/zinc/92/06/45/572920645.db2.gz OTWWPIVULPZRCR-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@@H]1CCC[N@@H+]1[C@H](C)[C@@H](C)CN 252604413 572921631 /nfs/dbraw/zinc/92/16/31/572921631.db2.gz OTWWPIVULPZRCR-TUAOUCFPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@@H]1CCC[N@H+]1[C@H](C)[C@@H](C)CN 252604413 572921632 /nfs/dbraw/zinc/92/16/32/572921632.db2.gz OTWWPIVULPZRCR-TUAOUCFPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@@H]1CCC[N@@H+]1[C@H](C)[C@H](C)CN 252604414 572921988 /nfs/dbraw/zinc/92/19/88/572921988.db2.gz OTWWPIVULPZRCR-UTUOFQBUSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@@H]1CCC[N@H+]1[C@H](C)[C@H](C)CN 252604414 572921990 /nfs/dbraw/zinc/92/19/90/572921990.db2.gz OTWWPIVULPZRCR-UTUOFQBUSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@H](C)N(CC)C[C@H]1CC[NH2+][C@@H]1C 252605911 572923625 /nfs/dbraw/zinc/92/36/25/572923625.db2.gz QAXUVEIFBMOYLT-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](CCN)[NH2+][C@H](C)CC(C)C 308194981 572925884 /nfs/dbraw/zinc/92/58/84/572925884.db2.gz QHIUOFKPTRXFSH-MNOVXSKESA-N 1 3 186.343 2.138 10 0 AEAEHO CC[C@@H](CCN)[NH2+][C@@H](C)CC(C)C 308194983 572925914 /nfs/dbraw/zinc/92/59/14/572925914.db2.gz QHIUOFKPTRXFSH-QWRGUYRKSA-N 1 3 186.343 2.138 10 0 AEAEHO CC[C@H](CCN)[NH2+][C@H](C)CC(C)C 308194980 572926213 /nfs/dbraw/zinc/92/62/13/572926213.db2.gz QHIUOFKPTRXFSH-GHMZBOCLSA-N 1 3 186.343 2.138 10 0 AEAEHO C[C@H](N)[C@H](C)[NH2+][C@H](C)c1cccs1 308198810 572927174 /nfs/dbraw/zinc/92/71/74/572927174.db2.gz OPIHBDKZVIYHDT-XHNCKOQMSA-N 1 3 198.335 2.134 10 0 AEAEHO C[C@H](N)[C@@H](C)[NH2+][C@H](C)c1cccs1 308198803 572927161 /nfs/dbraw/zinc/92/71/61/572927161.db2.gz OPIHBDKZVIYHDT-DJLDLDEBSA-N 1 3 198.335 2.134 10 0 AEAEHO C[C@@H]([NH2+][C@H](C)[C@@H](C)N)c1cccs1 308198808 572927223 /nfs/dbraw/zinc/92/72/23/572927223.db2.gz OPIHBDKZVIYHDT-IWSPIJDZSA-N 1 3 198.335 2.134 10 0 AEAEHO CCCC[C@@H](C)[N@H+](C)[C@H](C)CCN 308200876 572928105 /nfs/dbraw/zinc/92/81/05/572928105.db2.gz PSEPAFUZJMYDTJ-GHMZBOCLSA-N 1 3 186.343 2.234 10 0 AEAEHO CCCC[C@@H](C)[N@@H+](C)[C@H](C)CCN 308200876 572928107 /nfs/dbraw/zinc/92/81/07/572928107.db2.gz PSEPAFUZJMYDTJ-GHMZBOCLSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@@H](C)[C@H]([NH3+])CCN(CC)CC 86392837 572928255 /nfs/dbraw/zinc/92/82/55/572928255.db2.gz NARKTSLYDJZDGO-GHMZBOCLSA-N 1 3 186.343 2.092 10 0 AEAEHO CC(C)C[C@H](C)[N@H+](C)[C@@H]1CC[C@@H](N)C1 223154932 572928359 /nfs/dbraw/zinc/92/83/59/572928359.db2.gz KBGPJUOGEHCMEJ-QJPTWQEYSA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)C[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H](N)C1 223154932 572928360 /nfs/dbraw/zinc/92/83/60/572928360.db2.gz KBGPJUOGEHCMEJ-QJPTWQEYSA-N 1 3 198.354 2.233 10 0 AEAEHO CCCC[C@@H](C)[N@H+](C)[C@@H](C)CCN 308200880 572928390 /nfs/dbraw/zinc/92/83/90/572928390.db2.gz PSEPAFUZJMYDTJ-MNOVXSKESA-N 1 3 186.343 2.234 10 0 AEAEHO CCCC[C@@H](C)[N@@H+](C)[C@@H](C)CCN 308200880 572928393 /nfs/dbraw/zinc/92/83/93/572928393.db2.gz PSEPAFUZJMYDTJ-MNOVXSKESA-N 1 3 186.343 2.234 10 0 AEAEHO CCCC[C@H](C)[N@H+](C)[C@H](C)CCN 308200889 572928456 /nfs/dbraw/zinc/92/84/56/572928456.db2.gz PSEPAFUZJMYDTJ-WDEREUQCSA-N 1 3 186.343 2.234 10 0 AEAEHO CCCC[C@H](C)[N@@H+](C)[C@H](C)CCN 308200889 572928457 /nfs/dbraw/zinc/92/84/57/572928457.db2.gz PSEPAFUZJMYDTJ-WDEREUQCSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@H](C)[C@H]([NH3+])CCN(CC)CC 86392839 572928843 /nfs/dbraw/zinc/92/88/43/572928843.db2.gz NARKTSLYDJZDGO-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](C)[C@@H]([NH3+])C(C)(C)N1CCCC1 86392602 572928926 /nfs/dbraw/zinc/92/89/26/572928926.db2.gz IKSSEWAIUQXNPB-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[C@H]([NH3+])C(C)(C)N1CCCC1 86392599 572929104 /nfs/dbraw/zinc/92/91/04/572929104.db2.gz IKSSEWAIUQXNPB-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](C)[C@@H]([NH3+])C(C)(C)N1CCCC1 86392601 572929303 /nfs/dbraw/zinc/92/93/03/572929303.db2.gz IKSSEWAIUQXNPB-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](C)[C@H]([NH3+])C(C)(C)N1CCCC1 86392597 572929381 /nfs/dbraw/zinc/92/93/81/572929381.db2.gz IKSSEWAIUQXNPB-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](CC1CC1)[NH2+][C@H]1CC[C@H](N)C1 86400749 572930523 /nfs/dbraw/zinc/93/05/23/572930523.db2.gz OXOQHOWRUDFYJJ-TUAOUCFPSA-N 1 3 196.338 2.035 10 0 AEAEHO CC(C)CC[C@H](C)[NH2+][C@H]1CC[C@H](N)C1 86397705 572930640 /nfs/dbraw/zinc/93/06/40/572930640.db2.gz AWHKMWHSJOYSIY-SRVKXCTJSA-N 1 3 198.354 2.281 10 0 AEAEHO CC(C)CC[C@H](C)[NH2+][C@@H]1CC[C@H](N)C1 86397703 572930883 /nfs/dbraw/zinc/93/08/83/572930883.db2.gz AWHKMWHSJOYSIY-SDDRHHMPSA-N 1 3 198.354 2.281 10 0 AEAEHO CCCC[C@H](C)[NH2+][C@H]1CC[C@H](N)C1 86400226 572931116 /nfs/dbraw/zinc/93/11/16/572931116.db2.gz CKSMVYZHPVPEQE-DCAQKATOSA-N 1 3 184.327 2.035 10 0 AEAEHO CCCCC[C@H](C)[NH2+][C@H]1CC[C@H](N)C1 86398538 572931271 /nfs/dbraw/zinc/93/12/71/572931271.db2.gz GEWNJXPRJZRJHB-SRVKXCTJSA-N 1 3 198.354 2.425 10 0 AEAEHO CC[C@H](CC1CC1)[NH2+][C@@H]1CC[C@H](N)C1 86400745 572931340 /nfs/dbraw/zinc/93/13/40/572931340.db2.gz OXOQHOWRUDFYJJ-QJPTWQEYSA-N 1 3 196.338 2.035 10 0 AEAEHO CCC[C@H](CC)[NH2+][C@@H]1CC[C@H](N)C1 86400208 572931396 /nfs/dbraw/zinc/93/13/96/572931396.db2.gz GDRCJLPXSSAOSA-GARJFASQSA-N 1 3 184.327 2.035 10 0 AEAEHO CCCC[C@H](C)[NH2+][C@@H]1CC[C@H](N)C1 86400223 572931410 /nfs/dbraw/zinc/93/14/10/572931410.db2.gz CKSMVYZHPVPEQE-GARJFASQSA-N 1 3 184.327 2.035 10 0 AEAEHO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](N)C1 86401170 572931487 /nfs/dbraw/zinc/93/14/87/572931487.db2.gz LONPJZGUPKTVOR-FIQHERPVSA-N 1 3 198.354 2.281 10 0 AEAEHO N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)C1 86399258 572931655 /nfs/dbraw/zinc/93/16/55/572931655.db2.gz XTNHHHAICNLITF-RYUDHWBXSA-N 1 3 196.338 2.036 10 0 AEAEHO CCC(CC)[C@H](C)[NH2+][C@H]1CC[C@H](N)C1 86400691 572931712 /nfs/dbraw/zinc/93/17/12/572931712.db2.gz QNIOSELJUCDOON-DLOVCJGASA-N 1 3 198.354 2.281 10 0 AEAEHO CCCCCC[NH2+][C@@H]1CC[C@H](N)C1 86397912 572931910 /nfs/dbraw/zinc/93/19/10/572931910.db2.gz WANQVOWPCQITOD-WDEREUQCSA-N 1 3 184.327 2.036 10 0 AEAEHO CCCCCC[NH2+][C@H]1CC[C@H](N)C1 86397914 572931919 /nfs/dbraw/zinc/93/19/19/572931919.db2.gz WANQVOWPCQITOD-QWRGUYRKSA-N 1 3 184.327 2.036 10 0 AEAEHO N[C@@H]1CC[C@H]([NH2+]CCC2CCCC2)C1 86399263 572932071 /nfs/dbraw/zinc/93/20/71/572932071.db2.gz XTNHHHAICNLITF-NEPJUHHUSA-N 1 3 196.338 2.036 10 0 AEAEHO CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](N)C1 86398535 572932174 /nfs/dbraw/zinc/93/21/74/572932174.db2.gz GEWNJXPRJZRJHB-SDDRHHMPSA-N 1 3 198.354 2.425 10 0 AEAEHO CC[C@@H](C)[C@@H]([NH3+])CCN(CC)CC 86392840 572932253 /nfs/dbraw/zinc/93/22/53/572932253.db2.gz NARKTSLYDJZDGO-MNOVXSKESA-N 1 3 186.343 2.092 10 0 AEAEHO CCCCCC[NH2+][C@@H]1CC[C@@H](N)C1 86397916 572932433 /nfs/dbraw/zinc/93/24/33/572932433.db2.gz WANQVOWPCQITOD-GHMZBOCLSA-N 1 3 184.327 2.036 10 0 AEAEHO CCC[C@H](CC)[NH2+][C@H]1CC[C@H](N)C1 86400211 572932521 /nfs/dbraw/zinc/93/25/21/572932521.db2.gz GDRCJLPXSSAOSA-DCAQKATOSA-N 1 3 184.327 2.035 10 0 AEAEHO N[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 86399257 572932623 /nfs/dbraw/zinc/93/26/23/572932623.db2.gz XTNHHHAICNLITF-NWDGAFQWSA-N 1 3 196.338 2.036 10 0 AEAEHO CCCCCC[NH2+][C@H]1CC[C@@H](N)C1 86397918 572932948 /nfs/dbraw/zinc/93/29/48/572932948.db2.gz WANQVOWPCQITOD-MNOVXSKESA-N 1 3 184.327 2.036 10 0 AEAEHO CCC[NH+](CCC)[C@@H]1CCC[C@@H](N)C1 86409697 572933446 /nfs/dbraw/zinc/93/34/46/572933446.db2.gz BXHGPACTQAEQHQ-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[NH+](CCC)[C@@H]1CCC[C@H](N)C1 86409693 572933535 /nfs/dbraw/zinc/93/35/35/572933535.db2.gz BXHGPACTQAEQHQ-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[NH+](CCC)[C@H]1CCC[C@@H](N)C1 86409701 572934687 /nfs/dbraw/zinc/93/46/87/572934687.db2.gz BXHGPACTQAEQHQ-NEPJUHHUSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCC[N@H+](CC)[C@H]1CCC[C@H](N)C1 86409889 572934242 /nfs/dbraw/zinc/93/42/42/572934242.db2.gz YANLVDRSDZALFS-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCC[N@@H+](CC)[C@H]1CCC[C@H](N)C1 86409889 572934246 /nfs/dbraw/zinc/93/42/46/572934246.db2.gz YANLVDRSDZALFS-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[NH+](CCC)[C@H]1CCC[C@H](N)C1 86409695 572934674 /nfs/dbraw/zinc/93/46/74/572934674.db2.gz BXHGPACTQAEQHQ-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCC[N@H+](CC)[C@@H]1CCC[C@H](N)C1 86409888 572935303 /nfs/dbraw/zinc/93/53/03/572935303.db2.gz YANLVDRSDZALFS-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCC[N@@H+](CC)[C@@H]1CCC[C@H](N)C1 86409888 572935305 /nfs/dbraw/zinc/93/53/05/572935305.db2.gz YANLVDRSDZALFS-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CC(C)C[N@H+](C(C)C)[C@@H]1CC[C@H](N)C1 86432452 572935916 /nfs/dbraw/zinc/93/59/16/572935916.db2.gz YXBFYAUZMAFYDW-NWDGAFQWSA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)C[N@@H+](C(C)C)[C@@H]1CC[C@H](N)C1 86432452 572935921 /nfs/dbraw/zinc/93/59/21/572935921.db2.gz YXBFYAUZMAFYDW-NWDGAFQWSA-N 1 3 198.354 2.233 10 0 AEAEHO CCCC[N@H+](C1CC1)[C@H]1CC[C@H](N)C1 86431962 572936362 /nfs/dbraw/zinc/93/63/62/572936362.db2.gz TZBUXJTUNWQECQ-JQWIXIFHSA-N 1 3 196.338 2.131 10 0 AEAEHO CCCC[N@@H+](C1CC1)[C@H]1CC[C@H](N)C1 86431962 572936365 /nfs/dbraw/zinc/93/63/65/572936365.db2.gz TZBUXJTUNWQECQ-JQWIXIFHSA-N 1 3 196.338 2.131 10 0 AEAEHO CCCCN(C1CC1)[C@H]1CC[C@H]([NH3+])C1 86431962 572936368 /nfs/dbraw/zinc/93/63/68/572936368.db2.gz TZBUXJTUNWQECQ-JQWIXIFHSA-N 1 3 196.338 2.131 10 0 AEAEHO CC[C@@H](C)C[N@H+](CC)[C@@H](C)CCN 86437064 572936686 /nfs/dbraw/zinc/93/66/86/572936686.db2.gz RFUVLZWXSORTRM-MNOVXSKESA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)CCN 86437064 572936688 /nfs/dbraw/zinc/93/66/88/572936688.db2.gz RFUVLZWXSORTRM-MNOVXSKESA-N 1 3 186.343 2.092 10 0 AEAEHO CC(C)C[N@H+](C(C)C)[C@H]1CC[C@H](N)C1 86432455 572936736 /nfs/dbraw/zinc/93/67/36/572936736.db2.gz YXBFYAUZMAFYDW-RYUDHWBXSA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)C[N@@H+](C(C)C)[C@H]1CC[C@H](N)C1 86432455 572936738 /nfs/dbraw/zinc/93/67/38/572936738.db2.gz YXBFYAUZMAFYDW-RYUDHWBXSA-N 1 3 198.354 2.233 10 0 AEAEHO CC[C@H](C)C[N@@H+](CC)[C@@H](C)CCN 86437066 572937243 /nfs/dbraw/zinc/93/72/43/572937243.db2.gz RFUVLZWXSORTRM-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](C)C[N@H+](CC)[C@@H](C)CCN 86437066 572937242 /nfs/dbraw/zinc/93/72/42/572937242.db2.gz RFUVLZWXSORTRM-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCCCCNCC(C)(C)[NH2+]C 308195910 572937504 /nfs/dbraw/zinc/93/75/04/572937504.db2.gz MNERPDRKESTBMS-UHFFFAOYSA-N 1 3 186.343 2.154 10 0 AEAEHO CCCC[N@H+](C1CC1)[C@@H]1CC[C@H](N)C1 86431960 572937547 /nfs/dbraw/zinc/93/75/47/572937547.db2.gz TZBUXJTUNWQECQ-CMPLNLGQSA-N 1 3 196.338 2.131 10 0 AEAEHO CCCC[N@@H+](C1CC1)[C@@H]1CC[C@H](N)C1 86431960 572937555 /nfs/dbraw/zinc/93/75/55/572937555.db2.gz TZBUXJTUNWQECQ-CMPLNLGQSA-N 1 3 196.338 2.131 10 0 AEAEHO CCCCN(C1CC1)[C@@H]1CC[C@H]([NH3+])C1 86431960 572937559 /nfs/dbraw/zinc/93/75/59/572937559.db2.gz TZBUXJTUNWQECQ-CMPLNLGQSA-N 1 3 196.338 2.131 10 0 AEAEHO CC(C)CC[N@H+](C)[C@@H]1CCC[C@H](N)C1 86431841 572938209 /nfs/dbraw/zinc/93/82/09/572938209.db2.gz PKTCNAVFXIFKBN-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)CC[N@@H+](C)[C@@H]1CCC[C@H](N)C1 86431841 572938213 /nfs/dbraw/zinc/93/82/13/572938213.db2.gz PKTCNAVFXIFKBN-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)CN(CC)[C@@H](C)CC(N)=[NH2+] 86437802 572939006 /nfs/dbraw/zinc/93/90/06/572939006.db2.gz SIPPWLCGUDORFN-UWVGGRQHSA-N 1 3 199.342 2.069 10 0 AEAEHO CC[C@H](C)C[N@H+](CC)[C@@H]1CC[C@H](N)C1 86439674 572939328 /nfs/dbraw/zinc/93/93/28/572939328.db2.gz UZWGTYVEZPEHEA-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)C[N@@H+](CC)[C@@H]1CC[C@H](N)C1 86439674 572939330 /nfs/dbraw/zinc/93/93/30/572939330.db2.gz UZWGTYVEZPEHEA-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)C[N@H+](CC)CC[C@@H](C)N 86437522 572939344 /nfs/dbraw/zinc/93/93/44/572939344.db2.gz OPZXQPBYEVLLSG-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](C)C[N@@H+](CC)CC[C@@H](C)N 86437522 572939346 /nfs/dbraw/zinc/93/93/46/572939346.db2.gz OPZXQPBYEVLLSG-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H](C)CN(CC)[C@@H](C)CC(N)=[NH2+] 86437800 572939438 /nfs/dbraw/zinc/93/94/38/572939438.db2.gz SIPPWLCGUDORFN-ZJUUUORDSA-N 1 3 199.342 2.069 10 0 AEAEHO CC[C@@H](C)C[N@H+](CC)CC[C@@H](C)N 86437520 572939949 /nfs/dbraw/zinc/93/99/49/572939949.db2.gz OPZXQPBYEVLLSG-GHMZBOCLSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H](C)C[N@@H+](CC)CC[C@@H](C)N 86437520 572939951 /nfs/dbraw/zinc/93/99/51/572939951.db2.gz OPZXQPBYEVLLSG-GHMZBOCLSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[C@@H](C)[N@H+](C)C[C@@H](C)CN 308210239 572942409 /nfs/dbraw/zinc/94/24/09/572942409.db2.gz WAFQVSHNICKZMR-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[C@@H](C)[N@@H+](C)C[C@@H](C)CN 308210239 572942412 /nfs/dbraw/zinc/94/24/12/572942412.db2.gz WAFQVSHNICKZMR-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[C@H](C)[N@H+](C)C[C@@H](C)CN 308210238 572942452 /nfs/dbraw/zinc/94/24/52/572942452.db2.gz WAFQVSHNICKZMR-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[C@H](C)[N@@H+](C)C[C@@H](C)CN 308210238 572942453 /nfs/dbraw/zinc/94/24/53/572942453.db2.gz WAFQVSHNICKZMR-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCCN1 86498637 572945728 /nfs/dbraw/zinc/94/57/28/572945728.db2.gz DHQXPILEGKNDHR-TUAOUCFPSA-N 1 3 198.354 2.295 10 0 AEAEHO CC(C)C[NH2+][C@@H](C)C[C@H]1CCCCN1 86498643 572946013 /nfs/dbraw/zinc/94/60/13/572946013.db2.gz DDVPUPQPCAWJBA-NWDGAFQWSA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@H](C[C@@H]1CCCCN1)[NH2+]C1CCC1 86499346 572946114 /nfs/dbraw/zinc/94/61/14/572946114.db2.gz HBIKAUXMOIRQTM-PWSUYJOCSA-N 1 3 196.338 2.049 10 0 AEAEHO C[C@H](C[C@@H]1CCCC[NH2+]1)NC1CCC1 86499346 572946116 /nfs/dbraw/zinc/94/61/16/572946116.db2.gz HBIKAUXMOIRQTM-PWSUYJOCSA-N 1 3 196.338 2.049 10 0 AEAEHO CCCC[NH2+][C@H](C)C[C@H]1CCCCN1 86498714 572946172 /nfs/dbraw/zinc/94/61/72/572946172.db2.gz NRBJYSVKCVGKBJ-VXGBXAGGSA-N 1 3 198.354 2.297 10 0 AEAEHO C[C@H](C[C@H]1CCCCN1)[NH2+]C1CCC1 86499348 572946724 /nfs/dbraw/zinc/94/67/24/572946724.db2.gz HBIKAUXMOIRQTM-ZYHUDNBSSA-N 1 3 196.338 2.049 10 0 AEAEHO C[C@@H](C[C@H]1CCCCN1)[NH2+]C1CCC1 86499347 572946247 /nfs/dbraw/zinc/94/62/47/572946247.db2.gz HBIKAUXMOIRQTM-CMPLNLGQSA-N 1 3 196.338 2.049 10 0 AEAEHO C[C@@H](C[C@H]1CCCC[NH2+]1)NC1CCC1 86499347 572946250 /nfs/dbraw/zinc/94/62/50/572946250.db2.gz HBIKAUXMOIRQTM-CMPLNLGQSA-N 1 3 196.338 2.049 10 0 AEAEHO C[C@@H](C[C@@H]1CCCCN1)[NH2+]C1CCC1 86499345 572946479 /nfs/dbraw/zinc/94/64/79/572946479.db2.gz HBIKAUXMOIRQTM-JQWIXIFHSA-N 1 3 196.338 2.049 10 0 AEAEHO C[C@@H](C[C@@H]1CCCC[NH2+]1)NC1CCC1 86499345 572946482 /nfs/dbraw/zinc/94/64/82/572946482.db2.gz HBIKAUXMOIRQTM-JQWIXIFHSA-N 1 3 196.338 2.049 10 0 AEAEHO CC[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCCN1 86498631 572946489 /nfs/dbraw/zinc/94/64/89/572946489.db2.gz DHQXPILEGKNDHR-SRVKXCTJSA-N 1 3 198.354 2.295 10 0 AEAEHO CCCC[NH2+][C@@H](C)C[C@@H]1CCCCN1 86498710 572946500 /nfs/dbraw/zinc/94/65/00/572946500.db2.gz NRBJYSVKCVGKBJ-RYUDHWBXSA-N 1 3 198.354 2.297 10 0 AEAEHO C[C@H](C[C@H]1CCCC[NH2+]1)NC1CCC1 86499348 572946727 /nfs/dbraw/zinc/94/67/27/572946727.db2.gz HBIKAUXMOIRQTM-ZYHUDNBSSA-N 1 3 196.338 2.049 10 0 AEAEHO CCCC[NH2+][C@@H](C)C[C@H]1CCCCN1 86498713 572946584 /nfs/dbraw/zinc/94/65/84/572946584.db2.gz NRBJYSVKCVGKBJ-NWDGAFQWSA-N 1 3 198.354 2.297 10 0 AEAEHO CC(C)C[NH2+][C@@H](C)C[C@@H]1CCCCN1 86498639 572946707 /nfs/dbraw/zinc/94/67/07/572946707.db2.gz DDVPUPQPCAWJBA-RYUDHWBXSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[NH2+][C@H](C)C[C@H]1CCCCN1 86498645 572946718 /nfs/dbraw/zinc/94/67/18/572946718.db2.gz DDVPUPQPCAWJBA-VXGBXAGGSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCC[N@H+](C)[C@@H]1CCC[C@H](NC)C1 86599095 572963535 /nfs/dbraw/zinc/96/35/35/572963535.db2.gz WQLNHUGYDMTOPS-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@@H+](C)[C@@H]1CCC[C@H](NC)C1 86599095 572963536 /nfs/dbraw/zinc/96/35/36/572963536.db2.gz WQLNHUGYDMTOPS-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCN(C)[C@@H]1CCC[C@H]([NH2+]C)C1 86599095 572963537 /nfs/dbraw/zinc/96/35/37/572963537.db2.gz WQLNHUGYDMTOPS-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)NCC(C)(C)C[NH2+]C(C)C 238164343 572959828 /nfs/dbraw/zinc/95/98/28/572959828.db2.gz AJTSZGQKWXIHKS-UHFFFAOYSA-N 1 3 186.343 2.009 10 0 AEAEHO CC[C@H](C)[N@H+](C)[C@@H]1CCC[C@H](NC)C1 86599334 572963540 /nfs/dbraw/zinc/96/35/40/572963540.db2.gz BTUYOAPQFYKGQJ-SDDRHHMPSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H](NC)C1 86599334 572963541 /nfs/dbraw/zinc/96/35/41/572963541.db2.gz BTUYOAPQFYKGQJ-SDDRHHMPSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[NH2+][C@H]1CCC[C@@H](N(C)C(C)C)C1 86599017 572963546 /nfs/dbraw/zinc/96/35/46/572963546.db2.gz VNZQDSCAGFQHMA-NWDGAFQWSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@H]1CCC[C@@H]([N@H+](C)C(C)C)C1 86599017 572963547 /nfs/dbraw/zinc/96/35/47/572963547.db2.gz VNZQDSCAGFQHMA-NWDGAFQWSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@H]1CCC[C@@H]([N@@H+](C)C(C)C)C1 86599017 572963548 /nfs/dbraw/zinc/96/35/48/572963548.db2.gz VNZQDSCAGFQHMA-NWDGAFQWSA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@H]1CCC[C@@H]([N@H+](C)CC(C)C)C1 86599310 572963555 /nfs/dbraw/zinc/96/35/55/572963555.db2.gz HNFKFWVMDGWAHQ-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN(C1CC1)[C@H]1CCC[C@H]([NH2+]C)C1 86599164 572961806 /nfs/dbraw/zinc/96/18/06/572961806.db2.gz ZNNGSOSVXGGJRO-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[N@H+](C1CC1)[C@H]1CCC[C@H](NC)C1 86599164 572961810 /nfs/dbraw/zinc/96/18/10/572961810.db2.gz ZNNGSOSVXGGJRO-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[N@@H+](C1CC1)[C@H]1CCC[C@H](NC)C1 86599164 572961811 /nfs/dbraw/zinc/96/18/11/572961811.db2.gz ZNNGSOSVXGGJRO-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[N@H+](C(C)C)[C@@H]1CCC[C@H](NC)C1 86599211 572962029 /nfs/dbraw/zinc/96/20/29/572962029.db2.gz IYTFTLVENFYJKY-NWDGAFQWSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[N@@H+](C(C)C)[C@@H]1CCC[C@H](NC)C1 86599211 572962030 /nfs/dbraw/zinc/96/20/30/572962030.db2.gz IYTFTLVENFYJKY-NWDGAFQWSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[N@H+](C(C)C)[C@H]1CCC[C@H](NC)C1 86599213 572962060 /nfs/dbraw/zinc/96/20/60/572962060.db2.gz IYTFTLVENFYJKY-RYUDHWBXSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[N@@H+](C(C)C)[C@H]1CCC[C@H](NC)C1 86599213 572962062 /nfs/dbraw/zinc/96/20/62/572962062.db2.gz IYTFTLVENFYJKY-RYUDHWBXSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[NH2+][C@@H]1CCC[C@@H](N(C)C2CC2)C1 86599197 572962089 /nfs/dbraw/zinc/96/20/89/572962089.db2.gz XJEDSWLXUYKTLC-ZYHUDNBSSA-N 1 3 196.338 2.001 10 0 AEAEHO CCCN(C)[C@H]1CCC[C@H]([NH2+]CC)C1 86599298 572962108 /nfs/dbraw/zinc/96/21/08/572962108.db2.gz HQTMJSRBJBEYHB-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@H+](C)[C@H]1CCC[C@H](NCC)C1 86599298 572962110 /nfs/dbraw/zinc/96/21/10/572962110.db2.gz HQTMJSRBJBEYHB-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+](C)[C@H]1CCC[C@H](NCC)C1 86599298 572962113 /nfs/dbraw/zinc/96/21/13/572962113.db2.gz HQTMJSRBJBEYHB-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@H+](C)[C@H]1CCC[C@H](NC)C1 86599098 572962504 /nfs/dbraw/zinc/96/25/04/572962504.db2.gz WQLNHUGYDMTOPS-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@@H+](C)[C@H]1CCC[C@H](NC)C1 86599098 572962505 /nfs/dbraw/zinc/96/25/05/572962505.db2.gz WQLNHUGYDMTOPS-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCN(C)[C@H]1CCC[C@H]([NH2+]C)C1 86599098 572962506 /nfs/dbraw/zinc/96/25/06/572962506.db2.gz WQLNHUGYDMTOPS-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+][C@H]1CCC[C@H](N(CC)CC)C1 86598896 572962616 /nfs/dbraw/zinc/96/26/16/572962616.db2.gz RSIKJDZXJINDNM-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@H]1CCC[C@H]([NH+](CC)CC)C1 86598896 572962618 /nfs/dbraw/zinc/96/26/18/572962618.db2.gz RSIKJDZXJINDNM-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+][C@H]1CCC[C@@H](N(CC)CC)C1 86598900 572962648 /nfs/dbraw/zinc/96/26/48/572962648.db2.gz RSIKJDZXJINDNM-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@H]1CCC[C@@H]([NH+](CC)CC)C1 86598900 572962649 /nfs/dbraw/zinc/96/26/49/572962649.db2.gz RSIKJDZXJINDNM-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCN(C)[C@@H]1CCC[C@H]([NH2+]CC)C1 86599297 572962655 /nfs/dbraw/zinc/96/26/55/572962655.db2.gz HQTMJSRBJBEYHB-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@H+](C)[C@@H]1CCC[C@H](NCC)C1 86599297 572962657 /nfs/dbraw/zinc/96/26/57/572962657.db2.gz HQTMJSRBJBEYHB-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+](C)[C@@H]1CCC[C@H](NCC)C1 86599297 572962659 /nfs/dbraw/zinc/96/26/59/572962659.db2.gz HQTMJSRBJBEYHB-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@H]1CCC[C@H](N(C)CC)C1 86599134 572962806 /nfs/dbraw/zinc/96/28/06/572962806.db2.gz RIDCULNURNPUSM-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@H]1CCC[C@@H](N(C)CC)C1 86599138 572962853 /nfs/dbraw/zinc/96/28/53/572962853.db2.gz RIDCULNURNPUSM-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@H]1CCC[C@H]([N@H+](C)CC(C)C)C1 86599311 572962925 /nfs/dbraw/zinc/96/29/25/572962925.db2.gz HNFKFWVMDGWAHQ-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CCC[C@H]([N@@H+](C)CC(C)C)C1 86599311 572962928 /nfs/dbraw/zinc/96/29/28/572962928.db2.gz HNFKFWVMDGWAHQ-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+][C@@H]1CCC[C@@H](N(C)CC)C1 86599136 572963049 /nfs/dbraw/zinc/96/30/49/572963049.db2.gz RIDCULNURNPUSM-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+][C@H]1CCC[C@H](N(C)C(C)C)C1 86599012 572963064 /nfs/dbraw/zinc/96/30/64/572963064.db2.gz VNZQDSCAGFQHMA-RYUDHWBXSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@H]1CCC[C@H]([N@H+](C)C(C)C)C1 86599012 572963066 /nfs/dbraw/zinc/96/30/66/572963066.db2.gz VNZQDSCAGFQHMA-RYUDHWBXSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@H]1CCC[C@H]([N@@H+](C)C(C)C)C1 86599012 572963068 /nfs/dbraw/zinc/96/30/68/572963068.db2.gz VNZQDSCAGFQHMA-RYUDHWBXSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[NH2+][C@H]1CCC[C@H](N(C)C2CC2)C1 86599196 572963086 /nfs/dbraw/zinc/96/30/86/572963086.db2.gz XJEDSWLXUYKTLC-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[NH2+][C@@H]1CCC[C@H](N(C)C2CC2)C1 86599194 572963173 /nfs/dbraw/zinc/96/31/73/572963173.db2.gz XJEDSWLXUYKTLC-PWSUYJOCSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[NH2+][C@H]1CCC[C@@H](N(C)C2CC2)C1 86599199 572963180 /nfs/dbraw/zinc/96/31/80/572963180.db2.gz XJEDSWLXUYKTLC-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC[NH+](CCC)[C@H]1CC[C@H](NC)C1 86618463 572965653 /nfs/dbraw/zinc/96/56/53/572965653.db2.gz BZOBAQUPOOTSOA-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+][C@@H]1CCC[C@@H](N(C)C(C)C)C1 86599015 572963298 /nfs/dbraw/zinc/96/32/98/572963298.db2.gz VNZQDSCAGFQHMA-VXGBXAGGSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@@H]1CCC[C@@H]([N@H+](C)C(C)C)C1 86599015 572963300 /nfs/dbraw/zinc/96/33/00/572963300.db2.gz VNZQDSCAGFQHMA-VXGBXAGGSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@@H]1CCC[C@@H]([N@@H+](C)C(C)C)C1 86599015 572963303 /nfs/dbraw/zinc/96/33/03/572963303.db2.gz VNZQDSCAGFQHMA-VXGBXAGGSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[N@H+](CC)[C@H]1CCC[C@H](NC)C1 86599259 572963386 /nfs/dbraw/zinc/96/33/86/572963386.db2.gz SQCPPGGZUUOOKF-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+](CC)[C@H]1CCC[C@H](NC)C1 86599259 572963388 /nfs/dbraw/zinc/96/33/88/572963388.db2.gz SQCPPGGZUUOOKF-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+][C@@H]1CCC[C@@H](N(CC)CC)C1 86598898 572963429 /nfs/dbraw/zinc/96/34/29/572963429.db2.gz RSIKJDZXJINDNM-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@@H]1CCC[C@@H]([NH+](CC)CC)C1 86598898 572963431 /nfs/dbraw/zinc/96/34/31/572963431.db2.gz RSIKJDZXJINDNM-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN(C1CC1)[C@@H]1CCC[C@H]([NH2+]C)C1 86599163 572963447 /nfs/dbraw/zinc/96/34/47/572963447.db2.gz ZNNGSOSVXGGJRO-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[N@H+](C1CC1)[C@@H]1CCC[C@H](NC)C1 86599163 572963449 /nfs/dbraw/zinc/96/34/49/572963449.db2.gz ZNNGSOSVXGGJRO-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[N@@H+](C1CC1)[C@@H]1CCC[C@H](NC)C1 86599163 572963451 /nfs/dbraw/zinc/96/34/51/572963451.db2.gz ZNNGSOSVXGGJRO-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[NH2+][C@@H]1CCC[C@H](N(C)C(C)C)C1 86599009 572963459 /nfs/dbraw/zinc/96/34/59/572963459.db2.gz VNZQDSCAGFQHMA-NEPJUHHUSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@@H]1CCC[C@H]([N@H+](C)C(C)C)C1 86599009 572963460 /nfs/dbraw/zinc/96/34/60/572963460.db2.gz VNZQDSCAGFQHMA-NEPJUHHUSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@@H]1CCC[C@H]([N@@H+](C)C(C)C)C1 86599009 572963461 /nfs/dbraw/zinc/96/34/61/572963461.db2.gz VNZQDSCAGFQHMA-NEPJUHHUSA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@H]1CCC[C@@H]([N@@H+](C)CC(C)C)C1 86599310 572963557 /nfs/dbraw/zinc/96/35/57/572963557.db2.gz HNFKFWVMDGWAHQ-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@H]1CC[C@@H](N(C)CCC(C)C)C1 86619049 572965546 /nfs/dbraw/zinc/96/55/46/572965546.db2.gz DMHQCGSYNPGGMH-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CC[C@H]([N@H+](C)CCC(C)C)C1 86619050 572965718 /nfs/dbraw/zinc/96/57/18/572965718.db2.gz DMHQCGSYNPGGMH-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CC[C@H]([N@@H+](C)CCC(C)C)C1 86619050 572965720 /nfs/dbraw/zinc/96/57/20/572965720.db2.gz DMHQCGSYNPGGMH-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@H]1CC[C@H](N(C)CCC(C)C)C1 86619050 572965721 /nfs/dbraw/zinc/96/57/21/572965721.db2.gz DMHQCGSYNPGGMH-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCC[N@H+](C)[C@@H]1CC[C@H](NC)C1 86618817 572965725 /nfs/dbraw/zinc/96/57/25/572965725.db2.gz ZKWRPBJFHFSVCJ-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[N@@H+](C)[C@@H]1CC[C@H](NC)C1 86618817 572965727 /nfs/dbraw/zinc/96/57/27/572965727.db2.gz ZKWRPBJFHFSVCJ-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCCN(C)[C@@H]1CC[C@H]([NH2+]C)C1 86618817 572965729 /nfs/dbraw/zinc/96/57/29/572965729.db2.gz ZKWRPBJFHFSVCJ-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](C)[N@H+](CC)[C@@H]1CC[C@H](NC)C1 86618806 572965397 /nfs/dbraw/zinc/96/53/97/572965397.db2.gz LZTKJHUKWSBCQT-SDDRHHMPSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)[C@@H]1CC[C@H](NC)C1 86618806 572965399 /nfs/dbraw/zinc/96/53/99/572965399.db2.gz LZTKJHUKWSBCQT-SDDRHHMPSA-N 1 3 198.354 2.247 10 0 AEAEHO CCCC[N@H+](CC)[C@@H]1CC[C@H](NC)C1 86618570 572965524 /nfs/dbraw/zinc/96/55/24/572965524.db2.gz QWPQBVDMYXVRDN-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@@H+](CC)[C@@H]1CC[C@H](NC)C1 86618570 572965525 /nfs/dbraw/zinc/96/55/25/572965525.db2.gz QWPQBVDMYXVRDN-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@H]1CC[C@@H]([N@H+](C)CCC(C)C)C1 86619049 572965541 /nfs/dbraw/zinc/96/55/41/572965541.db2.gz DMHQCGSYNPGGMH-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CC[C@@H]([N@@H+](C)CCC(C)C)C1 86619049 572965543 /nfs/dbraw/zinc/96/55/43/572965543.db2.gz DMHQCGSYNPGGMH-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+][C@@H]1CC[C@@H](N(C)CCC)C1 86618761 572965573 /nfs/dbraw/zinc/96/55/73/572965573.db2.gz IQLRXXRRWNRWEU-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@H]1CC[C@H](N2CCCC2)C1 86618298 572965622 /nfs/dbraw/zinc/96/56/22/572965622.db2.gz HXSRRETYUKPOEL-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[NH2+][C@@H]1CC[C@H](N(C)C2CC2)C1 86618697 572965643 /nfs/dbraw/zinc/96/56/43/572965643.db2.gz RAKXDTCYPDQYTF-PWSUYJOCSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC[NH+](CCC)[C@@H]1CC[C@H](NC)C1 86618462 572965856 /nfs/dbraw/zinc/96/58/56/572965856.db2.gz BZOBAQUPOOTSOA-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[N@H+](C)[C@H]1CC[C@H](NC)C1 86618818 572965943 /nfs/dbraw/zinc/96/59/43/572965943.db2.gz ZKWRPBJFHFSVCJ-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[N@@H+](C)[C@H]1CC[C@H](NC)C1 86618818 572965947 /nfs/dbraw/zinc/96/59/47/572965947.db2.gz ZKWRPBJFHFSVCJ-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCCN(C)[C@H]1CC[C@H]([NH2+]C)C1 86618818 572965950 /nfs/dbraw/zinc/96/59/50/572965950.db2.gz ZKWRPBJFHFSVCJ-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@H+](C(C)C)[C@@H]1CC[C@H](NC)C1 86618741 572966069 /nfs/dbraw/zinc/96/60/69/572966069.db2.gz SEFLNMUMFORHGO-NWDGAFQWSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@@H]1CC[C@H](NC)C1 86618741 572966070 /nfs/dbraw/zinc/96/60/70/572966070.db2.gz SEFLNMUMFORHGO-NWDGAFQWSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@H]1CC[C@H]([N@H+](CC)C(C)C)C1 86618714 572966104 /nfs/dbraw/zinc/96/61/04/572966104.db2.gz JTQKYVSIMIPEJI-RYUDHWBXSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@H]1CC[C@H]([N@@H+](CC)C(C)C)C1 86618714 572966106 /nfs/dbraw/zinc/96/61/06/572966106.db2.gz JTQKYVSIMIPEJI-RYUDHWBXSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(C)(C)[N@H+](C)[C@H]1CC[C@H](NC)C1 86619580 572966168 /nfs/dbraw/zinc/96/61/68/572966168.db2.gz URRVXBZOXLHPLU-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(C)(C)[N@@H+](C)[C@H]1CC[C@H](NC)C1 86619580 572966169 /nfs/dbraw/zinc/96/61/69/572966169.db2.gz URRVXBZOXLHPLU-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[NH2+][C@H]1CC[C@H](N(CC)C2CC2)C1 86618686 572966216 /nfs/dbraw/zinc/96/62/16/572966216.db2.gz KKRJSCBGWZCUBL-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC[NH2+][C@H]1CC[C@H](N(C)C(C)C)C1 86618435 572966249 /nfs/dbraw/zinc/96/62/49/572966249.db2.gz KFBIYEHXRYAMPU-RYUDHWBXSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H](C)C[N@H+](C)[C@@H]1CC[C@H](NC)C1 86618824 572966370 /nfs/dbraw/zinc/96/63/70/572966370.db2.gz WXQGFOUAYGULIQ-SDDRHHMPSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+][C@@H]1CC[C@H](N(C)CCC)C1 86618759 572966347 /nfs/dbraw/zinc/96/63/47/572966347.db2.gz IQLRXXRRWNRWEU-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@H]1CC[C@@H]([N@H+](C)CC(C)C)C1 86618774 572966426 /nfs/dbraw/zinc/96/64/26/572966426.db2.gz CWHZTKGTCUATPC-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCC[N@H+](C)[C@H]1CC[C@H](NCC)C1 86618548 572966454 /nfs/dbraw/zinc/96/64/54/572966454.db2.gz SSKHYKIQCPRZSM-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@H]1CC[C@@H]([N@@H+](C)CC(C)C)C1 86618774 572966429 /nfs/dbraw/zinc/96/64/29/572966429.db2.gz CWHZTKGTCUATPC-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCN(C)[C@H]1CC[C@H]([NH2+]CC)C1 86618548 572966451 /nfs/dbraw/zinc/96/64/51/572966451.db2.gz SSKHYKIQCPRZSM-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@H]1CC[C@@H](N2CCCC2)C1 86618300 572966486 /nfs/dbraw/zinc/96/64/86/572966486.db2.gz HXSRRETYUKPOEL-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CCCC[N@@H+](C)[C@H]1CC[C@H](NCC)C1 86618548 572966457 /nfs/dbraw/zinc/96/64/57/572966457.db2.gz SSKHYKIQCPRZSM-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@H+](CC)[C@H]1CC[C@H](NC)C1 86618571 572966471 /nfs/dbraw/zinc/96/64/71/572966471.db2.gz QWPQBVDMYXVRDN-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@@H+](CC)[C@H]1CC[C@H](NC)C1 86618571 572966474 /nfs/dbraw/zinc/96/64/74/572966474.db2.gz QWPQBVDMYXVRDN-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCN(C)[C@@H]1CC[C@H]([NH2+]CC)C1 86618547 572966587 /nfs/dbraw/zinc/96/65/87/572966587.db2.gz SSKHYKIQCPRZSM-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@H+](C)[C@@H]1CC[C@H](NCC)C1 86618547 572966590 /nfs/dbraw/zinc/96/65/90/572966590.db2.gz SSKHYKIQCPRZSM-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@@H+](C)[C@@H]1CC[C@H](NCC)C1 86618547 572966592 /nfs/dbraw/zinc/96/65/92/572966592.db2.gz SSKHYKIQCPRZSM-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@@H]1CC[C@@H](N(C)C(C)C)C1 86618436 572966608 /nfs/dbraw/zinc/96/66/08/572966608.db2.gz KFBIYEHXRYAMPU-VXGBXAGGSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@@H]1CC[C@@H]([N@H+](C)CC(C)C)C1 86618773 572966915 /nfs/dbraw/zinc/96/69/15/572966915.db2.gz CWHZTKGTCUATPC-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@@H]1CC[C@@H]([N@@H+](C)CC(C)C)C1 86618773 572966917 /nfs/dbraw/zinc/96/69/17/572966917.db2.gz CWHZTKGTCUATPC-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+][C@H]1CC[C@@H](N(CC)CC)C1 86618334 572966937 /nfs/dbraw/zinc/96/69/37/572966937.db2.gz DGKRTAMXSWYQGK-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH+](CCC)[C@H]1CC[C@@H](NC)C1 86618465 572966989 /nfs/dbraw/zinc/96/69/89/572966989.db2.gz BZOBAQUPOOTSOA-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@@H]1CC[C@H](N(C)C(C)C)C1 86618434 572967026 /nfs/dbraw/zinc/96/70/26/572967026.db2.gz KFBIYEHXRYAMPU-NEPJUHHUSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[C@H](C)[N@H+](C)[C@@H]1CC[C@H](NC)C1 86618928 572967034 /nfs/dbraw/zinc/96/70/34/572967034.db2.gz PSLBBFLMGMEFBF-SDDRHHMPSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](NC)C1 86618928 572967036 /nfs/dbraw/zinc/96/70/36/572967036.db2.gz PSLBBFLMGMEFBF-SDDRHHMPSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[N@H+](C1CC1)[C@@H]1CC[C@H](NC)C1 86618749 572967156 /nfs/dbraw/zinc/96/71/56/572967156.db2.gz KIKQISFGXDDWLN-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC[N@@H+](C1CC1)[C@@H]1CC[C@H](NC)C1 86618749 572967159 /nfs/dbraw/zinc/96/71/59/572967159.db2.gz KIKQISFGXDDWLN-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO CCCN(C1CC1)[C@@H]1CC[C@H]([NH2+]C)C1 86618749 572967161 /nfs/dbraw/zinc/96/71/61/572967161.db2.gz KIKQISFGXDDWLN-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC[N@H+](CC)[C@H]1CC[C@H](NCC)C1 86618740 572967183 /nfs/dbraw/zinc/96/71/83/572967183.db2.gz QTLLVACMKDWCCA-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+](CC)[C@H]1CC[C@H](NCC)C1 86618740 572967184 /nfs/dbraw/zinc/96/71/84/572967184.db2.gz QTLLVACMKDWCCA-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC(CC)[N@H+](C)[C@H]1CC[C@H](NC)C1 86618920 572967213 /nfs/dbraw/zinc/96/72/13/572967213.db2.gz GBUSMZTXXRMZAR-JQWIXIFHSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@H]1CC[C@H](NC)C1 86618920 572967215 /nfs/dbraw/zinc/96/72/15/572967215.db2.gz GBUSMZTXXRMZAR-JQWIXIFHSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(CC)[N@H+](C)[C@@H]1CC[C@H](NC)C1 86618919 572967219 /nfs/dbraw/zinc/96/72/19/572967219.db2.gz GBUSMZTXXRMZAR-CMPLNLGQSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(CC)[N@@H+](C)[C@@H]1CC[C@H](NC)C1 86618919 572967221 /nfs/dbraw/zinc/96/72/21/572967221.db2.gz GBUSMZTXXRMZAR-CMPLNLGQSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@@H]1CC[C@H]([N@H+](CC)C(C)C)C1 86618713 572967230 /nfs/dbraw/zinc/96/72/30/572967230.db2.gz JTQKYVSIMIPEJI-NEPJUHHUSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@@H]1CC[C@H]([N@@H+](CC)C(C)C)C1 86618713 572967232 /nfs/dbraw/zinc/96/72/32/572967232.db2.gz JTQKYVSIMIPEJI-NEPJUHHUSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[NH2+][C@H]1CC[C@H](N(C)C2CC2)C1 86618698 572967261 /nfs/dbraw/zinc/96/72/61/572967261.db2.gz RAKXDTCYPDQYTF-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC[NH2+][C@@H]1CC[C@@H](N2CCCC2)C1 86618299 572967265 /nfs/dbraw/zinc/96/72/65/572967265.db2.gz HXSRRETYUKPOEL-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[NH2+][C@@H]1CC[C@@H](N(CC)C2CC2)C1 86618687 572967332 /nfs/dbraw/zinc/96/73/32/572967332.db2.gz KKRJSCBGWZCUBL-ZYHUDNBSSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC[NH2+][C@H]1CC[C@H](N(CC)CC)C1 86618332 572967350 /nfs/dbraw/zinc/96/73/50/572967350.db2.gz DGKRTAMXSWYQGK-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@H]1CC[C@@H](N(C)C2CC2)C1 86618700 572967386 /nfs/dbraw/zinc/96/73/86/572967386.db2.gz RAKXDTCYPDQYTF-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC[NH2+][C@@H]1CC[C@H](N2CCCC2)C1 86618297 572967430 /nfs/dbraw/zinc/96/74/30/572967430.db2.gz HXSRRETYUKPOEL-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@H+](C(C)C)[C@H]1CC[C@H](NC)C1 86618742 572967391 /nfs/dbraw/zinc/96/73/91/572967391.db2.gz SEFLNMUMFORHGO-RYUDHWBXSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@H]1CC[C@H](NC)C1 86618742 572967393 /nfs/dbraw/zinc/96/73/93/572967393.db2.gz SEFLNMUMFORHGO-RYUDHWBXSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[NH2+][C@@H]1CC[C@@H](N(CC)CC)C1 86618333 572967396 /nfs/dbraw/zinc/96/73/96/572967396.db2.gz DGKRTAMXSWYQGK-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@H+](C1CC1)[C@H]1CC[C@H](NC)C1 86618750 572967457 /nfs/dbraw/zinc/96/74/57/572967457.db2.gz KIKQISFGXDDWLN-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC[N@@H+](C1CC1)[C@H]1CC[C@H](NC)C1 86618750 572967458 /nfs/dbraw/zinc/96/74/58/572967458.db2.gz KIKQISFGXDDWLN-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CCCN(C1CC1)[C@H]1CC[C@H]([NH2+]C)C1 86618750 572967460 /nfs/dbraw/zinc/96/74/60/572967460.db2.gz KIKQISFGXDDWLN-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC(C)(C)[N@H+](C)[C@@H]1CC[C@H](NC)C1 86619579 572967594 /nfs/dbraw/zinc/96/75/94/572967594.db2.gz URRVXBZOXLHPLU-WDEREUQCSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(C)(C)[N@@H+](C)[C@@H]1CC[C@H](NC)C1 86619579 572967595 /nfs/dbraw/zinc/96/75/95/572967595.db2.gz URRVXBZOXLHPLU-WDEREUQCSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[NH2+][C@H]1CC[C@@H](N(C)CCC)C1 86618762 572967601 /nfs/dbraw/zinc/96/76/01/572967601.db2.gz IQLRXXRRWNRWEU-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[N@H+](CC(C)C)[C@@H]1CC[C@H](NC)C1 86618789 572967613 /nfs/dbraw/zinc/96/76/13/572967613.db2.gz ZNJXOOBKXANAEA-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@@H+](CC(C)C)[C@@H]1CC[C@H](NC)C1 86618789 572967616 /nfs/dbraw/zinc/96/76/16/572967616.db2.gz ZNJXOOBKXANAEA-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+][C@H]1CC[C@H](N(C)CCC)C1 86618760 572967622 /nfs/dbraw/zinc/96/76/22/572967622.db2.gz IQLRXXRRWNRWEU-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC1CN(C(CC)(CC)C[NH3+])C1 86679128 572971468 /nfs/dbraw/zinc/97/14/68/572971468.db2.gz NBDUMZMPFSBUID-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)(C[NH3+])N1CC(C(C)C)C1 86679145 572972084 /nfs/dbraw/zinc/97/20/84/572972084.db2.gz LYKXVYWWSNZAAO-UHFFFAOYSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](CC[NH3+])N1CC(CC)(CC)C1 86682199 572972400 /nfs/dbraw/zinc/97/24/00/572972400.db2.gz XPGPZCYOUBHOFL-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](CCN)[NH+]1CC(CC)(CC)C1 86682199 572972401 /nfs/dbraw/zinc/97/24/01/572972401.db2.gz XPGPZCYOUBHOFL-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](CC[NH3+])N1CC(CC)(CC)C1 86682198 572972514 /nfs/dbraw/zinc/97/25/14/572972514.db2.gz XPGPZCYOUBHOFL-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](CCN)[NH+]1CC(CC)(CC)C1 86682198 572972517 /nfs/dbraw/zinc/97/25/17/572972517.db2.gz XPGPZCYOUBHOFL-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](CCN)[NH+]1CC(C(C)(C)C)C1 86682275 572973711 /nfs/dbraw/zinc/97/37/11/572973711.db2.gz JQALMQFSWULOTP-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](CCN)[NH+]1CC(C(C)(C)C)C1 86682272 572973876 /nfs/dbraw/zinc/97/38/76/572973876.db2.gz JQALMQFSWULOTP-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)(C)CC(C)(C)[NH2+][C@@H]1CCNC1 86727478 572974172 /nfs/dbraw/zinc/97/41/72/572974172.db2.gz SCLXBKNYJCTMFJ-SNVBAGLBSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)(C)CC(C)(C)[NH2+][C@H]1CCNC1 86727481 572974605 /nfs/dbraw/zinc/97/46/05/572974605.db2.gz SCLXBKNYJCTMFJ-JTQLQIEISA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@](C)(N)C[N@H+](C)CCC(C)C 86809506 572982483 /nfs/dbraw/zinc/98/24/83/572982483.db2.gz DPJWWLROZVARLQ-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@](C)([NH3+])CNC1C(C)(C)C1(C)C 86810743 572982122 /nfs/dbraw/zinc/98/21/22/572982122.db2.gz SYLJCQBAFNJKTP-LBPRGKRZSA-N 1 3 198.354 2.138 10 0 AEAEHO CCCCC[N@H+](C)C[C@@](C)(N)CC 86809059 572982139 /nfs/dbraw/zinc/98/21/39/572982139.db2.gz SHAHPYIIEOKVTP-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCCCC[N@@H+](C)C[C@@](C)(N)CC 86809059 572982141 /nfs/dbraw/zinc/98/21/41/572982141.db2.gz SHAHPYIIEOKVTP-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCCCC[N@H+](C)C[C@](C)(N)CC 86809055 572982249 /nfs/dbraw/zinc/98/22/49/572982249.db2.gz SHAHPYIIEOKVTP-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCCCC[N@@H+](C)C[C@](C)(N)CC 86809055 572982252 /nfs/dbraw/zinc/98/22/52/572982252.db2.gz SHAHPYIIEOKVTP-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CC[C@@](C)([NH3+])CNC1C(C)(C)C1(C)C 86810745 572982440 /nfs/dbraw/zinc/98/24/40/572982440.db2.gz SYLJCQBAFNJKTP-GFCCVEGCSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@](C)(N)C[N@@H+](C)CCC(C)C 86809506 572982485 /nfs/dbraw/zinc/98/24/85/572982485.db2.gz DPJWWLROZVARLQ-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@](C)(N)C[N@H+](C)CCC(C)C 86809511 572982995 /nfs/dbraw/zinc/98/29/95/572982995.db2.gz DPJWWLROZVARLQ-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@](C)(N)C[N@@H+](C)CCC(C)C 86809511 572982996 /nfs/dbraw/zinc/98/29/96/572982996.db2.gz DPJWWLROZVARLQ-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[N@H+](C)CC(N)(CC)CC 86814276 572983962 /nfs/dbraw/zinc/98/39/62/572983962.db2.gz AFJBQYWITLMBIY-UHFFFAOYSA-N 1 3 186.343 2.236 10 0 AEAEHO CCCC[N@@H+](C)CC(N)(CC)CC 86814276 572983963 /nfs/dbraw/zinc/98/39/63/572983963.db2.gz AFJBQYWITLMBIY-UHFFFAOYSA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[N@H+](CC(N)(CC)CC)C1CC1 86814336 572984004 /nfs/dbraw/zinc/98/40/04/572984004.db2.gz HYDWOKOEOOFNSP-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[N@@H+](CC(N)(CC)CC)C1CC1 86814336 572984005 /nfs/dbraw/zinc/98/40/05/572984005.db2.gz HYDWOKOEOOFNSP-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC([NH3+])(CC)CN(C)C[C@H]1C[C@@H]1C 86814814 572985185 /nfs/dbraw/zinc/98/51/85/572985185.db2.gz LQFWSYYJSNYEIX-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(N)(CC)C[N@H+](C)C[C@H]1C[C@@H]1C 86814814 572985186 /nfs/dbraw/zinc/98/51/86/572985186.db2.gz LQFWSYYJSNYEIX-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(N)(CC)C[N@@H+](C)C[C@H]1C[C@@H]1C 86814814 572985188 /nfs/dbraw/zinc/98/51/88/572985188.db2.gz LQFWSYYJSNYEIX-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC([NH3+])(CC)CN(C)C[C@@H]1C[C@@H]1C 86814812 572986379 /nfs/dbraw/zinc/98/63/79/572986379.db2.gz LQFWSYYJSNYEIX-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(N)(CC)C[N@H+](C)C[C@@H]1C[C@@H]1C 86814812 572986380 /nfs/dbraw/zinc/98/63/80/572986380.db2.gz LQFWSYYJSNYEIX-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(N)(CC)C[N@@H+](C)C[C@@H]1C[C@@H]1C 86814812 572986381 /nfs/dbraw/zinc/98/63/81/572986381.db2.gz LQFWSYYJSNYEIX-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](CCN)[NH2+]C1CCCCC1 113296834 572999827 /nfs/dbraw/zinc/99/98/27/572999827.db2.gz WAIHDSYKJKEGAW-JTQLQIEISA-N 1 3 184.327 2.036 10 0 AEAEHO CCC(CC)[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238244858 573000863 /nfs/dbraw/zinc/00/08/63/573000863.db2.gz FXYVNBAECWVEFP-WLLOZRIZSA-N 1 3 196.338 2.129 10 0 AEAEHO CCC(CC)[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238244858 573000871 /nfs/dbraw/zinc/00/08/71/573000871.db2.gz FXYVNBAECWVEFP-WLLOZRIZSA-N 1 3 196.338 2.129 10 0 AEAEHO CN[C@H]1CC[N@H+](C(C)(C)C)C(C)(C)C1 259305955 573002829 /nfs/dbraw/zinc/00/28/29/573002829.db2.gz HRWZGKCVPDIMPS-JTQLQIEISA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@H]1CC[N@@H+](C(C)(C)C)C(C)(C)C1 259305955 573002835 /nfs/dbraw/zinc/00/28/35/573002835.db2.gz HRWZGKCVPDIMPS-JTQLQIEISA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@@H]1CC[N@H+](C(C)(C)C)C(C)(C)C1 259305959 573003273 /nfs/dbraw/zinc/00/32/73/573003273.db2.gz HRWZGKCVPDIMPS-SNVBAGLBSA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@@H]1CC[N@@H+](C(C)(C)C)C(C)(C)C1 259305959 573003281 /nfs/dbraw/zinc/00/32/81/573003281.db2.gz HRWZGKCVPDIMPS-SNVBAGLBSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(CC)[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238244869 573003409 /nfs/dbraw/zinc/00/34/09/573003409.db2.gz FXYVNBAECWVEFP-YHPBZONMSA-N 1 3 196.338 2.129 10 0 AEAEHO CCC(CC)[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238244869 573003415 /nfs/dbraw/zinc/00/34/15/573003415.db2.gz FXYVNBAECWVEFP-YHPBZONMSA-N 1 3 196.338 2.129 10 0 AEAEHO CC[NH2+][C@@H](C)CCN[C@H]1CCC1(C)C 308472370 573003604 /nfs/dbraw/zinc/00/36/04/573003604.db2.gz CGBZBQUJJWYWFC-QWRGUYRKSA-N 1 3 198.354 2.153 10 0 AEAEHO CCN[C@@H](C)CC[NH2+][C@H]1CCC1(C)C 308472370 573003611 /nfs/dbraw/zinc/00/36/11/573003611.db2.gz CGBZBQUJJWYWFC-QWRGUYRKSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[NH2+][C@@H](C)CCN[C@@H]1CCC1(C)C 308472373 573005814 /nfs/dbraw/zinc/00/58/14/573005814.db2.gz CGBZBQUJJWYWFC-WDEREUQCSA-N 1 3 198.354 2.153 10 0 AEAEHO CCN[C@@H](C)CC[NH2+][C@@H]1CCC1(C)C 308472373 573005821 /nfs/dbraw/zinc/00/58/21/573005821.db2.gz CGBZBQUJJWYWFC-WDEREUQCSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@@H](C)[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238253199 573011850 /nfs/dbraw/zinc/01/18/50/573011850.db2.gz BWOYOCAHAXWTMR-WISYIIOYSA-N 1 3 196.338 2.129 10 0 AEAEHO CCC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238253199 573011881 /nfs/dbraw/zinc/01/18/81/573011881.db2.gz BWOYOCAHAXWTMR-WISYIIOYSA-N 1 3 196.338 2.129 10 0 AEAEHO CCC[C@H](C)[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238252969 573013817 /nfs/dbraw/zinc/01/38/17/573013817.db2.gz BWOYOCAHAXWTMR-FIQHERPVSA-N 1 3 196.338 2.129 10 0 AEAEHO CCC[C@H](C)[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238252969 573013820 /nfs/dbraw/zinc/01/38/20/573013820.db2.gz BWOYOCAHAXWTMR-FIQHERPVSA-N 1 3 196.338 2.129 10 0 AEAEHO CCCC(C)(C)[NH2+]CCC(C)(C)N 308225196 573013943 /nfs/dbraw/zinc/01/39/43/573013943.db2.gz QKDUXDOOPHUECG-UHFFFAOYSA-N 1 3 186.343 2.282 10 0 AEAEHO CCC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238253189 573015076 /nfs/dbraw/zinc/01/50/76/573015076.db2.gz BWOYOCAHAXWTMR-KKOKHZNYSA-N 1 3 196.338 2.129 10 0 AEAEHO CCC[C@@H](C)[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238253189 573015071 /nfs/dbraw/zinc/01/50/71/573015071.db2.gz BWOYOCAHAXWTMR-KKOKHZNYSA-N 1 3 196.338 2.129 10 0 AEAEHO CC[C@@]1(C[C@@H]2CCCN2C)CCC[NH2+]1 258225858 573015767 /nfs/dbraw/zinc/01/57/67/573015767.db2.gz PFBIEVOQRQFLBV-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@]1(C[C@@H]2CCCN2C)CCC[NH2+]1 258225856 573016188 /nfs/dbraw/zinc/01/61/88/573016188.db2.gz PFBIEVOQRQFLBV-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[C@H]1C[C@H]1NC[C@H]([NH3+])CC(C)C 308475990 573016452 /nfs/dbraw/zinc/01/64/52/573016452.db2.gz LDFSPTRZALZWSH-QJPTWQEYSA-N 1 3 198.354 2.138 10 0 AEAEHO CCC[C@H]1C[C@@H]1NC[C@H]([NH3+])CC(C)C 308475992 573016726 /nfs/dbraw/zinc/01/67/26/573016726.db2.gz LDFSPTRZALZWSH-TUAOUCFPSA-N 1 3 198.354 2.138 10 0 AEAEHO C[C@H]1CCCC[C@H]1[N@@H+](C)[C@@H](C)CCN 42602416 573016905 /nfs/dbraw/zinc/01/69/05/573016905.db2.gz FJRPKPRZUMNAFX-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H](C)CCN 42602416 573016912 /nfs/dbraw/zinc/01/69/12/573016912.db2.gz FJRPKPRZUMNAFX-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCCC[C@@](C)(C[NH3+])N1CCCC1 82390068 573018085 /nfs/dbraw/zinc/01/80/85/573018085.db2.gz BDEHQDGNQBBVAL-LBPRGKRZSA-N 1 3 198.354 2.380 10 0 AEAEHO CC[C@@]1(C[C@H]2CCCN2C)CCC[NH2+]1 258225854 573019827 /nfs/dbraw/zinc/01/98/27/573019827.db2.gz PFBIEVOQRQFLBV-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CCCC[N@@H+]1CCCN[C@@H](CC)CC1 49663221 573029600 /nfs/dbraw/zinc/02/96/00/573029600.db2.gz ICIZBSGRFRJCBG-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCC[N@H+]1CCCN[C@@H](CC)CC1 49663221 573029605 /nfs/dbraw/zinc/02/96/05/573029605.db2.gz ICIZBSGRFRJCBG-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCN1CCC[NH2+][C@@H](CC)CC1 49663221 573029594 /nfs/dbraw/zinc/02/95/94/573029594.db2.gz ICIZBSGRFRJCBG-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCC[N@H+]1CCCNC[C@@H](C)C1 49663764 573030465 /nfs/dbraw/zinc/03/04/65/573030465.db2.gz YAUUIYLHPYLPOB-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CCCCN1CCC[NH2+][C@H](CC)CC1 49663219 573030496 /nfs/dbraw/zinc/03/04/96/573030496.db2.gz ICIZBSGRFRJCBG-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCC[N@@H+]1CCCN[C@H](CC)CC1 49663219 573030502 /nfs/dbraw/zinc/03/05/02/573030502.db2.gz ICIZBSGRFRJCBG-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCC[N@H+]1CCCN[C@H](CC)CC1 49663219 573030507 /nfs/dbraw/zinc/03/05/07/573030507.db2.gz ICIZBSGRFRJCBG-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCC[N@@H+]1CCN[C@H](CC)CC1 49661080 573032895 /nfs/dbraw/zinc/03/28/95/573032895.db2.gz PFIBTOJGWFJUJT-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCC[N@H+]1CCN[C@H](CC)CC1 49661080 573032900 /nfs/dbraw/zinc/03/29/00/573032900.db2.gz PFIBTOJGWFJUJT-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[N@@H+]1CCC[C@@H]1C1(N)CCCCC1 257925471 573034824 /nfs/dbraw/zinc/03/48/24/573034824.db2.gz GQLRLGJUMQPWHI-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO CC[N@H+]1CCC[C@@H]1C1(N)CCCCC1 257925471 573034828 /nfs/dbraw/zinc/03/48/28/573034828.db2.gz GQLRLGJUMQPWHI-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO CCN1CCC[C@@H]1C1([NH3+])CCCCC1 257925471 573034836 /nfs/dbraw/zinc/03/48/36/573034836.db2.gz GQLRLGJUMQPWHI-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO CCCCC[N@@H+]1CCCNCC[C@@H]1C 259314855 573036245 /nfs/dbraw/zinc/03/62/45/573036245.db2.gz IAFBIEUTCHDSJD-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCC[N@H+]1CCCNCC[C@@H]1C 259314855 573036253 /nfs/dbraw/zinc/03/62/53/573036253.db2.gz IAFBIEUTCHDSJD-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[N@@H+]1CCC[C@H]1C1(N)CCCCC1 257925472 573036833 /nfs/dbraw/zinc/03/68/33/573036833.db2.gz GQLRLGJUMQPWHI-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO CC[N@H+]1CCC[C@H]1C1(N)CCCCC1 257925472 573036839 /nfs/dbraw/zinc/03/68/39/573036839.db2.gz GQLRLGJUMQPWHI-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO CCN1CCC[C@H]1C1([NH3+])CCCCC1 257925472 573036843 /nfs/dbraw/zinc/03/68/43/573036843.db2.gz GQLRLGJUMQPWHI-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO CCCCC[N@@H+]1CCCNCC[C@H]1C 259314851 573038258 /nfs/dbraw/zinc/03/82/58/573038258.db2.gz IAFBIEUTCHDSJD-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCC[N@H+]1CCCNCC[C@H]1C 259314851 573038261 /nfs/dbraw/zinc/03/82/61/573038261.db2.gz IAFBIEUTCHDSJD-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[C@@H]1C[C@H]1NCC1([NH3+])CCCC1 233305904 573042765 /nfs/dbraw/zinc/04/27/65/573042765.db2.gz ADZQMBRLPVZLSD-GHMZBOCLSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@](C)(CN)C[NH2+]C1CCCCC1 128473782 573042875 /nfs/dbraw/zinc/04/28/75/573042875.db2.gz NRWAAGJXSQUMJN-GFCCVEGCSA-N 1 3 198.354 2.284 10 0 AEAEHO CN1CCCC[C@@H]1CC1([NH3+])CCCC1 257934068 573042977 /nfs/dbraw/zinc/04/29/77/573042977.db2.gz HIBJDTXPNFOFNF-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO CN1CCCC[C@H]1CC1([NH3+])CCCC1 257934071 573043806 /nfs/dbraw/zinc/04/38/06/573043806.db2.gz HIBJDTXPNFOFNF-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO CCC[C@H](N)CC[NH2+]C1CCCC1 128578163 573044172 /nfs/dbraw/zinc/04/41/72/573044172.db2.gz RDJDACSUZKXTJA-JTQLQIEISA-N 1 3 184.327 2.036 10 0 AEAEHO CCC[C@H](N)CC[NH2+]CC(C)(C)C 128582252 573044438 /nfs/dbraw/zinc/04/44/38/573044438.db2.gz NHCANDZPSXUNCQ-JTQLQIEISA-N 1 3 186.343 2.140 10 0 AEAEHO CCC[C@@H](N)CC[NH2+]CC(C)(C)C 128582470 573047173 /nfs/dbraw/zinc/04/71/73/573047173.db2.gz NHCANDZPSXUNCQ-SNVBAGLBSA-N 1 3 186.343 2.140 10 0 AEAEHO CC[C@@](C)(CN)C[NH2+]C1CCCCC1 128473590 573047836 /nfs/dbraw/zinc/04/78/36/573047836.db2.gz NRWAAGJXSQUMJN-LBPRGKRZSA-N 1 3 198.354 2.284 10 0 AEAEHO CCCCCN1CC[C@@H]([NH2+]C)C[C@@H]1C 49707830 573050285 /nfs/dbraw/zinc/05/02/85/573050285.db2.gz UTHVGPIGXWBNFG-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[N@@H+]1CC[C@@H](NC)C[C@@H]1C 49707830 573050292 /nfs/dbraw/zinc/05/02/92/573050292.db2.gz UTHVGPIGXWBNFG-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[N@H+]1CC[C@@H](NC)C[C@@H]1C 49707830 573050295 /nfs/dbraw/zinc/05/02/95/573050295.db2.gz UTHVGPIGXWBNFG-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@@H]1CCN(C(C)C)C[C@@H]1C 49694189 573050416 /nfs/dbraw/zinc/05/04/16/573050416.db2.gz HJWQUFFEFYIFIK-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)[N@@H+]1CC[C@@H](NC)C[C@@H]1C 49709097 573052332 /nfs/dbraw/zinc/05/23/32/573052332.db2.gz NUYUHFWWODWEEG-WDEREUQCSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(CC)[N@H+]1CC[C@@H](NC)C[C@@H]1C 49709097 573052339 /nfs/dbraw/zinc/05/23/39/573052339.db2.gz NUYUHFWWODWEEG-WDEREUQCSA-N 1 3 198.354 2.247 10 0 AEAEHO CCCCCN1CC[C@H]([NH2+]C)C[C@@H]1C 49707829 573053764 /nfs/dbraw/zinc/05/37/64/573053764.db2.gz UTHVGPIGXWBNFG-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[N@@H+]1CC[C@H](NC)C[C@@H]1C 49707829 573053770 /nfs/dbraw/zinc/05/37/70/573053770.db2.gz UTHVGPIGXWBNFG-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[N@H+]1CC[C@H](NC)C[C@@H]1C 49707829 573053776 /nfs/dbraw/zinc/05/37/76/573053776.db2.gz UTHVGPIGXWBNFG-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@@H]1CCN(CCC[NH2+]CC)C1 128517334 573054189 /nfs/dbraw/zinc/05/41/89/573054189.db2.gz GHNUWQUPKKCWLO-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[C@@H]1CC[N@H+](CCCNCC)C1 128517334 573054194 /nfs/dbraw/zinc/05/41/94/573054194.db2.gz GHNUWQUPKKCWLO-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[C@@H]1CC[N@@H+](CCCNCC)C1 128517334 573054201 /nfs/dbraw/zinc/05/42/01/573054201.db2.gz GHNUWQUPKKCWLO-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[C@H]1CCN(CCC[NH2+]CC)C1 128517528 573056629 /nfs/dbraw/zinc/05/66/29/573056629.db2.gz GHNUWQUPKKCWLO-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[C@H]1CC[N@H+](CCCNCC)C1 128517528 573056631 /nfs/dbraw/zinc/05/66/31/573056631.db2.gz GHNUWQUPKKCWLO-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[C@H]1CC[N@@H+](CCCNCC)C1 128517528 573056636 /nfs/dbraw/zinc/05/66/36/573056636.db2.gz GHNUWQUPKKCWLO-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO [NH3+]C1(CN2CCCCCCC2)CCC1 88051695 573056679 /nfs/dbraw/zinc/05/66/79/573056679.db2.gz LXOZRXSRNRZUNS-UHFFFAOYSA-N 1 3 196.338 2.134 10 0 AEAEHO C[C@H]1CCC[C@@H]([NH2+]C2CC(N)C2)CC1 235696959 573058939 /nfs/dbraw/zinc/05/89/39/573058939.db2.gz SDXJOZBUAUIJPJ-UZEXVOJHSA-N 1 3 196.338 2.035 10 0 AEAEHO CCC[C@@H]([NH3+])CCN1CCC(C)CC1 128537031 573060224 /nfs/dbraw/zinc/06/02/24/573060224.db2.gz CPMJHMVAKBRKNK-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H]([NH3+])CCN1CCCC[C@@H]1C 128537330 573060329 /nfs/dbraw/zinc/06/03/29/573060329.db2.gz IGQATRKLCNEHIH-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@H]([NH3+])CCN1CCC[C@H](C)C1 128539224 573060902 /nfs/dbraw/zinc/06/09/02/573060902.db2.gz PTKXDVKCDRZXIV-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCN(C)CC[C@H]([NH3+])CCC 128542263 573061774 /nfs/dbraw/zinc/06/17/74/573061774.db2.gz RQGAGPHEGHAJEK-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[C@@H](N)CC[NH+]1CCCCCC1 128540014 573064372 /nfs/dbraw/zinc/06/43/72/573064372.db2.gz IPUBQDNSWOIDGU-GFCCVEGCSA-N 1 3 198.354 2.380 10 0 AEAEHO CCC[C@@H]([NH3+])CCN1CCCCCC1 128540014 573064377 /nfs/dbraw/zinc/06/43/77/573064377.db2.gz IPUBQDNSWOIDGU-GFCCVEGCSA-N 1 3 198.354 2.380 10 0 AEAEHO CCC[C@@H]([NH3+])CCN1CCCC[C@@H]1C 128537572 573064556 /nfs/dbraw/zinc/06/45/56/573064556.db2.gz IGQATRKLCNEHIH-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@@H](N)CC[N@H+](C)C1CCCC1 128553803 573066000 /nfs/dbraw/zinc/06/60/00/573066000.db2.gz ROIDMIQNHQGYIN-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@@H](N)CC[N@@H+](C)C1CCCC1 128553803 573066004 /nfs/dbraw/zinc/06/60/04/573066004.db2.gz ROIDMIQNHQGYIN-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@@H]([NH3+])CCN(C)C1CCCC1 128553803 573066011 /nfs/dbraw/zinc/06/60/11/573066011.db2.gz ROIDMIQNHQGYIN-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@H](N)CC[N@H+](CC)C(C)C 128552566 573066381 /nfs/dbraw/zinc/06/63/81/573066381.db2.gz LJNJIKIHOXHFES-NSHDSACASA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@H](N)CC[N@@H+](CC)C(C)C 128552566 573066388 /nfs/dbraw/zinc/06/63/88/573066388.db2.gz LJNJIKIHOXHFES-NSHDSACASA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@H]([NH3+])CCN(CC)C(C)C 128552566 573066398 /nfs/dbraw/zinc/06/63/98/573066398.db2.gz LJNJIKIHOXHFES-NSHDSACASA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@H](N)CC[N@H+](C)CC(C)C 128555945 573066629 /nfs/dbraw/zinc/06/66/29/573066629.db2.gz IQDVLHLDSASVGO-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@H](N)CC[N@@H+](C)CC(C)C 128555945 573066633 /nfs/dbraw/zinc/06/66/33/573066633.db2.gz IQDVLHLDSASVGO-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@H]([NH3+])CCN(C)CC(C)C 128555945 573066642 /nfs/dbraw/zinc/06/66/42/573066642.db2.gz IQDVLHLDSASVGO-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@H]([NH3+])CCN(CCC)C1CC1 128555032 573066887 /nfs/dbraw/zinc/06/68/87/573066887.db2.gz ZDTCHMVNFARVMB-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@@H](N)CC[N@H+](C)[C@@H](C)C1CC1 128565279 573067062 /nfs/dbraw/zinc/06/70/62/573067062.db2.gz DWIGWXJEVRGOGA-CMPLNLGQSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@@H](N)CC[N@@H+](C)[C@@H](C)C1CC1 128565279 573067068 /nfs/dbraw/zinc/06/70/68/573067068.db2.gz DWIGWXJEVRGOGA-CMPLNLGQSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@@H]([NH3+])CCN(C)[C@@H](C)C1CC1 128565279 573067073 /nfs/dbraw/zinc/06/70/73/573067073.db2.gz DWIGWXJEVRGOGA-CMPLNLGQSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](N)CC[N@H+](C)[C@@H](C)C1CC1 128565070 573067622 /nfs/dbraw/zinc/06/76/22/573067622.db2.gz DWIGWXJEVRGOGA-JQWIXIFHSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](N)CC[N@@H+](C)[C@@H](C)C1CC1 128565070 573067625 /nfs/dbraw/zinc/06/76/25/573067625.db2.gz DWIGWXJEVRGOGA-JQWIXIFHSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H]([NH3+])CCN(C)[C@@H](C)C1CC1 128565070 573067634 /nfs/dbraw/zinc/06/76/34/573067634.db2.gz DWIGWXJEVRGOGA-JQWIXIFHSA-N 1 3 198.354 2.234 10 0 AEAEHO C[NH+](C)[C@H](CC(C)(C)N)C(C)(C)C 259321504 573068698 /nfs/dbraw/zinc/06/86/98/573068698.db2.gz DPPNJMCLQQAAKE-SECBINFHSA-N 1 3 186.343 2.090 10 0 AEAEHO CN(C)[C@H](CC(C)(C)[NH3+])C(C)(C)C 259321504 573068692 /nfs/dbraw/zinc/06/86/92/573068692.db2.gz DPPNJMCLQQAAKE-SECBINFHSA-N 1 3 186.343 2.090 10 0 AEAEHO CCC[C@@H](N)CC[N@H+](CC)CCC 128554260 573068921 /nfs/dbraw/zinc/06/89/21/573068921.db2.gz BUYJJRUMRCJTLY-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[C@@H](N)CC[N@@H+](CC)CCC 128554260 573068926 /nfs/dbraw/zinc/06/89/26/573068926.db2.gz BUYJJRUMRCJTLY-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[C@@H]([NH3+])CCN(CC)CCC 128554260 573068935 /nfs/dbraw/zinc/06/89/35/573068935.db2.gz BUYJJRUMRCJTLY-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[C@@H]([NH3+])CCN(CCC)C1CC1 128555271 573069042 /nfs/dbraw/zinc/06/90/42/573069042.db2.gz ZDTCHMVNFARVMB-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@@H](N)CC[N@H+](CC)C(C)C 128552798 573069685 /nfs/dbraw/zinc/06/96/85/573069685.db2.gz LJNJIKIHOXHFES-LLVKDONJSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@@H](N)CC[N@@H+](CC)C(C)C 128552798 573069690 /nfs/dbraw/zinc/06/96/90/573069690.db2.gz LJNJIKIHOXHFES-LLVKDONJSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@@H]([NH3+])CCN(CC)C(C)C 128552798 573069696 /nfs/dbraw/zinc/06/96/96/573069696.db2.gz LJNJIKIHOXHFES-LLVKDONJSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@H](N)CC[N@H+](C)C1CCCC1 128553559 573070098 /nfs/dbraw/zinc/07/00/98/573070098.db2.gz ROIDMIQNHQGYIN-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@H](N)CC[N@@H+](C)C1CCCC1 128553559 573070106 /nfs/dbraw/zinc/07/01/06/573070106.db2.gz ROIDMIQNHQGYIN-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@H]([NH3+])CCN(C)C1CCCC1 128553559 573070109 /nfs/dbraw/zinc/07/01/09/573070109.db2.gz ROIDMIQNHQGYIN-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CN(C)[C@@H](CC(C)(C)[NH3+])C(C)(C)C 259321508 573071326 /nfs/dbraw/zinc/07/13/26/573071326.db2.gz DPPNJMCLQQAAKE-VIFPVBQESA-N 1 3 186.343 2.090 10 0 AEAEHO C[NH+](C)[C@@H](CC(C)(C)N)C(C)(C)C 259321508 573071332 /nfs/dbraw/zinc/07/13/32/573071332.db2.gz DPPNJMCLQQAAKE-VIFPVBQESA-N 1 3 186.343 2.090 10 0 AEAEHO CCC[C@H](N)CC[N@H+](C)[C@@H](C)CC 128556446 573071409 /nfs/dbraw/zinc/07/14/09/573071409.db2.gz HFDWDKYHLNTXMO-QWRGUYRKSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@H](N)CC[N@@H+](C)[C@@H](C)CC 128556446 573071412 /nfs/dbraw/zinc/07/14/12/573071412.db2.gz HFDWDKYHLNTXMO-QWRGUYRKSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@H]([NH3+])CCN(C)[C@@H](C)CC 128556446 573071414 /nfs/dbraw/zinc/07/14/14/573071414.db2.gz HFDWDKYHLNTXMO-QWRGUYRKSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@@H](N)CC[NH2+]C1CCCCC1 128573903 573073030 /nfs/dbraw/zinc/07/30/30/573073030.db2.gz ATMSWTWRDZROEE-LLVKDONJSA-N 1 3 198.354 2.426 10 0 AEAEHO CCC[C@H](N)CC[NH2+]C1CCCCC1 128573731 573074201 /nfs/dbraw/zinc/07/42/01/573074201.db2.gz ATMSWTWRDZROEE-NSHDSACASA-N 1 3 198.354 2.426 10 0 AEAEHO CC(C)C[NH2+]CC[C@H]1CCCCN1C 49754999 573079050 /nfs/dbraw/zinc/07/90/50/573079050.db2.gz LOGBFVMGUVTCSU-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[NH2+]CC[C@@H]1CCCCN1C 49750724 573080898 /nfs/dbraw/zinc/08/08/98/573080898.db2.gz WUNGUTXUIVDNTL-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[C@H](N)CC[NH2+]C[C@@H](C)CC 128629068 573085200 /nfs/dbraw/zinc/08/52/00/573085200.db2.gz HSXLRNZWPHTION-QWRGUYRKSA-N 1 3 186.343 2.140 10 0 AEAEHO CCC[C@H](N)CC[NH2+]C[C@H](C)CC 128629442 573086002 /nfs/dbraw/zinc/08/60/02/573086002.db2.gz HSXLRNZWPHTION-MNOVXSKESA-N 1 3 186.343 2.140 10 0 AEAEHO CCC[C@@H](N)CC[NH2+]C[C@@H](C)CC 128629251 573088944 /nfs/dbraw/zinc/08/89/44/573088944.db2.gz HSXLRNZWPHTION-WDEREUQCSA-N 1 3 186.343 2.140 10 0 AEAEHO CC[C@](C)(C[NH3+])CN(C)CCC1CC1 308500301 573091477 /nfs/dbraw/zinc/09/14/77/573091477.db2.gz GGCMAMXUWJIQBY-GFCCVEGCSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@@H](N)CC[N@H+](CC)CC1CC1 128647118 573093390 /nfs/dbraw/zinc/09/33/90/573093390.db2.gz KLXWXSDMLUWEQO-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](N)CC[N@@H+](CC)CC1CC1 128647118 573093394 /nfs/dbraw/zinc/09/33/94/573093394.db2.gz KLXWXSDMLUWEQO-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H]([NH3+])CCN(CC)CC1CC1 128647118 573093411 /nfs/dbraw/zinc/09/34/11/573093411.db2.gz KLXWXSDMLUWEQO-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CNC[C@H]1CCC(C)(C)[N@H+](C(C)C)C1 259327162 573093878 /nfs/dbraw/zinc/09/38/78/573093878.db2.gz IPPIJQKECUUAJH-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@H]1CCC(C)(C)[N@@H+](C(C)C)C1 259327162 573093867 /nfs/dbraw/zinc/09/38/67/573093867.db2.gz IPPIJQKECUUAJH-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@@H]([NH2+][C@H]1CC[C@@H](N)C1)C1CCCC1 88162985 573094234 /nfs/dbraw/zinc/09/42/34/573094234.db2.gz FARAIUMTWNXNHH-JLLWLGSASA-N 1 3 196.338 2.035 10 0 AEAEHO CCC[C@H]([NH3+])CCN(C)C[C@@H]1C[C@@H]1C 128646408 573094556 /nfs/dbraw/zinc/09/45/56/573094556.db2.gz ZSSPSAHNXZFPCT-SRVKXCTJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@](C)(C[NH3+])CN(C)CCC1CC1 308500302 573094832 /nfs/dbraw/zinc/09/48/32/573094832.db2.gz GGCMAMXUWJIQBY-LBPRGKRZSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@H](N)CC[NH2+]C1(C)CCCC1 128657949 573095916 /nfs/dbraw/zinc/09/59/16/573095916.db2.gz ZOMDNRWVIDPINH-NSHDSACASA-N 1 3 198.354 2.426 10 0 AEAEHO CCC[C@@H](N)CC[NH2+]C1(C)CCCC1 128658166 573096173 /nfs/dbraw/zinc/09/61/73/573096173.db2.gz ZOMDNRWVIDPINH-LLVKDONJSA-N 1 3 198.354 2.426 10 0 AEAEHO C[C@H]([NH2+][C@H]1CC[C@@H](N)C1)C1CCCC1 88162885 573096624 /nfs/dbraw/zinc/09/66/24/573096624.db2.gz FARAIUMTWNXNHH-WCQGTBRESA-N 1 3 196.338 2.035 10 0 AEAEHO C[C@@H]([NH2+][C@@H]1CC[C@@H](N)C1)C1CCCC1 88162984 573096769 /nfs/dbraw/zinc/09/67/69/573096769.db2.gz FARAIUMTWNXNHH-YUSALJHKSA-N 1 3 196.338 2.035 10 0 AEAEHO CNC[C@@H]1CCC(C)(C)[N@@H+](C(C)C)C1 259327163 573098139 /nfs/dbraw/zinc/09/81/39/573098139.db2.gz IPPIJQKECUUAJH-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@@H]1CCC(C)(C)[N@H+](C(C)C)C1 259327163 573098145 /nfs/dbraw/zinc/09/81/45/573098145.db2.gz IPPIJQKECUUAJH-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[C@@H]([NH3+])CCN1CCC(C)(C)C1 128668224 573097216 /nfs/dbraw/zinc/09/72/16/573097216.db2.gz LQTNRJGBHPIMLI-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H]([NH3+])CCN1CCC(C)(C)C1 128667958 573097389 /nfs/dbraw/zinc/09/73/89/573097389.db2.gz LQTNRJGBHPIMLI-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC[N@@H+]1CCCC[C@@H]1CC1(N)CCC1 257943805 573097928 /nfs/dbraw/zinc/09/79/28/573097928.db2.gz ICNRSGPOLTYWBO-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO CC[N@H+]1CCCC[C@@H]1CC1(N)CCC1 257943805 573097933 /nfs/dbraw/zinc/09/79/33/573097933.db2.gz ICNRSGPOLTYWBO-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO CCN1CCCC[C@@H]1CC1([NH3+])CCC1 257943805 573097939 /nfs/dbraw/zinc/09/79/39/573097939.db2.gz ICNRSGPOLTYWBO-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO CC[N@@H+]1CCCC[C@H]1CC1(N)CCC1 257943807 573098445 /nfs/dbraw/zinc/09/84/45/573098445.db2.gz ICNRSGPOLTYWBO-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO CC[N@H+]1CCCC[C@H]1CC1(N)CCC1 257943807 573098452 /nfs/dbraw/zinc/09/84/52/573098452.db2.gz ICNRSGPOLTYWBO-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO CCN1CCCC[C@H]1CC1([NH3+])CCC1 257943807 573098462 /nfs/dbraw/zinc/09/84/62/573098462.db2.gz ICNRSGPOLTYWBO-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO CC(C)(C)CC[N@@H+]1CCC[C@H]1CCN 308496109 573109010 /nfs/dbraw/zinc/10/90/10/573109010.db2.gz WCOSNNQYXRZSSO-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)(C)CC[N@H+]1CCC[C@H]1CCN 308496109 573109017 /nfs/dbraw/zinc/10/90/17/573109017.db2.gz WCOSNNQYXRZSSO-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)(C)CC[N@@H+]1CCC[C@@H]1CCN 308496107 573110316 /nfs/dbraw/zinc/11/03/16/573110316.db2.gz WCOSNNQYXRZSSO-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)(C)CC[N@H+]1CCC[C@@H]1CCN 308496107 573110325 /nfs/dbraw/zinc/11/03/25/573110325.db2.gz WCOSNNQYXRZSSO-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC1(C)CC[NH+](C(C)(C)CCN)CC1 259332283 573110373 /nfs/dbraw/zinc/11/03/73/573110373.db2.gz RSKYFMHIPQCIMS-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@@H+]1CC[C@@H](NC)CC1(C)C 259329947 573112341 /nfs/dbraw/zinc/11/23/41/573112341.db2.gz IUZCMZCLTDJPRA-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@H+]1CC[C@@H](NC)CC1(C)C 259329947 573112351 /nfs/dbraw/zinc/11/23/51/573112351.db2.gz IUZCMZCLTDJPRA-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCN1CC[C@@H]([NH2+]C)CC1(C)C 259329947 573112356 /nfs/dbraw/zinc/11/23/56/573112356.db2.gz IUZCMZCLTDJPRA-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@@H+]1CC[C@H](NC)CC1(C)C 259329952 573113140 /nfs/dbraw/zinc/11/31/40/573113140.db2.gz IUZCMZCLTDJPRA-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@H+]1CC[C@H](NC)CC1(C)C 259329952 573113146 /nfs/dbraw/zinc/11/31/46/573113146.db2.gz IUZCMZCLTDJPRA-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCN1CC[C@H]([NH2+]C)CC1(C)C 259329952 573113151 /nfs/dbraw/zinc/11/31/51/573113151.db2.gz IUZCMZCLTDJPRA-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO C[C@H]1CCCC[N@H+]1CC(C)(C)[C@@H](C)N 85678133 573114887 /nfs/dbraw/zinc/11/48/87/573114887.db2.gz SORQVWUEUZFDKL-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]1CCC[N@@H+](CC(C)(C)[C@@H](C)N)C1 85678172 573114709 /nfs/dbraw/zinc/11/47/09/573114709.db2.gz CLBJQJBPENWHOV-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]1CCC[N@H+](CC(C)(C)[C@@H](C)N)C1 85678172 573114712 /nfs/dbraw/zinc/11/47/12/573114712.db2.gz CLBJQJBPENWHOV-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H]1[C@H](CN)CCCC[N@@H+]1C(C)C 238287709 573115512 /nfs/dbraw/zinc/11/55/12/573115512.db2.gz KYHLOLPORPKVBQ-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H]1[C@H](CN)CCCC[N@H+]1C(C)C 238287709 573115523 /nfs/dbraw/zinc/11/55/23/573115523.db2.gz KYHLOLPORPKVBQ-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]1CCCC[N@H+]1CC(C)(C)[C@@H](C)N 85678129 573115882 /nfs/dbraw/zinc/11/58/82/573115882.db2.gz SORQVWUEUZFDKL-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]1CCCC[N@@H+]1CC(C)(C)[C@@H](C)N 85678129 573115886 /nfs/dbraw/zinc/11/58/86/573115886.db2.gz SORQVWUEUZFDKL-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CC1CC[NH+](CC(C)(C)[C@H](C)N)CC1 85678038 573116105 /nfs/dbraw/zinc/11/61/05/573116105.db2.gz WDESUEPZVGIGAS-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC1CCN(CC(C)(C)[C@H](C)[NH3+])CC1 85678038 573116112 /nfs/dbraw/zinc/11/61/12/573116112.db2.gz WDESUEPZVGIGAS-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H](N)C(C)(C)C[NH+]1CCCCCC1 85678185 573116739 /nfs/dbraw/zinc/11/67/39/573116739.db2.gz MVJUXTOCRBKTSD-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@H](N)C(C)(C)C[N@@H+]1CCCC1(C)C 85679535 573117992 /nfs/dbraw/zinc/11/79/92/573117992.db2.gz LNRGHKSFJIEGCH-JTQLQIEISA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)C(C)(C)C[N@H+]1CCCC1(C)C 85679535 573118006 /nfs/dbraw/zinc/11/80/06/573118006.db2.gz LNRGHKSFJIEGCH-JTQLQIEISA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](N)C(C)(C)C[NH+]1CCCCCC1 85678187 573118591 /nfs/dbraw/zinc/11/85/91/573118591.db2.gz MVJUXTOCRBKTSD-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](C)[N@H+](CCC)CCCN 233333725 573121214 /nfs/dbraw/zinc/12/12/14/573121214.db2.gz ALGNZXLBPPTWDE-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[C@H](C)[N@@H+](CCC)CCCN 233333725 573121219 /nfs/dbraw/zinc/12/12/19/573121219.db2.gz ALGNZXLBPPTWDE-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CC[C@@H](C)N1CC[C@H]([NH2+]C)C(C)(C)C1 259335023 573122774 /nfs/dbraw/zinc/12/27/74/573122774.db2.gz RWGYBGSWMOVDPR-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[N@@H+]1CC[C@H](NC)C(C)(C)C1 259335023 573122780 /nfs/dbraw/zinc/12/27/80/573122780.db2.gz RWGYBGSWMOVDPR-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[N@H+]1CC[C@H](NC)C(C)(C)C1 259335023 573122788 /nfs/dbraw/zinc/12/27/88/573122788.db2.gz RWGYBGSWMOVDPR-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)NCCC[NH2+]CC(C)(C)C 40495001 573123412 /nfs/dbraw/zinc/12/34/12/573123412.db2.gz PPFKKSSJPVNCEY-UHFFFAOYSA-N 1 3 186.343 2.010 10 0 AEAEHO CC(C)[NH2+]CCCNCC(C)(C)C 40495001 573123420 /nfs/dbraw/zinc/12/34/20/573123420.db2.gz PPFKKSSJPVNCEY-UHFFFAOYSA-N 1 3 186.343 2.010 10 0 AEAEHO CC[C@H](C)N1CC[C@@H]([NH2+]C)C(C)(C)C1 259335028 573124671 /nfs/dbraw/zinc/12/46/71/573124671.db2.gz RWGYBGSWMOVDPR-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@@H+]1CC[C@@H](NC)C(C)(C)C1 259335028 573124678 /nfs/dbraw/zinc/12/46/78/573124678.db2.gz RWGYBGSWMOVDPR-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@H+]1CC[C@@H](NC)C(C)(C)C1 259335028 573124682 /nfs/dbraw/zinc/12/46/82/573124682.db2.gz RWGYBGSWMOVDPR-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH+](C)C(C)(C)[C@H](N)C1CCCCC1 85736604 573125260 /nfs/dbraw/zinc/12/52/60/573125260.db2.gz XPEJXIFSJCJUBR-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO C[NH+](C)C(C)(C)[C@@H](N)C1CCCCC1 85736607 573128824 /nfs/dbraw/zinc/12/88/24/573128824.db2.gz XPEJXIFSJCJUBR-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H]1[C@@H](CN)CCCC[N@@H+]1C(C)C 238283608 573132506 /nfs/dbraw/zinc/13/25/06/573132506.db2.gz KYHLOLPORPKVBQ-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H]1[C@@H](CN)CCCC[N@H+]1C(C)C 238283608 573132512 /nfs/dbraw/zinc/13/25/12/573132512.db2.gz KYHLOLPORPKVBQ-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO NCC1([C@@H]([NH3+])C2CCCCC2)CCC1 259339103 573132866 /nfs/dbraw/zinc/13/28/66/573132866.db2.gz JIJCVRIGCMOULN-NSHDSACASA-N 1 3 196.338 2.023 10 0 AEAEHO NCC1([C@H]([NH3+])C2CCCCC2)CCC1 259339099 573133795 /nfs/dbraw/zinc/13/37/95/573133795.db2.gz JIJCVRIGCMOULN-LLVKDONJSA-N 1 3 196.338 2.023 10 0 AEAEHO CC(C)[C@H](C[C@H]1CCCC[NH2+]1)N(C)C 259343278 573144368 /nfs/dbraw/zinc/14/43/68/573144368.db2.gz FHACDDQCUJUJNO-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[C@H](C[C@H]1CCCCN1)[NH+](C)C 259343278 573144374 /nfs/dbraw/zinc/14/43/74/573144374.db2.gz FHACDDQCUJUJNO-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC1(C)CC[N@@H+](C(C)(C)C)C[C@H]1CN 259346348 573145196 /nfs/dbraw/zinc/14/51/96/573145196.db2.gz SRHITEDZSSWQNH-SNVBAGLBSA-N 1 3 198.354 2.092 10 0 AEAEHO CC1(C)CC[N@H+](C(C)(C)C)C[C@H]1CN 259346348 573145202 /nfs/dbraw/zinc/14/52/02/573145202.db2.gz SRHITEDZSSWQNH-SNVBAGLBSA-N 1 3 198.354 2.092 10 0 AEAEHO CC1(C)CC[N@@H+](C(C)(C)C)C[C@@H]1CN 259346346 573145464 /nfs/dbraw/zinc/14/54/64/573145464.db2.gz SRHITEDZSSWQNH-JTQLQIEISA-N 1 3 198.354 2.092 10 0 AEAEHO CC1(C)CC[N@H+](C(C)(C)C)C[C@@H]1CN 259346346 573145472 /nfs/dbraw/zinc/14/54/72/573145472.db2.gz SRHITEDZSSWQNH-JTQLQIEISA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@@H](C[C@H]1CCCC[NH2+]1)N(C)C 259343286 573148601 /nfs/dbraw/zinc/14/86/01/573148601.db2.gz FHACDDQCUJUJNO-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[C@@H](C[C@H]1CCCCN1)[NH+](C)C 259343286 573148606 /nfs/dbraw/zinc/14/86/06/573148606.db2.gz FHACDDQCUJUJNO-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H]1CCC[N@@H+]1[C@@H]1CCCNCC1 82666588 573150248 /nfs/dbraw/zinc/15/02/48/573150248.db2.gz NOMCBJKOZHQCAY-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H]1CCC[N@H+]1[C@@H]1CCCNCC1 82666588 573150253 /nfs/dbraw/zinc/15/02/53/573150253.db2.gz NOMCBJKOZHQCAY-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO C[N@H+](C1CCCC1)[C@@H]1CCCNCC1 82666655 573150651 /nfs/dbraw/zinc/15/06/51/573150651.db2.gz IDLIHEFVJHIZRI-GFCCVEGCSA-N 1 3 196.338 2.003 10 0 AEAEHO C[N@@H+](C1CCCC1)[C@@H]1CCCNCC1 82666655 573150657 /nfs/dbraw/zinc/15/06/57/573150657.db2.gz IDLIHEFVJHIZRI-GFCCVEGCSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H]1CCC[N@@H+]1[C@@H]1CCCNCC1 82666587 573150704 /nfs/dbraw/zinc/15/07/04/573150704.db2.gz NOMCBJKOZHQCAY-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H]1CCC[N@H+]1[C@@H]1CCCNCC1 82666587 573150709 /nfs/dbraw/zinc/15/07/09/573150709.db2.gz NOMCBJKOZHQCAY-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CC1(C)CCC[N@@H+]1[C@H]1CCCNCC1 82666907 573150809 /nfs/dbraw/zinc/15/08/09/573150809.db2.gz UKMKTSXLYQCTNI-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CCN(CC)CC[C@H]([NH3+])C1CCCC1 85795369 573151337 /nfs/dbraw/zinc/15/13/37/573151337.db2.gz HETLUQVGINYNKD-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCN(CC)CC[C@H]([NH3+])CC1CCC1 85795463 573152099 /nfs/dbraw/zinc/15/20/99/573152099.db2.gz ZORQTVVONPVQIU-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)[C@@H](C)[N@H+](C)[C@@H]1CCCNCC1 82666717 573152266 /nfs/dbraw/zinc/15/22/66/573152266.db2.gz HMGGQKPPFPBSNN-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[C@@H](C)[N@@H+](C)[C@@H]1CCCNCC1 82666717 573152270 /nfs/dbraw/zinc/15/22/70/573152270.db2.gz HMGGQKPPFPBSNN-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[C@H](C)[N@H+](C)[C@@H]1CCCNCC1 82666718 573152381 /nfs/dbraw/zinc/15/23/81/573152381.db2.gz HMGGQKPPFPBSNN-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCCNCC1 82666718 573152384 /nfs/dbraw/zinc/15/23/84/573152384.db2.gz HMGGQKPPFPBSNN-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@@H]1CCCC[N@@H+]1[C@@H]1CCCNCC1 82666595 573152731 /nfs/dbraw/zinc/15/27/31/573152731.db2.gz DVIAKYDZKPHWSC-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H]1CCCC[N@H+]1[C@@H]1CCCNCC1 82666595 573152739 /nfs/dbraw/zinc/15/27/39/573152739.db2.gz DVIAKYDZKPHWSC-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[C@@H]1CCCC[N@@H+]1C[C@@H](C)CN 213092834 573152837 /nfs/dbraw/zinc/15/28/37/573152837.db2.gz VEJZUDXBJJVGQI-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H]1CCCC[N@H+]1C[C@@H](C)CN 213092834 573152844 /nfs/dbraw/zinc/15/28/44/573152844.db2.gz VEJZUDXBJJVGQI-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO C1CCC[NH+]([C@@H]2CCCNCC2)CC1 82666604 573153026 /nfs/dbraw/zinc/15/30/26/573153026.db2.gz UNCOJWVEOJTPDA-GFCCVEGCSA-N 1 3 196.338 2.005 10 0 AEAEHO C[N@H+](C1CCCC1)[C@H]1CCCNCC1 82666656 573153484 /nfs/dbraw/zinc/15/34/84/573153484.db2.gz IDLIHEFVJHIZRI-LBPRGKRZSA-N 1 3 196.338 2.003 10 0 AEAEHO C[N@@H+](C1CCCC1)[C@H]1CCCNCC1 82666656 573153488 /nfs/dbraw/zinc/15/34/88/573153488.db2.gz IDLIHEFVJHIZRI-LBPRGKRZSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H](C[NH2+]CCCN)C1CCCCC1 308506183 573153629 /nfs/dbraw/zinc/15/36/29/573153629.db2.gz FKJUXVHPCCEITI-LLVKDONJSA-N 1 3 198.354 2.141 10 0 AEAEHO CC1(C)CCC[N@@H+]1[C@@H]1CCCNCC1 82666906 573154995 /nfs/dbraw/zinc/15/49/95/573154995.db2.gz UKMKTSXLYQCTNI-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CC1(C)CCC[N@H+]1[C@@H]1CCCNCC1 82666906 573155002 /nfs/dbraw/zinc/15/50/02/573155002.db2.gz UKMKTSXLYQCTNI-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO C1CCC[NH+]([C@H]2CCCNCC2)CC1 82666605 573155023 /nfs/dbraw/zinc/15/50/23/573155023.db2.gz UNCOJWVEOJTPDA-LBPRGKRZSA-N 1 3 196.338 2.005 10 0 AEAEHO C[N@H+](CC(C)(C)C)[C@@H]1CCCNCC1 82666838 573155387 /nfs/dbraw/zinc/15/53/87/573155387.db2.gz UQLDRQSPNFMACR-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO C[N@@H+](CC(C)(C)C)[C@@H]1CCCNCC1 82666838 573155388 /nfs/dbraw/zinc/15/53/88/573155388.db2.gz UQLDRQSPNFMACR-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@H]1CCCC[N@@H+]1[C@@H]1CCCNCC1 82666596 573155448 /nfs/dbraw/zinc/15/54/48/573155448.db2.gz DVIAKYDZKPHWSC-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H]1CCCC[N@H+]1[C@@H]1CCCNCC1 82666596 573155452 /nfs/dbraw/zinc/15/54/52/573155452.db2.gz DVIAKYDZKPHWSC-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H](C[NH2+]CCCN)C1CCCCC1 308506185 573156577 /nfs/dbraw/zinc/15/65/77/573156577.db2.gz FKJUXVHPCCEITI-NSHDSACASA-N 1 3 198.354 2.141 10 0 AEAEHO CC(C)C[NH2+][C@H](C)CCN1CCCC1 308507491 573160877 /nfs/dbraw/zinc/16/08/77/573160877.db2.gz JIUMVJSEIUBPEX-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)C[NH2+][C@@H](C)CCN1CCCC1 308507492 573161909 /nfs/dbraw/zinc/16/19/09/573161909.db2.gz JIUMVJSEIUBPEX-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CN(CCC1CC1)C[C@@H]([NH3+])C(C)(C)C 308507467 573163092 /nfs/dbraw/zinc/16/30/92/573163092.db2.gz JHPUBBIZVXOQFO-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CNC[C@H]1CC[N@H+](C(C)(C)C)C1(C)C 259351257 573167365 /nfs/dbraw/zinc/16/73/65/573167365.db2.gz JSHQJMIFNYHJSM-SNVBAGLBSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@H]1CC[N@@H+](C(C)(C)C)C1(C)C 259351257 573167370 /nfs/dbraw/zinc/16/73/70/573167370.db2.gz JSHQJMIFNYHJSM-SNVBAGLBSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H]1[C@H](CN)CCCC[N@@H+]1C(C)C 238298372 573170221 /nfs/dbraw/zinc/17/02/21/573170221.db2.gz KYHLOLPORPKVBQ-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H]1[C@H](CN)CCCC[N@H+]1C(C)C 238298372 573170227 /nfs/dbraw/zinc/17/02/27/573170227.db2.gz KYHLOLPORPKVBQ-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCC1(C[NH2+]C[C@@H](C)CNC)CC1 232949882 573172195 /nfs/dbraw/zinc/17/21/95/573172195.db2.gz DMMNJADHUOBPEA-NSHDSACASA-N 1 3 198.354 2.012 10 0 AEAEHO C[C@@H](CN)[C@@H](C1CCCCC1)[NH+](C)C 259354037 573174128 /nfs/dbraw/zinc/17/41/28/573174128.db2.gz FSCQJSVWAXFEAC-JQWIXIFHSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](CN)[C@H](C1CCCCC1)[NH+](C)C 259354031 573174224 /nfs/dbraw/zinc/17/42/24/573174224.db2.gz FSCQJSVWAXFEAC-CMPLNLGQSA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(CC)CC[C@@H](C)[NH2+]CC1CC1 308509982 573176351 /nfs/dbraw/zinc/17/63/51/573176351.db2.gz KMHUUQLQXBJNHJ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@H](CN)[C@@H](C1CCCCC1)[NH+](C)C 259354045 573176422 /nfs/dbraw/zinc/17/64/22/573176422.db2.gz FSCQJSVWAXFEAC-PWSUYJOCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(CC)CC[C@H](C)[NH2+]CC1CC1 308509983 573176714 /nfs/dbraw/zinc/17/67/14/573176714.db2.gz KMHUUQLQXBJNHJ-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@H]1CCC[N@H+](CCC(C)(C)N)CC1 82773421 573181917 /nfs/dbraw/zinc/18/19/17/573181917.db2.gz BGSKWTCWUIBBLR-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@H]1CCC[N@@H+](CCC(C)(C)N)CC1 82773421 573181923 /nfs/dbraw/zinc/18/19/23/573181923.db2.gz BGSKWTCWUIBBLR-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)([NH3+])CCN1CCCC(C)(C)C1 82773458 573182199 /nfs/dbraw/zinc/18/21/99/573182199.db2.gz DAJKDVRDBFHHNP-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)(N)CC[NH+]1CCCCCCC1 82772866 573182214 /nfs/dbraw/zinc/18/22/14/573182214.db2.gz JRWPTKRSQIMWOG-UHFFFAOYSA-N 1 3 198.354 2.380 10 0 AEAEHO C[C@H]1CCCCC[N@@H+]1CCC(C)(C)N 82773468 573182254 /nfs/dbraw/zinc/18/22/54/573182254.db2.gz MIPYYUAHVWSHHF-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO C[C@H]1CCCCC[N@H+]1CCC(C)(C)N 82773468 573182259 /nfs/dbraw/zinc/18/22/59/573182259.db2.gz MIPYYUAHVWSHHF-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO C[C@H](CN)[C@H](C1CCCCC1)[NH+](C)C 259356983 573182373 /nfs/dbraw/zinc/18/23/73/573182373.db2.gz FSCQJSVWAXFEAC-ZYHUDNBSSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H]1CC[N@H+](CCC(C)(C)N)[C@H](C)C1 82773332 573182488 /nfs/dbraw/zinc/18/24/88/573182488.db2.gz BFOACAVOJSCQLM-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CC[N@@H+](CCC(C)(C)N)[C@H](C)C1 82773332 573182492 /nfs/dbraw/zinc/18/24/92/573182492.db2.gz BFOACAVOJSCQLM-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CCN(CCC(C)(C)[NH3+])[C@H](C)C1 82773332 573182499 /nfs/dbraw/zinc/18/24/99/573182499.db2.gz BFOACAVOJSCQLM-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@H+](CCC(C)(C)N)CC1CC1 82773145 573182556 /nfs/dbraw/zinc/18/25/56/573182556.db2.gz XSMCBUXLXBORQV-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+](CCC(C)(C)N)CC1CC1 82773145 573182563 /nfs/dbraw/zinc/18/25/63/573182563.db2.gz XSMCBUXLXBORQV-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@H]1C[C@@H](C)C[N@H+](CCC(C)(C)N)C1 82772850 573185306 /nfs/dbraw/zinc/18/53/06/573185306.db2.gz IQABKYVSIGWHAM-PHIMTYICSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H]1C[C@@H](C)C[N@@H+](CCC(C)(C)N)C1 82772850 573185310 /nfs/dbraw/zinc/18/53/10/573185310.db2.gz IQABKYVSIGWHAM-PHIMTYICSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]1CCC[N@H+](CCC(C)(C)N)[C@@H]1C 82773319 573185329 /nfs/dbraw/zinc/18/53/29/573185329.db2.gz ZABXXIYSESVXPA-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]1CCC[N@@H+](CCC(C)(C)N)[C@@H]1C 82773319 573185333 /nfs/dbraw/zinc/18/53/33/573185333.db2.gz ZABXXIYSESVXPA-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]1CC[N@H+](CCC(C)(C)N)[C@H](C)C1 82773331 573185503 /nfs/dbraw/zinc/18/55/03/573185503.db2.gz BFOACAVOJSCQLM-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@@H+](CC(C)C)[C@H]1CC[C@H](N)C1 308514819 573190299 /nfs/dbraw/zinc/19/02/99/573190299.db2.gz UNZNWNSNBKKVQZ-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]1CC[N@@H+](CCC(C)(C)N)[C@H](C)C1 82773331 573185507 /nfs/dbraw/zinc/18/55/07/573185507.db2.gz BFOACAVOJSCQLM-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]1CCN(CCC(C)(C)[NH3+])[C@H](C)C1 82773331 573185510 /nfs/dbraw/zinc/18/55/10/573185510.db2.gz BFOACAVOJSCQLM-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]1C[C@@H](C)C[NH+](CCC(C)(C)N)C1 82772852 573185637 /nfs/dbraw/zinc/18/56/37/573185637.db2.gz IQABKYVSIGWHAM-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H]1C[C@H](C)C[NH+](CCC(C)(C)N)C1 82772851 573185752 /nfs/dbraw/zinc/18/57/52/573185752.db2.gz IQABKYVSIGWHAM-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]1CCC[N@H+](CCC(C)(C)N)CC1 82773420 573185807 /nfs/dbraw/zinc/18/58/07/573185807.db2.gz BGSKWTCWUIBBLR-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H]1CCC[N@@H+](CCC(C)(C)N)CC1 82773420 573185811 /nfs/dbraw/zinc/18/58/11/573185811.db2.gz BGSKWTCWUIBBLR-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CN(CCC(C)(C)[NH3+])CC(C)(C)C 82773278 573185855 /nfs/dbraw/zinc/18/58/55/573185855.db2.gz NQCGIKZFTGFEKD-UHFFFAOYSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[N@H+](CC(C)C)[C@@H]1CC[C@@H](N)C1 308514821 573185860 /nfs/dbraw/zinc/18/58/60/573185860.db2.gz UNZNWNSNBKKVQZ-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO C[N@H+](CCC(C)(C)N)CC(C)(C)C 82773278 573185861 /nfs/dbraw/zinc/18/58/61/573185861.db2.gz NQCGIKZFTGFEKD-UHFFFAOYSA-N 1 3 186.343 2.092 10 0 AEAEHO C[N@@H+](CCC(C)(C)N)CC(C)(C)C 82773278 573185865 /nfs/dbraw/zinc/18/58/65/573185865.db2.gz NQCGIKZFTGFEKD-UHFFFAOYSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[N@@H+](CC(C)C)[C@@H]1CC[C@@H](N)C1 308514821 573185867 /nfs/dbraw/zinc/18/58/67/573185867.db2.gz UNZNWNSNBKKVQZ-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CCC[C@@H](C)[N@@H+]1CCC(C)(C)N 82777063 573188571 /nfs/dbraw/zinc/18/85/71/573188571.db2.gz SRSMGJRIXVDDFJ-PHIMTYICSA-N 1 3 198.354 2.377 10 0 AEAEHO C[C@H]1CCC[C@@H](C)[N@H+]1CCC(C)(C)N 82777063 573188577 /nfs/dbraw/zinc/18/85/77/573188577.db2.gz SRSMGJRIXVDDFJ-PHIMTYICSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC[N@H+](CC(C)C)[C@@H]1CC[C@H](N)C1 308514818 573189681 /nfs/dbraw/zinc/18/96/81/573189681.db2.gz UNZNWNSNBKKVQZ-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@@H+](CC(C)C)[C@@H]1CC[C@H](N)C1 308514818 573189686 /nfs/dbraw/zinc/18/96/86/573189686.db2.gz UNZNWNSNBKKVQZ-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]1CCC[C@@H](C)[NH+]1CCC(C)(C)N 82777065 573189718 /nfs/dbraw/zinc/18/97/18/573189718.db2.gz SRSMGJRIXVDDFJ-GHMZBOCLSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC[N@H+](CC(C)C)[C@H]1CC[C@H](N)C1 308514819 573190289 /nfs/dbraw/zinc/19/02/89/573190289.db2.gz UNZNWNSNBKKVQZ-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CCC[C@H](C)[NH+]1CCC(C)(C)N 82777064 573190431 /nfs/dbraw/zinc/19/04/31/573190431.db2.gz SRSMGJRIXVDDFJ-QWRGUYRKSA-N 1 3 198.354 2.377 10 0 AEAEHO CC(C)(C)C[NH2+]CC[C@H]1CCCCN1 259037328 573190940 /nfs/dbraw/zinc/19/09/40/573190940.db2.gz PEHDZZZBDWZCIO-LLVKDONJSA-N 1 3 198.354 2.154 10 0 AEAEHO CC1(NC[C@H]2CCCC[NH2+]2)CCCC1 82785914 573191752 /nfs/dbraw/zinc/19/17/52/573191752.db2.gz SERRSNCIXKMVIH-LLVKDONJSA-N 1 3 196.338 2.051 10 0 AEAEHO CCN[C@@H]1CC[N@@H+](C2(C)CCCC2)C1 82785583 573191930 /nfs/dbraw/zinc/19/19/30/573191930.db2.gz SSHVQQMIWWOZGZ-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCN[C@@H]1CC[N@H+](C2(C)CCCC2)C1 82785583 573191936 /nfs/dbraw/zinc/19/19/36/573191936.db2.gz SSHVQQMIWWOZGZ-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)(C)C[NH2+]CC[C@@H]1CCCCN1 259037330 573192228 /nfs/dbraw/zinc/19/22/28/573192228.db2.gz PEHDZZZBDWZCIO-NSHDSACASA-N 1 3 198.354 2.154 10 0 AEAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1C1(C)CCCC1 82785572 573193985 /nfs/dbraw/zinc/19/39/85/573193985.db2.gz GXFCUBAZHPWCAA-GHMZBOCLSA-N 1 3 196.338 2.131 10 0 AEAEHO CC1([NH+]2CCCNCCC2)CCCC1 82785669 573193391 /nfs/dbraw/zinc/19/33/91/573193391.db2.gz NNQNMQHOBQOFEN-UHFFFAOYSA-N 1 3 196.338 2.005 10 0 AEAEHO C[C@@H]1C[C@H](N)CC[N@H+]1C1(C)CCCC1 82785572 573193990 /nfs/dbraw/zinc/19/39/90/573193990.db2.gz GXFCUBAZHPWCAA-GHMZBOCLSA-N 1 3 196.338 2.131 10 0 AEAEHO C[C@@H](N)C[C@H](C1CCCCC1)[NH+](C)C 259366688 573193609 /nfs/dbraw/zinc/19/36/09/573193609.db2.gz GBVVCNXTBCCSJU-ZYHUDNBSSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]([NH3+])C[C@H](C1CCCCC1)N(C)C 259366688 573193613 /nfs/dbraw/zinc/19/36/13/573193613.db2.gz GBVVCNXTBCCSJU-ZYHUDNBSSA-N 1 3 198.354 2.234 10 0 AEAEHO CC1(NC[C@]2(C)CCC[NH2+]2)CCCC1 82785830 573193876 /nfs/dbraw/zinc/19/38/76/573193876.db2.gz AFLBLIUNZMZMDE-LBPRGKRZSA-N 1 3 196.338 2.051 10 0 AEAEHO CC1([NH2+]C[C@]2(C)CCCN2)CCCC1 82785830 573193887 /nfs/dbraw/zinc/19/38/87/573193887.db2.gz AFLBLIUNZMZMDE-LBPRGKRZSA-N 1 3 196.338 2.051 10 0 AEAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1C1(C)CCCC1 82785575 573194726 /nfs/dbraw/zinc/19/47/26/573194726.db2.gz GXFCUBAZHPWCAA-QWRGUYRKSA-N 1 3 196.338 2.131 10 0 AEAEHO C[C@H]1C[C@@H](N)CC[N@H+]1C1(C)CCCC1 82785575 573194733 /nfs/dbraw/zinc/19/47/33/573194733.db2.gz GXFCUBAZHPWCAA-QWRGUYRKSA-N 1 3 196.338 2.131 10 0 AEAEHO CN[C@@](C)(C(C)C)[NH+]1CCCCC1 238309990 573195097 /nfs/dbraw/zinc/19/50/97/573195097.db2.gz GOWKCJPKBINGAA-LLVKDONJSA-N 1 3 184.327 2.064 10 0 AEAEHO C[NH2+][C@H](C1CCCCC1)C(C)(C)CN 259366895 573197634 /nfs/dbraw/zinc/19/76/34/573197634.db2.gz LHXMGMXHXJEHCO-LLVKDONJSA-N 1 3 198.354 2.140 10 0 AEAEHO C[NH2+][C@@H](C1CCCCC1)C(C)(C)CN 259366899 573197829 /nfs/dbraw/zinc/19/78/29/573197829.db2.gz LHXMGMXHXJEHCO-NSHDSACASA-N 1 3 198.354 2.140 10 0 AEAEHO C[C@@H](N)C[C@@H](C1CCCCC1)[NH+](C)C 259366683 573198031 /nfs/dbraw/zinc/19/80/31/573198031.db2.gz GBVVCNXTBCCSJU-PWSUYJOCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]([NH3+])C[C@@H](C1CCCCC1)N(C)C 259366683 573198032 /nfs/dbraw/zinc/19/80/32/573198032.db2.gz GBVVCNXTBCCSJU-PWSUYJOCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](N)C[C@@H](C)[NH+]1CCCCCCC1 82801127 573201759 /nfs/dbraw/zinc/20/17/59/573201759.db2.gz MAMWEENYUIUVRH-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO CN[C@](C)(C(C)C)[NH+]1CCCCC1 238311690 573202093 /nfs/dbraw/zinc/20/20/93/573202093.db2.gz GOWKCJPKBINGAA-NSHDSACASA-N 1 3 184.327 2.064 10 0 AEAEHO C[C@H](N)C[C@H](C)[NH+]1CCCCCCC1 82801128 573204302 /nfs/dbraw/zinc/20/43/02/573204302.db2.gz MAMWEENYUIUVRH-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[NH+](CCC)[C@H](C)C[C@@H](C)N 82800997 573203759 /nfs/dbraw/zinc/20/37/59/573203759.db2.gz WBWGLBQCGQQZNB-GHMZBOCLSA-N 1 3 186.343 2.234 10 0 AEAEHO C[C@@H](C[C@@H](C)N)[NH+]1CCCCCCC1 82801129 573204035 /nfs/dbraw/zinc/20/40/35/573204035.db2.gz MAMWEENYUIUVRH-NEPJUHHUSA-N 1 3 198.354 2.378 10 0 AEAEHO C[C@H](N)C[C@@H](C)[NH+]1CCC(C)(C)CC1 82802254 573206088 /nfs/dbraw/zinc/20/60/88/573206088.db2.gz VZQSJODCPMKCSS-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)C[C@@H](C)[N@@H+]1CCCC(C)(C)C1 82803346 573206359 /nfs/dbraw/zinc/20/63/59/573206359.db2.gz SVMIXKIBIVHWBD-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)C[C@@H](C)[N@H+]1CCCC(C)(C)C1 82803346 573206361 /nfs/dbraw/zinc/20/63/61/573206361.db2.gz SVMIXKIBIVHWBD-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CCN(CC)[C@H]1[C@@H]([NH3+])C[C@@H](C)C[C@H]1C 82829520 573214684 /nfs/dbraw/zinc/21/46/84/573214684.db2.gz FRCLNPIMQVZTCD-WHOHXGKFSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC[C@@H](C)NC[C@@]1(C)CCCC[NH2+]1 308525625 573231176 /nfs/dbraw/zinc/23/11/76/573231176.db2.gz IXFYGYWVCNVTFU-VXGBXAGGSA-N 1 3 198.354 2.297 10 0 AEAEHO CCC[C@@H](C)NC[C@]1(C)CCCC[NH2+]1 308525617 573231219 /nfs/dbraw/zinc/23/12/19/573231219.db2.gz IXFYGYWVCNVTFU-NEPJUHHUSA-N 1 3 198.354 2.297 10 0 AEAEHO CCC[C@H](C)NC[C@@]1(C)CCCC[NH2+]1 308525621 573233459 /nfs/dbraw/zinc/23/34/59/573233459.db2.gz IXFYGYWVCNVTFU-NWDGAFQWSA-N 1 3 198.354 2.297 10 0 AEAEHO C[C@@H]1CC[C@H]1[NH2+]CC[C@H](N)C(C)(C)C 308527600 573238225 /nfs/dbraw/zinc/23/82/25/573238225.db2.gz JRQDUUPFVAHTOX-MXWKQRLJSA-N 1 3 198.354 2.138 10 0 AEAEHO C[C@@H]1CC[C@@H]1[NH2+]CC[C@@H](N)C(C)(C)C 308527601 573238562 /nfs/dbraw/zinc/23/85/62/573238562.db2.gz JRQDUUPFVAHTOX-OUAUKWLOSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@H](C)C[NH2+][C@H]1CC[C@H](N(C)C)C1 129150463 573241655 /nfs/dbraw/zinc/24/16/55/573241655.db2.gz WACXLMBQIPZNRS-SRVKXCTJSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)CN(C)[C@@H](C)CC(N)=[NH2+] 129158827 573241777 /nfs/dbraw/zinc/24/17/77/573241777.db2.gz MZDVUXXCNLLEHX-VIFPVBQESA-N 1 3 199.342 2.069 10 0 AEAEHO CC(C)CC[NH2+]CC[C@H]1CCCCN1 258605517 573243927 /nfs/dbraw/zinc/24/39/27/573243927.db2.gz ANVNVJUWSBMFBI-GFCCVEGCSA-N 1 3 198.354 2.154 10 0 AEAEHO CCN(CC)CC[C@H]([NH3+])C=C(C)C 86059085 573245034 /nfs/dbraw/zinc/24/50/34/573245034.db2.gz WRMRFEXTINEXRZ-NSHDSACASA-N 1 3 184.327 2.012 10 0 AEAEHO CCN(CC)CC[C@@H](C)[NH2+]C1CCC1 308523060 573245187 /nfs/dbraw/zinc/24/51/87/573245187.db2.gz PSXJUFBBLJNQHM-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC(CC)[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749060 573253686 /nfs/dbraw/zinc/25/36/86/573253686.db2.gz FXYVNBAECWVEFP-CLYYMRHHSA-N 1 3 196.338 2.129 10 0 AEAEHO CCC(CC)[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749060 573253692 /nfs/dbraw/zinc/25/36/92/573253692.db2.gz FXYVNBAECWVEFP-CLYYMRHHSA-N 1 3 196.338 2.129 10 0 AEAEHO C[C@H]([N@@H+](C)CC[C@@H](C)N)C(C)(C)C 42747238 573253146 /nfs/dbraw/zinc/25/31/46/573253146.db2.gz QHBMPSCAYFVZOJ-ZJUUUORDSA-N 1 3 186.343 2.090 10 0 AEAEHO C[C@H]([N@H+](C)CC[C@@H](C)N)C(C)(C)C 42747238 573253154 /nfs/dbraw/zinc/25/31/54/573253154.db2.gz QHBMPSCAYFVZOJ-ZJUUUORDSA-N 1 3 186.343 2.090 10 0 AEAEHO C[C@H](N(C)CC[C@@H](C)[NH3+])C(C)(C)C 42747238 573253163 /nfs/dbraw/zinc/25/31/63/573253163.db2.gz QHBMPSCAYFVZOJ-ZJUUUORDSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[N@H+](C)C[C@@H](N)CC1CCCCC1 308530506 573254311 /nfs/dbraw/zinc/25/43/11/573254311.db2.gz KAGJBWLUCPUQLP-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[N@@H+](C)C[C@@H](N)CC1CCCCC1 308530506 573254316 /nfs/dbraw/zinc/25/43/16/573254316.db2.gz KAGJBWLUCPUQLP-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H]1CC[C@@H]1NCCC[NH2+]C(C)(C)C 308529443 573254488 /nfs/dbraw/zinc/25/44/88/573254488.db2.gz KIXUFFKVAAJWGF-MNOVXSKESA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@@H]1CC[C@@H]1[NH2+]CCCNC(C)(C)C 308529443 573254491 /nfs/dbraw/zinc/25/44/91/573254491.db2.gz KIXUFFKVAAJWGF-MNOVXSKESA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)c1ccc([C@H](N)CC[NH3+])cc1 259394708 573254566 /nfs/dbraw/zinc/25/45/66/573254566.db2.gz NTSFJPAHLHDWKE-GFCCVEGCSA-N 1 3 192.306 2.159 10 0 AEAEHO CCC[NH2+]CCCNCC1(CC)CC1 308529428 573254590 /nfs/dbraw/zinc/25/45/90/573254590.db2.gz KIHHREAWFZXMJE-UHFFFAOYSA-N 1 3 198.354 2.156 10 0 AEAEHO CCCNCCC[NH2+]CC1(CC)CC1 308529428 573254598 /nfs/dbraw/zinc/25/45/98/573254598.db2.gz KIHHREAWFZXMJE-UHFFFAOYSA-N 1 3 198.354 2.156 10 0 AEAEHO CCCC(C)(C)CN[C@H]1CCC[NH2+]C1 259053879 573254909 /nfs/dbraw/zinc/25/49/09/573254909.db2.gz PYECYXYVIGRZTO-NSHDSACASA-N 1 3 198.354 2.154 10 0 AEAEHO C[C@H]1CC[C@H]1NCCC[NH2+]C(C)(C)C 308529445 573255110 /nfs/dbraw/zinc/25/51/10/573255110.db2.gz KIXUFFKVAAJWGF-WDEREUQCSA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@H]1CC[C@H]1[NH2+]CCCNC(C)(C)C 308529445 573255117 /nfs/dbraw/zinc/25/51/17/573255117.db2.gz KIXUFFKVAAJWGF-WDEREUQCSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCC(C)(C)CN[C@@H]1CCC[NH2+]C1 259053877 573256472 /nfs/dbraw/zinc/25/64/72/573256472.db2.gz PYECYXYVIGRZTO-LLVKDONJSA-N 1 3 198.354 2.154 10 0 AEAEHO CCCCC[N@H+]1C[C@@H](NC)CC1(C)C 259397301 573259800 /nfs/dbraw/zinc/25/98/00/573259800.db2.gz MBKNDZTUQABTIS-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[C@H](C)[N@@H+]1CC[C@H](N)[C@H](C)C1 50889022 573259793 /nfs/dbraw/zinc/25/97/93/573259793.db2.gz BVFZNABECZYVRM-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCCC[N@@H+]1C[C@@H](NC)CC1(C)C 259397301 573259796 /nfs/dbraw/zinc/25/97/96/573259796.db2.gz MBKNDZTUQABTIS-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[C@H](C)[N@H+]1CC[C@H](N)[C@H](C)C1 50889022 573259797 /nfs/dbraw/zinc/25/97/97/573259797.db2.gz BVFZNABECZYVRM-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCC[C@H](C)N1CC[C@H]([NH3+])[C@H](C)C1 50889022 573259806 /nfs/dbraw/zinc/25/98/06/573259806.db2.gz BVFZNABECZYVRM-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCC[C@H](C)N1CCC([NH2+]C)CC1 50889002 573260134 /nfs/dbraw/zinc/26/01/34/573260134.db2.gz FQMLMEGXNXIVMX-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[C@H](C)[NH+]1CCC(NC)CC1 50889002 573260140 /nfs/dbraw/zinc/26/01/40/573260140.db2.gz FQMLMEGXNXIVMX-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)[C@@H](N)CC[NH2+]C1CCCCC1 129219095 573260424 /nfs/dbraw/zinc/26/04/24/573260424.db2.gz VQVICBKZTCHUCF-LBPRGKRZSA-N 1 3 198.354 2.282 10 0 AEAEHO CC(C)(C)C(C)(C)C[NH2+]C1CC(N)C1 308531335 573263771 /nfs/dbraw/zinc/26/37/71/573263771.db2.gz ASJWYYDHXOOMEP-UHFFFAOYSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)(C)C(C)(C)CNC1CC([NH3+])C1 308531335 573263775 /nfs/dbraw/zinc/26/37/75/573263775.db2.gz ASJWYYDHXOOMEP-UHFFFAOYSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[N@H+](CC[C@@H](N)C(C)C)CC1CC1 129276015 573267782 /nfs/dbraw/zinc/26/77/82/573267782.db2.gz PVIYXCYRHKQRGR-GFCCVEGCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](CC[C@@H](N)C(C)C)CC1CC1 129276015 573267788 /nfs/dbraw/zinc/26/77/88/573267788.db2.gz PVIYXCYRHKQRGR-GFCCVEGCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(CC[C@@H]([NH3+])C(C)C)CC1CC1 129276015 573267794 /nfs/dbraw/zinc/26/77/94/573267794.db2.gz PVIYXCYRHKQRGR-GFCCVEGCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCCC[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40750340 573269728 /nfs/dbraw/zinc/26/97/28/573269728.db2.gz HYQFENNVLKLENE-YOGCLGLASA-N 1 3 196.338 2.131 10 0 AEAEHO CCCCC[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40750340 573269736 /nfs/dbraw/zinc/26/97/36/573269736.db2.gz HYQFENNVLKLENE-YOGCLGLASA-N 1 3 196.338 2.131 10 0 AEAEHO CC[C@@]1(C[C@H]2CCC[NH2+]2)CCCCN1 258273799 573270148 /nfs/dbraw/zinc/27/01/48/573270148.db2.gz SBXCCRKKYCMAON-NEPJUHHUSA-N 1 3 196.338 2.051 10 0 AEAEHO CC[C@@H](CNC)[C@H]([NH2+]C)C1CCCC1 259065704 573278242 /nfs/dbraw/zinc/27/82/42/573278242.db2.gz BOAYRZRLCCQBFO-JQWIXIFHSA-N 1 3 198.354 2.010 10 0 AEAEHO N[C@@H]1CCCC[C@@H]1C[NH2+]C1CCCC1 82922271 573280537 /nfs/dbraw/zinc/28/05/37/573280537.db2.gz OERNCUJCRBDSHI-ZYHUDNBSSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@H](CNC)[C@H]([NH2+]C)C1CCCC1 259065707 573281381 /nfs/dbraw/zinc/28/13/81/573281381.db2.gz BOAYRZRLCCQBFO-PWSUYJOCSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)[C@@H]([NH3+])CCN[C@H]1CCC1(C)C 308539695 573282028 /nfs/dbraw/zinc/28/20/28/573282028.db2.gz NKLIAGPMSMJVAW-QWRGUYRKSA-N 1 3 198.354 2.138 10 0 AEAEHO CC1([NH2+]C[C@H]2CCC[C@H]2N)CCCC1 82922611 573282251 /nfs/dbraw/zinc/28/22/51/573282251.db2.gz IGIZGDGWQPYHBO-GHMZBOCLSA-N 1 3 196.338 2.036 10 0 AEAEHO N[C@@H]1CCCC[C@H]1C[NH2+]C1CCCC1 82922270 573282299 /nfs/dbraw/zinc/28/22/99/573282299.db2.gz OERNCUJCRBDSHI-CMPLNLGQSA-N 1 3 196.338 2.036 10 0 AEAEHO N[C@H]1CCCC[C@@H]1C[NH2+]C1CCCC1 82922269 573282636 /nfs/dbraw/zinc/28/26/36/573282636.db2.gz OERNCUJCRBDSHI-PWSUYJOCSA-N 1 3 196.338 2.036 10 0 AEAEHO CC1([NH2+]C[C@@H]2CCC[C@H]2N)CCCC1 82922610 573282663 /nfs/dbraw/zinc/28/26/63/573282663.db2.gz IGIZGDGWQPYHBO-WDEREUQCSA-N 1 3 196.338 2.036 10 0 AEAEHO CC(C)[C@@H](N)CC[NH2+][C@@H]1CCC1(C)C 308539696 573283317 /nfs/dbraw/zinc/28/33/17/573283317.db2.gz NKLIAGPMSMJVAW-WDEREUQCSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)[C@@H]([NH3+])CCN[C@@H]1CCC1(C)C 308539696 573283323 /nfs/dbraw/zinc/28/33/23/573283323.db2.gz NKLIAGPMSMJVAW-WDEREUQCSA-N 1 3 198.354 2.138 10 0 AEAEHO N[C@H]1CCC[C@H]1C[NH2+]C1CCCCC1 82922201 573283412 /nfs/dbraw/zinc/28/34/12/573283412.db2.gz UBFZCHBPAXMWGU-JQWIXIFHSA-N 1 3 196.338 2.036 10 0 AEAEHO CCN[C@H](C)CC[NH2+][C@H]1CC[C@H](C)C1 129419394 573284163 /nfs/dbraw/zinc/28/41/63/573284163.db2.gz SINDLKGQRMSRKK-TUAOUCFPSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCCN(C)CC1(C[NH2+]C)CCC1 258621054 573285970 /nfs/dbraw/zinc/28/59/70/573285970.db2.gz JONJYNBPORSMOA-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[C@@](C)([NH3+])CN[C@H]1CCC1(C)C 308541451 573286710 /nfs/dbraw/zinc/28/67/10/573286710.db2.gz OCHGZFDKAGNYCX-CMPLNLGQSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCC[C@@H](C)NCC[NH2+]C(C)C 50889967 573287120 /nfs/dbraw/zinc/28/71/20/573287120.db2.gz FPZNZBSRNJTLMV-LLVKDONJSA-N 1 3 186.343 2.153 10 0 AEAEHO CCC[C@H](N)CC[NH2+][C@@H]1CC[C@H](C)C1 129430222 573287121 /nfs/dbraw/zinc/28/71/21/573287121.db2.gz KOTVXORBQRNAAI-SDDRHHMPSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCC[C@H](C)NCC[NH2+]C(C)C 50889968 573289160 /nfs/dbraw/zinc/28/91/60/573289160.db2.gz FPZNZBSRNJTLMV-NSHDSACASA-N 1 3 186.343 2.153 10 0 AEAEHO CCCC[C@@H](C)NCC[C@@H]1CCC[NH2+]1 50889994 573290979 /nfs/dbraw/zinc/29/09/79/573290979.db2.gz CRLWKZSDXUJJIO-NEPJUHHUSA-N 1 3 198.354 2.297 10 0 AEAEHO CCC[C@](C)([NH3+])CN[C@H]1CCC1(C)C 308541452 573291368 /nfs/dbraw/zinc/29/13/68/573291368.db2.gz OCHGZFDKAGNYCX-JQWIXIFHSA-N 1 3 198.354 2.282 10 0 AEAEHO CCC[C@@](C)([NH3+])CN[C@@H]1CCC1(C)C 308541454 573291213 /nfs/dbraw/zinc/29/12/13/573291213.db2.gz OCHGZFDKAGNYCX-ZYHUDNBSSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCC[C@@H](C)NCC[C@H]1CCC[NH2+]1 50889996 573292800 /nfs/dbraw/zinc/29/28/00/573292800.db2.gz CRLWKZSDXUJJIO-VXGBXAGGSA-N 1 3 198.354 2.297 10 0 AEAEHO CC[C@@H](C)[N@@H+]1C[C@H](CNC)CC1(C)C 259405167 573295273 /nfs/dbraw/zinc/29/52/73/573295273.db2.gz MOELFELDAZYYSL-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[N@H+]1C[C@H](CNC)CC1(C)C 259405167 573295276 /nfs/dbraw/zinc/29/52/76/573295276.db2.gz MOELFELDAZYYSL-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCCC[C@H](C)NCC[C@H]1CCC[NH2+]1 50889997 573295039 /nfs/dbraw/zinc/29/50/39/573295039.db2.gz CRLWKZSDXUJJIO-NWDGAFQWSA-N 1 3 198.354 2.297 10 0 AEAEHO CCCC[C@H](C)[NH+]1CCCNCCC1 50890873 573297542 /nfs/dbraw/zinc/29/75/42/573297542.db2.gz UTEYNNSOOMBEEB-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[C@H](C)[C@@H]1C[N@@H+](C(C)C)CCCN1 82941175 573299904 /nfs/dbraw/zinc/29/99/04/573299904.db2.gz HSYIJBRJSNJJHM-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[C@@H]1C[N@H+](C(C)C)CCCN1 82941175 573299908 /nfs/dbraw/zinc/29/99/08/573299908.db2.gz HSYIJBRJSNJJHM-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@@H+]1C[C@@H](CNC)CC1(C)C 259405173 573299915 /nfs/dbraw/zinc/29/99/15/573299915.db2.gz MOELFELDAZYYSL-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[C@@H]1CN(C(C)C)CCC[NH2+]1 82941175 573299916 /nfs/dbraw/zinc/29/99/16/573299916.db2.gz HSYIJBRJSNJJHM-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@H+]1C[C@@H](CNC)CC1(C)C 259405173 573299922 /nfs/dbraw/zinc/29/99/22/573299922.db2.gz MOELFELDAZYYSL-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCC[C@@H](C)[NH+]1CCCNCCC1 50890872 573299925 /nfs/dbraw/zinc/29/99/25/573299925.db2.gz UTEYNNSOOMBEEB-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCN(CC(C)(C)C)[C@@H](C)CC(N)=[NH2+] 308547626 573299950 /nfs/dbraw/zinc/29/99/50/573299950.db2.gz WEUVTCXQEYAEIE-VIFPVBQESA-N 1 3 199.342 2.069 10 0 AEAEHO CC[C@H](C)[C@H]1C[N@@H+](C(C)C)CCCN1 82941178 573300073 /nfs/dbraw/zinc/30/00/73/573300073.db2.gz HSYIJBRJSNJJHM-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[C@H]1C[N@H+](C(C)C)CCCN1 82941178 573300078 /nfs/dbraw/zinc/30/00/78/573300078.db2.gz HSYIJBRJSNJJHM-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[C@H]1CN(C(C)C)CCC[NH2+]1 82941178 573300084 /nfs/dbraw/zinc/30/00/84/573300084.db2.gz HSYIJBRJSNJJHM-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@@H+]1C[C@H](CNC)CC1(C)C 259405170 573300187 /nfs/dbraw/zinc/30/01/87/573300187.db2.gz MOELFELDAZYYSL-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@H+]1C[C@H](CNC)CC1(C)C 259405170 573300194 /nfs/dbraw/zinc/30/01/94/573300194.db2.gz MOELFELDAZYYSL-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN(CC(C)(C)C)[C@H](C)CC(N)=[NH2+] 308547625 573300741 /nfs/dbraw/zinc/30/07/41/573300741.db2.gz WEUVTCXQEYAEIE-SECBINFHSA-N 1 3 199.342 2.069 10 0 AEAEHO CC[C@H](C)[N@@H+]1C[C@H](CN)CCC1(C)C 259409982 573301958 /nfs/dbraw/zinc/30/19/58/573301958.db2.gz MTWBLTGSSOILOY-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@H+]1C[C@H](CN)CCC1(C)C 259409982 573301963 /nfs/dbraw/zinc/30/19/63/573301963.db2.gz MTWBLTGSSOILOY-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](C)[N@@H+]1C[C@H](CN)CCC1(C)C 259409981 573304298 /nfs/dbraw/zinc/30/42/98/573304298.db2.gz MTWBLTGSSOILOY-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](C)[N@H+]1C[C@H](CN)CCC1(C)C 259409981 573304301 /nfs/dbraw/zinc/30/43/01/573304301.db2.gz MTWBLTGSSOILOY-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](C)[C@H]1C[N@@H+](C(C)C)CCCN1 82941177 573305608 /nfs/dbraw/zinc/30/56/08/573305608.db2.gz HSYIJBRJSNJJHM-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[C@H]1C[N@H+](C(C)C)CCCN1 82941177 573305615 /nfs/dbraw/zinc/30/56/15/573305615.db2.gz HSYIJBRJSNJJHM-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[C@H]1CN(C(C)C)CCC[NH2+]1 82941177 573305619 /nfs/dbraw/zinc/30/56/19/573305619.db2.gz HSYIJBRJSNJJHM-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[C@@H]1C[N@@H+](C(C)C)CCCN1 82941173 573306317 /nfs/dbraw/zinc/30/63/17/573306317.db2.gz HSYIJBRJSNJJHM-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[C@@H]1C[N@H+](C(C)C)CCCN1 82941173 573306321 /nfs/dbraw/zinc/30/63/21/573306321.db2.gz HSYIJBRJSNJJHM-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[C@@H]1CN(C(C)C)CCC[NH2+]1 82941173 573306327 /nfs/dbraw/zinc/30/63/27/573306327.db2.gz HSYIJBRJSNJJHM-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@@H+]1C[C@H](C(C)(C)C)NCC[C@@H]1C 82943254 573307099 /nfs/dbraw/zinc/30/70/99/573307099.db2.gz HFIMOQAUYWGOMB-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@H+]1C[C@H](C(C)(C)C)NCC[C@@H]1C 82943254 573307104 /nfs/dbraw/zinc/30/71/04/573307104.db2.gz HFIMOQAUYWGOMB-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN1C[C@H](C(C)(C)C)[NH2+]CC[C@@H]1C 82943254 573307107 /nfs/dbraw/zinc/30/71/07/573307107.db2.gz HFIMOQAUYWGOMB-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@H](C)C[C@@H](C)N(C)CCC1CC1 393661143 573307179 /nfs/dbraw/zinc/30/71/79/573307179.db2.gz WOFRAIKWWCMDNM-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H](C)C[C@@H](C)[N@H+](C)CCC1CC1 393661143 573307182 /nfs/dbraw/zinc/30/71/82/573307182.db2.gz WOFRAIKWWCMDNM-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H](C)C[C@@H](C)[N@@H+](C)CCC1CC1 393661143 573307189 /nfs/dbraw/zinc/30/71/89/573307189.db2.gz WOFRAIKWWCMDNM-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@H](C)C[C@H](C)N(C)CCC1CC1 393661144 573307459 /nfs/dbraw/zinc/30/74/59/573307459.db2.gz WOFRAIKWWCMDNM-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H](C)C[C@H](C)[N@H+](C)CCC1CC1 393661144 573307461 /nfs/dbraw/zinc/30/74/61/573307461.db2.gz WOFRAIKWWCMDNM-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H](C)C[C@H](C)[N@@H+](C)CCC1CC1 393661144 573307468 /nfs/dbraw/zinc/30/74/68/573307468.db2.gz WOFRAIKWWCMDNM-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](CNC)C[N@H+](C)C1CCCC1 259082435 573308849 /nfs/dbraw/zinc/30/88/49/573308849.db2.gz VHQBUILTUDVSFD-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](CNC)C[N@@H+](C)C1CCCC1 259082435 573308856 /nfs/dbraw/zinc/30/88/56/573308856.db2.gz VHQBUILTUDVSFD-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](CNC)C[N@H+](C)C1CCCC1 259082432 573309211 /nfs/dbraw/zinc/30/92/11/573309211.db2.gz VHQBUILTUDVSFD-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](CNC)C[N@@H+](C)C1CCCC1 259082432 573309220 /nfs/dbraw/zinc/30/92/20/573309220.db2.gz VHQBUILTUDVSFD-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN1C[C@@H](CC(C)C)[NH2+]CC[C@@H]1C 82942760 573309357 /nfs/dbraw/zinc/30/93/57/573309357.db2.gz PHXGJOYXSSDKGE-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@@H+]1C[C@@H](CC(C)C)NCC[C@@H]1C 82942760 573309363 /nfs/dbraw/zinc/30/93/63/573309363.db2.gz PHXGJOYXSSDKGE-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@H+]1C[C@@H](CC(C)C)NCC[C@@H]1C 82942760 573309371 /nfs/dbraw/zinc/30/93/71/573309371.db2.gz PHXGJOYXSSDKGE-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[N@@H+]1CCCN[C@H](C(C)(C)C)C1 82941771 573310775 /nfs/dbraw/zinc/31/07/75/573310775.db2.gz RPLHAIKAWXNQSP-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[N@H+]1CCCN[C@H](C(C)(C)C)C1 82941771 573310781 /nfs/dbraw/zinc/31/07/81/573310781.db2.gz RPLHAIKAWXNQSP-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)N1CCC[NH2+][C@H](C(C)(C)C)C1 82941771 573310785 /nfs/dbraw/zinc/31/07/85/573310785.db2.gz RPLHAIKAWXNQSP-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[C@@H]1C[N@@H+](CC)[C@H](C)CCN1 82942350 573310926 /nfs/dbraw/zinc/31/09/26/573310926.db2.gz SVAVMMCJSOOBME-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@H+]1C[C@@H](C(C)(C)C)NCC[C@@H]1C 82943257 573311700 /nfs/dbraw/zinc/31/17/00/573311700.db2.gz HFIMOQAUYWGOMB-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@@H+]1CCCN[C@H](C(C)(C)C)C1 82941777 573310565 /nfs/dbraw/zinc/31/05/65/573310565.db2.gz MVHHKZCDTVNZEK-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@H+]1CCCN[C@H](C(C)(C)C)C1 82941777 573310570 /nfs/dbraw/zinc/31/05/70/573310570.db2.gz MVHHKZCDTVNZEK-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCCN1CCC[NH2+][C@H](C(C)(C)C)C1 82941777 573310576 /nfs/dbraw/zinc/31/05/76/573310576.db2.gz MVHHKZCDTVNZEK-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)[C@H]1C[N@H+](CC)[C@H](C)CCN1 82942355 573310702 /nfs/dbraw/zinc/31/07/02/573310702.db2.gz SVAVMMCJSOOBME-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[C@H]1C[N@@H+](CC)[C@H](C)CCN1 82942355 573310709 /nfs/dbraw/zinc/31/07/09/573310709.db2.gz SVAVMMCJSOOBME-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[C@H]1CN(CC)[C@H](C)CC[NH2+]1 82942355 573310717 /nfs/dbraw/zinc/31/07/17/573310717.db2.gz SVAVMMCJSOOBME-QJPTWQEYSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN1C[C@@H](C(C)(C)C)[NH2+]CC[C@@H]1C 82943257 573311703 /nfs/dbraw/zinc/31/17/03/573311703.db2.gz HFIMOQAUYWGOMB-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[C@@H]1C[N@H+](CC)[C@H](C)CCN1 82942350 573310919 /nfs/dbraw/zinc/31/09/19/573310919.db2.gz SVAVMMCJSOOBME-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[C@@H]1CN(CC)[C@H](C)CC[NH2+]1 82942350 573310929 /nfs/dbraw/zinc/31/09/29/573310929.db2.gz SVAVMMCJSOOBME-TUAOUCFPSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)C[C@](CC)(C[NH3+])N1CCC1 308547275 573311289 /nfs/dbraw/zinc/31/12/89/573311289.db2.gz QDIPYGAJLYLXMH-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO C[N@@H+]1CCC[C@@H](CN)[C@@H]1CC(C)(C)C 238345840 573311345 /nfs/dbraw/zinc/31/13/45/573311345.db2.gz HTVUDXAEHFCSPV-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO C[N@H+]1CCC[C@@H](CN)[C@@H]1CC(C)(C)C 238345840 573311350 /nfs/dbraw/zinc/31/13/50/573311350.db2.gz HTVUDXAEHFCSPV-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[N@@H+]1CCCN[C@@H](C(C)(C)C)C1 82941779 573311374 /nfs/dbraw/zinc/31/13/74/573311374.db2.gz MVHHKZCDTVNZEK-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@H+]1CCCN[C@@H](C(C)(C)C)C1 82941779 573311382 /nfs/dbraw/zinc/31/13/82/573311382.db2.gz MVHHKZCDTVNZEK-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCN1CCC[NH2+][C@@H](C(C)(C)C)C1 82941779 573311386 /nfs/dbraw/zinc/31/13/86/573311386.db2.gz MVHHKZCDTVNZEK-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[N@@H+]1C[C@@H](C(C)(C)C)NCC[C@@H]1C 82943257 573311694 /nfs/dbraw/zinc/31/16/94/573311694.db2.gz HFIMOQAUYWGOMB-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)C[C@@](CC)(C[NH3+])N1CCC1 308547274 573313992 /nfs/dbraw/zinc/31/39/92/573313992.db2.gz QDIPYGAJLYLXMH-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@](C)(CN)C[NH2+][C@@H]1CCC1(C)C 308551961 573317354 /nfs/dbraw/zinc/31/73/54/573317354.db2.gz SIOYMZURCPKCFI-ZYHUDNBSSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@](C)(CN)C[NH2+][C@H]1CCC1(C)C 308551953 573317474 /nfs/dbraw/zinc/31/74/74/573317474.db2.gz SIOYMZURCPKCFI-CMPLNLGQSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)[C@@H](CC[NH3+])CCCN1CCC1 308551932 573318363 /nfs/dbraw/zinc/31/83/63/573318363.db2.gz SICXMNBJKDKJRX-GFCCVEGCSA-N 1 3 198.354 2.093 10 0 AEAEHO C[N@@H+]1CCC[C@H](CN)[C@@H]1CC(C)(C)C 238350716 573318931 /nfs/dbraw/zinc/31/89/31/573318931.db2.gz HTVUDXAEHFCSPV-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO C[N@H+]1CCC[C@H](CN)[C@@H]1CC(C)(C)C 238350716 573318936 /nfs/dbraw/zinc/31/89/36/573318936.db2.gz HTVUDXAEHFCSPV-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CCCCC[N@H+](C)CC(C)=C1CNC1 129485388 573318987 /nfs/dbraw/zinc/31/89/87/573318987.db2.gz UYVMQPVPLYXRJL-UHFFFAOYSA-N 1 3 196.338 2.028 10 0 AEAEHO CCCCC[N@@H+](C)CC(C)=C1CNC1 129485388 573318993 /nfs/dbraw/zinc/31/89/93/573318993.db2.gz UYVMQPVPLYXRJL-UHFFFAOYSA-N 1 3 196.338 2.028 10 0 AEAEHO CC[C@@](C)(CN)C[NH2+][C@@H]1CCC1(C)C 308551958 573319395 /nfs/dbraw/zinc/31/93/95/573319395.db2.gz SIOYMZURCPKCFI-PWSUYJOCSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)[C@H](CC[NH3+])CCCN1CCC1 308551938 573319692 /nfs/dbraw/zinc/31/96/92/573319692.db2.gz SICXMNBJKDKJRX-LBPRGKRZSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@](C)(CN)C[NH2+][C@H]1CCC1(C)C 308551955 573320427 /nfs/dbraw/zinc/32/04/27/573320427.db2.gz SIOYMZURCPKCFI-JQWIXIFHSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)CC[N@@H+]1CC[C@H](N)CC1(C)C 106876249 573321229 /nfs/dbraw/zinc/32/12/29/573321229.db2.gz QBPLJCPHCKXFQL-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)CC[N@H+]1CC[C@H](N)CC1(C)C 106876249 573321232 /nfs/dbraw/zinc/32/12/32/573321232.db2.gz QBPLJCPHCKXFQL-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@]1(C[C@@H]2CCCCN2)CCCC[NH2+]1 258002899 573330639 /nfs/dbraw/zinc/33/06/39/573330639.db2.gz AMRQYQUYWCAQFK-RYUDHWBXSA-N 1 3 196.338 2.051 10 0 AEAEHO C[C@@]1(C[C@@H]2CCCC[NH2+]2)CCCCN1 258002899 573330644 /nfs/dbraw/zinc/33/06/44/573330644.db2.gz AMRQYQUYWCAQFK-RYUDHWBXSA-N 1 3 196.338 2.051 10 0 AEAEHO CC(C)C[C@@H](C)[NH2+]C[C@]1(C)CCCN1 308559700 573332929 /nfs/dbraw/zinc/33/29/29/573332929.db2.gz WMXODLABPYWSRI-NEPJUHHUSA-N 1 3 198.354 2.153 10 0 AEAEHO C/C=C\C[N@@H+](CCC)C1CCNCC1 215164519 573336005 /nfs/dbraw/zinc/33/60/05/573336005.db2.gz XHWDBSCJFZVYJH-HYXAFXHYSA-N 1 3 196.338 2.027 10 0 AEAEHO C/C=C\C[N@H+](CCC)C1CCNCC1 215164519 573336011 /nfs/dbraw/zinc/33/60/11/573336011.db2.gz XHWDBSCJFZVYJH-HYXAFXHYSA-N 1 3 196.338 2.027 10 0 AEAEHO C/C=C\CN(CCC)C1CC[NH2+]CC1 215164519 573336017 /nfs/dbraw/zinc/33/60/17/573336017.db2.gz XHWDBSCJFZVYJH-HYXAFXHYSA-N 1 3 196.338 2.027 10 0 AEAEHO C[C@@H](CCN)[NH2+]C1CCCCCC1 129575561 573340229 /nfs/dbraw/zinc/34/02/29/573340229.db2.gz DFAMZMSJDAXCJJ-JTQLQIEISA-N 1 3 184.327 2.036 10 0 AEAEHO CCCN[C@@H](C[NH3+])c1sccc1C 50270486 573341210 /nfs/dbraw/zinc/34/12/10/573341210.db2.gz SOIAFYNGOVUFMH-VIFPVBQESA-N 1 3 198.335 2.056 10 0 AEAEHO C[C@H](CCN)[NH2+]C1CCCCCC1 129575762 573344137 /nfs/dbraw/zinc/34/41/37/573344137.db2.gz DFAMZMSJDAXCJJ-SNVBAGLBSA-N 1 3 184.327 2.036 10 0 AEAEHO CC(C)(C)[NH2+]CC[C@@H](N)C(C)(C)C 129597317 573345148 /nfs/dbraw/zinc/34/51/48/573345148.db2.gz GTYDBJYBMWAQLE-SECBINFHSA-N 1 3 186.343 2.138 10 0 AEAEHO CC(C)(C)[NH2+]CC[C@H](N)C(C)(C)C 129597534 573345193 /nfs/dbraw/zinc/34/51/93/573345193.db2.gz GTYDBJYBMWAQLE-VIFPVBQESA-N 1 3 186.343 2.138 10 0 AEAEHO CCCCCC[C@@H](C[NH3+])NC1CC1 50271098 573345510 /nfs/dbraw/zinc/34/55/10/573345510.db2.gz IZFNUKKWQGRPPL-NSHDSACASA-N 1 3 184.327 2.036 10 0 AEAEHO CC(C)(C)[C@@H](N)CC[NH2+]C1CCCC1 129600588 573349608 /nfs/dbraw/zinc/34/96/08/573349608.db2.gz OMNHBMDDOFOGNT-NSHDSACASA-N 1 3 198.354 2.282 10 0 AEAEHO CCCC[NH2+]CC[C@H](N)C(C)(C)C 129602543 573349714 /nfs/dbraw/zinc/34/97/14/573349714.db2.gz AKZNAFIRCYBREQ-JTQLQIEISA-N 1 3 186.343 2.140 10 0 AEAEHO CC[C@@H](C)[NH2+]CC[C@H](N)C(C)(C)C 129598652 573349741 /nfs/dbraw/zinc/34/97/41/573349741.db2.gz DWRZRJMZTKVHMJ-ZJUUUORDSA-N 1 3 186.343 2.138 10 0 AEAEHO CCCCCN1CCC(C)(C)[C@@H]([NH3+])C1 259424705 573351687 /nfs/dbraw/zinc/35/16/87/573351687.db2.gz ZRIOZFFHAIELAC-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](C)[N@@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303056 573351551 /nfs/dbraw/zinc/35/15/51/573351551.db2.gz AHEMNBBGWPIQAQ-USZNOCQGSA-N 1 3 198.354 2.233 10 0 AEAEHO CCC[C@H](C)[N@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303056 573351559 /nfs/dbraw/zinc/35/15/59/573351559.db2.gz AHEMNBBGWPIQAQ-USZNOCQGSA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)CC[N@@H+]1CC[C@H](N)[C@H](C)[C@H]1C 86302993 573351708 /nfs/dbraw/zinc/35/17/08/573351708.db2.gz XHMCNJQXIHGLKM-UTUOFQBUSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H]1CC(C)(C)C[C@H]1[N@H+](C)CCCN 235570855 573352662 /nfs/dbraw/zinc/35/26/62/573352662.db2.gz XNJCJPNDEOADFZ-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H]1CC(C)(C)C[C@H]1[N@@H+](C)CCCN 235570855 573352668 /nfs/dbraw/zinc/35/26/68/573352668.db2.gz XNJCJPNDEOADFZ-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[NH2+][C@@H]1CCN(C(C)C)[C@H](C)[C@@H]1C 86302925 573353081 /nfs/dbraw/zinc/35/30/81/573353081.db2.gz XSEQBNWKPIVOSD-QJPTWQEYSA-N 1 3 198.354 2.103 10 0 AEAEHO CC(C)[C@H](C)[N@@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 86303455 573354529 /nfs/dbraw/zinc/35/45/29/573354529.db2.gz QIHQVVFNACNOOV-YFKTTZPYSA-N 1 3 198.354 2.089 10 0 AEAEHO CC(C)[C@H](C)[N@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 86303455 573354535 /nfs/dbraw/zinc/35/45/35/573354535.db2.gz QIHQVVFNACNOOV-YFKTTZPYSA-N 1 3 198.354 2.089 10 0 AEAEHO CCC[N@H+](CC(C)=C1CNC1)C(C)C 129477902 573354596 /nfs/dbraw/zinc/35/45/96/573354596.db2.gz ZUEKFIJAURVHCW-UHFFFAOYSA-N 1 3 196.338 2.027 10 0 AEAEHO CCC[N@@H+](CC(C)=C1CNC1)C(C)C 129477902 573354601 /nfs/dbraw/zinc/35/46/01/573354601.db2.gz ZUEKFIJAURVHCW-UHFFFAOYSA-N 1 3 196.338 2.027 10 0 AEAEHO CC[C@H](C)[N@@H+]1CC[C@H](NC)[C@H](C)[C@@H]1C 86303124 573354706 /nfs/dbraw/zinc/35/47/06/573354706.db2.gz PYWIIGDWJXFZHT-USZNOCQGSA-N 1 3 198.354 2.103 10 0 AEAEHO CC[C@H](C)[N@H+]1CC[C@H](NC)[C@H](C)[C@@H]1C 86303124 573354714 /nfs/dbraw/zinc/35/47/14/573354714.db2.gz PYWIIGDWJXFZHT-USZNOCQGSA-N 1 3 198.354 2.103 10 0 AEAEHO CC[C@H](C)N1CC[C@H]([NH2+]C)[C@H](C)[C@@H]1C 86303124 573354719 /nfs/dbraw/zinc/35/47/19/573354719.db2.gz PYWIIGDWJXFZHT-USZNOCQGSA-N 1 3 198.354 2.103 10 0 AEAEHO CC(C)CC[N@@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86302988 573355462 /nfs/dbraw/zinc/35/54/62/573355462.db2.gz XHMCNJQXIHGLKM-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)CC[N@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86302988 573355466 /nfs/dbraw/zinc/35/54/66/573355466.db2.gz XHMCNJQXIHGLKM-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC(C)(C)[N@@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303301 573355841 /nfs/dbraw/zinc/35/58/41/573355841.db2.gz IJZCRDYVXOAVIT-VWYCJHECSA-N 1 3 198.354 2.233 10 0 AEAEHO CCC(C)(C)[N@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303301 573355846 /nfs/dbraw/zinc/35/58/46/573355846.db2.gz IJZCRDYVXOAVIT-VWYCJHECSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H](CN)[C@@H](C)[N@@H+]1CCCC(C)(C)C1 86312689 573358641 /nfs/dbraw/zinc/35/86/41/573358641.db2.gz SDEPJWISXMEQDK-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H](CN)[C@@H](C)[N@H+]1CCCC(C)(C)C1 86312689 573358645 /nfs/dbraw/zinc/35/86/45/573358645.db2.gz SDEPJWISXMEQDK-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]1[C@@H](N)CC[N@@H+](CC(C)(C)C)[C@@H]1C 86304153 573359835 /nfs/dbraw/zinc/35/98/35/573359835.db2.gz HTVZUMDSRPNFCZ-AXFHLTTASA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@@H]1[C@@H](N)CC[N@H+](CC(C)(C)C)[C@@H]1C 86304153 573359841 /nfs/dbraw/zinc/35/98/41/573359841.db2.gz HTVZUMDSRPNFCZ-AXFHLTTASA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@@H]1[C@@H]([NH3+])CCN(CC(C)(C)C)[C@@H]1C 86304153 573359847 /nfs/dbraw/zinc/35/98/47/573359847.db2.gz HTVZUMDSRPNFCZ-AXFHLTTASA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@@H](CN)[C@H](C)[NH+]1CCCCCCC1 86311388 573360777 /nfs/dbraw/zinc/36/07/77/573360777.db2.gz NMFSXWDEKUAXQQ-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H](CN)[C@H](C)[NH+]1CCC(C)(C)CC1 86312398 573360251 /nfs/dbraw/zinc/36/02/51/573360251.db2.gz GIDXTUQQBKVVRS-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]([C@H](C)CN)[NH+]1CCC(C)(C)CC1 86312399 573360687 /nfs/dbraw/zinc/36/06/87/573360687.db2.gz GIDXTUQQBKVVRS-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]([C@H](C)CN)[N@@H+]1CCCC(C)(C)C1 86312691 573363018 /nfs/dbraw/zinc/36/30/18/573363018.db2.gz SDEPJWISXMEQDK-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]([C@H](C)CN)[N@H+]1CCCC(C)(C)C1 86312691 573363023 /nfs/dbraw/zinc/36/30/23/573363023.db2.gz SDEPJWISXMEQDK-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]([C@H](C)CN)[NH+]1CCCCCCC1 86311389 573362304 /nfs/dbraw/zinc/36/23/04/573362304.db2.gz NMFSXWDEKUAXQQ-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](N)CC[NH2+][C@H]1CCC1(C)C 308562076 573362375 /nfs/dbraw/zinc/36/23/75/573362375.db2.gz XYHYMMDUCBEBDN-MNOVXSKESA-N 1 3 198.354 2.282 10 0 AEAEHO CCC[C@@H]([NH3+])CCN[C@H]1CCC1(C)C 308562076 573362377 /nfs/dbraw/zinc/36/23/77/573362377.db2.gz XYHYMMDUCBEBDN-MNOVXSKESA-N 1 3 198.354 2.282 10 0 AEAEHO CC[C@@H](CC1CC1)[NH2+]CCC(C)(C)N 308562127 573362757 /nfs/dbraw/zinc/36/27/57/573362757.db2.gz YCLNRWHOMISKOD-NSHDSACASA-N 1 3 198.354 2.282 10 0 AEAEHO C[NH2+]C(C)(C)CN[C@@H]1CCCC1(C)C 393663091 573365132 /nfs/dbraw/zinc/36/51/32/573365132.db2.gz YUJYVDYOOHMGKS-SNVBAGLBSA-N 1 3 198.354 2.153 10 0 AEAEHO CCN1CCC[C@H]1C[C@]1(C)CCC[NH2+]1 258312381 573365235 /nfs/dbraw/zinc/36/52/35/573365235.db2.gz VNDSCQZPBWFLQU-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)(C)[C@@H](N)CC[NH2+][C@H]1CC1(C)C 129610769 573366807 /nfs/dbraw/zinc/36/68/07/573366807.db2.gz HIBWNQCZTSFGST-UWVGGRQHSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)(C)[C@@H]([NH3+])CCN[C@H]1CC1(C)C 129610769 573366810 /nfs/dbraw/zinc/36/68/10/573366810.db2.gz HIBWNQCZTSFGST-UWVGGRQHSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)(C)[C@@H](N)CC[NH2+][C@@H]1CC1(C)C 129610977 573367378 /nfs/dbraw/zinc/36/73/78/573367378.db2.gz HIBWNQCZTSFGST-VHSXEESVSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)(C)[C@@H]([NH3+])CCN[C@@H]1CC1(C)C 129610977 573367382 /nfs/dbraw/zinc/36/73/82/573367382.db2.gz HIBWNQCZTSFGST-VHSXEESVSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)(C)[C@H](N)CC[NH2+][C@@H]1CC1(C)C 129611420 573367922 /nfs/dbraw/zinc/36/79/22/573367922.db2.gz HIBWNQCZTSFGST-NXEZZACHSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)(C)[C@H]([NH3+])CCN[C@@H]1CC1(C)C 129611420 573367925 /nfs/dbraw/zinc/36/79/25/573367925.db2.gz HIBWNQCZTSFGST-NXEZZACHSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)(C)[C@@H](N)CC[NH2+]CCC1CC1 129624869 573371818 /nfs/dbraw/zinc/37/18/18/573371818.db2.gz KFZCOKMFZVXTBW-NSHDSACASA-N 1 3 198.354 2.140 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@@H](C)CCNC 323144042 573375077 /nfs/dbraw/zinc/37/50/77/573375077.db2.gz KOTROUJRUOXIPG-QWRGUYRKSA-N 1 3 186.343 2.010 10 0 AEAEHO CCC[C@@H](C)C[NH2+][C@H](C)CCNC 323144040 573375687 /nfs/dbraw/zinc/37/56/87/573375687.db2.gz KOTROUJRUOXIPG-GHMZBOCLSA-N 1 3 186.343 2.010 10 0 AEAEHO [NH3+][C@H](CNC1CC1)CC1CCCCC1 308565811 573376853 /nfs/dbraw/zinc/37/68/53/573376853.db2.gz YFYWXUYPFALPGO-NSHDSACASA-N 1 3 196.338 2.036 10 0 AEAEHO [NH3+][C@@H](CNC1CC1)CC1CCCCC1 308565809 573378144 /nfs/dbraw/zinc/37/81/44/573378144.db2.gz YFYWXUYPFALPGO-LLVKDONJSA-N 1 3 196.338 2.036 10 0 AEAEHO C/C=C\CC[N@@H+]1CC[C@H](N)[C@H](C)[C@H]1C 308377132 573380363 /nfs/dbraw/zinc/38/03/63/573380363.db2.gz BMOJBNXSULSWHC-UMOJZNBSSA-N 1 3 196.338 2.010 10 0 AEAEHO C/C=C\CC[N@H+]1CC[C@H](N)[C@H](C)[C@H]1C 308377132 573380369 /nfs/dbraw/zinc/38/03/69/573380369.db2.gz BMOJBNXSULSWHC-UMOJZNBSSA-N 1 3 196.338 2.010 10 0 AEAEHO C/C=C\CCN1CC[C@H]([NH3+])[C@H](C)[C@H]1C 308377132 573380373 /nfs/dbraw/zinc/38/03/73/573380373.db2.gz BMOJBNXSULSWHC-UMOJZNBSSA-N 1 3 196.338 2.010 10 0 AEAEHO C/C=C\CCN1CC[C@H]([NH2+]C)C[C@H]1C 308377660 573381448 /nfs/dbraw/zinc/38/14/48/573381448.db2.gz BNPNIZOGIBRUMB-JYYSYOFASA-N 1 3 196.338 2.025 10 0 AEAEHO C/C=C\CC[N@H+]1CC[C@H](NC)C[C@H]1C 308377660 573381455 /nfs/dbraw/zinc/38/14/55/573381455.db2.gz BNPNIZOGIBRUMB-JYYSYOFASA-N 1 3 196.338 2.025 10 0 AEAEHO C/C=C\CC[N@@H+]1CC[C@H](NC)C[C@H]1C 308377660 573381459 /nfs/dbraw/zinc/38/14/59/573381459.db2.gz BNPNIZOGIBRUMB-JYYSYOFASA-N 1 3 196.338 2.025 10 0 AEAEHO CC(C)[NH2+]C[C@H](C)NC[C@H](C)C1CC1 162346020 573381660 /nfs/dbraw/zinc/38/16/60/573381660.db2.gz QVJKLVXJPOLDEP-QWRGUYRKSA-N 1 3 198.354 2.009 10 0 AEAEHO C/C=C(\C)CNCC(C)(C)C[NH+](C)C 308567016 573382679 /nfs/dbraw/zinc/38/26/79/573382679.db2.gz BAGKAAGLJRGQGP-YRNVUSSQSA-N 1 3 198.354 2.130 10 0 AEAEHO CC/C=C(\C)CN1CCC[C@H](C[NH3+])C1 308377200 573382708 /nfs/dbraw/zinc/38/27/08/573382708.db2.gz UONQDLZUXLIKIH-JXDHDYMSSA-N 1 3 196.338 2.013 10 0 AEAEHO CCN(CC)[C@@H](C)C[C@H]1CCCC[NH2+]1 126151221 573384662 /nfs/dbraw/zinc/38/46/62/573384662.db2.gz MHVLJLHXHYHARJ-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH+](CC)[C@@H](C)C[C@H]1CCCCN1 126151221 573384666 /nfs/dbraw/zinc/38/46/66/573384666.db2.gz MHVLJLHXHYHARJ-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)=CC[N@H+]1C[C@H](C)NCC[C@@H]1C 235580136 573384952 /nfs/dbraw/zinc/38/49/52/573384952.db2.gz XHBAVDAUTRKWAJ-RYUDHWBXSA-N 1 3 196.338 2.025 10 0 AEAEHO CC(C)=CC[N@@H+]1C[C@H](C)NCC[C@@H]1C 235580136 573384957 /nfs/dbraw/zinc/38/49/57/573384957.db2.gz XHBAVDAUTRKWAJ-RYUDHWBXSA-N 1 3 196.338 2.025 10 0 AEAEHO CCC[C@H](N)CC[NH2+]C[C@@H](C)C1CC1 133209861 573387022 /nfs/dbraw/zinc/38/70/22/573387022.db2.gz YUXDQYJVPIKHEX-PWSUYJOCSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[N@H+](C[C@H](C)CN)CC1(C)CCC1 308572350 573400387 /nfs/dbraw/zinc/40/03/87/573400387.db2.gz LANHAEYNFCAENW-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[N@@H+](C[C@H](C)CN)CC1(C)CCC1 308572350 573400389 /nfs/dbraw/zinc/40/03/89/573400389.db2.gz LANHAEYNFCAENW-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@H]1C[N@@H+](C2CCC2)CCCN1 83106092 573402481 /nfs/dbraw/zinc/40/24/81/573402481.db2.gz CPUYYSIWPQSECF-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[C@H]1C[N@H+](C2CCC2)CCCN1 83106092 573402484 /nfs/dbraw/zinc/40/24/84/573402484.db2.gz CPUYYSIWPQSECF-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[C@H]1CN(C2CCC2)CCC[NH2+]1 83106092 573402491 /nfs/dbraw/zinc/40/24/91/573402491.db2.gz CPUYYSIWPQSECF-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H]([NH2+][C@H]1CC[C@H](N)C1)C1CCCC1 86400778 573403705 /nfs/dbraw/zinc/40/37/05/573403705.db2.gz FARAIUMTWNXNHH-DLOVCJGASA-N 1 3 196.338 2.035 10 0 AEAEHO CC1CCC([NH2+][C@@H]2CC[C@H](N)C2)CC1 86397265 573403723 /nfs/dbraw/zinc/40/37/23/573403723.db2.gz PBSUCQHGMMVVAO-POSLAHMBSA-N 1 3 196.338 2.035 10 0 AEAEHO CC1CCC([NH2+][C@@H]2CC[C@@H](N)C2)CC1 86397268 573403823 /nfs/dbraw/zinc/40/38/23/573403823.db2.gz PBSUCQHGMMVVAO-RUJICJSRSA-N 1 3 196.338 2.035 10 0 AEAEHO N[C@H]1CC[C@H]([NH2+]C2CCCCCC2)C1 86397684 573404573 /nfs/dbraw/zinc/40/45/73/573404573.db2.gz GESMVNCQHGVWRZ-JQWIXIFHSA-N 1 3 196.338 2.179 10 0 AEAEHO CC1CCC([NH2+][C@H]2CC[C@H](N)C2)CC1 86397266 573404622 /nfs/dbraw/zinc/40/46/22/573404622.db2.gz PBSUCQHGMMVVAO-ADPBJBESSA-N 1 3 196.338 2.035 10 0 AEAEHO N[C@@H]1CC[C@@H]([NH2+]C2CCCCCC2)C1 86397686 573405464 /nfs/dbraw/zinc/40/54/64/573405464.db2.gz GESMVNCQHGVWRZ-ZYHUDNBSSA-N 1 3 196.338 2.179 10 0 AEAEHO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](N)C1 86397414 573407383 /nfs/dbraw/zinc/40/73/83/573407383.db2.gz GKRZGTVZHIHBEV-KXNHARMFSA-N 1 3 196.338 2.035 10 0 AEAEHO CC1(C[NH2+][C@H]2CC[C@H](N)C2)CCCC1 86400634 573407472 /nfs/dbraw/zinc/40/74/72/573407472.db2.gz LKRMJKOLSDFHPY-QWRGUYRKSA-N 1 3 196.338 2.036 10 0 AEAEHO CC1(C[NH2+][C@H]2CC[C@@H](N)C2)CCCC1 86400637 573407779 /nfs/dbraw/zinc/40/77/79/573407779.db2.gz LKRMJKOLSDFHPY-MNOVXSKESA-N 1 3 196.338 2.036 10 0 AEAEHO CC1(C[NH2+][C@@H]2CC[C@H](N)C2)CCCC1 86400631 573407789 /nfs/dbraw/zinc/40/77/89/573407789.db2.gz LKRMJKOLSDFHPY-WDEREUQCSA-N 1 3 196.338 2.036 10 0 AEAEHO CCCCCCN1CC[C@@H]([NH3+])C1(C)C 308576705 573408113 /nfs/dbraw/zinc/40/81/13/573408113.db2.gz NCAYUTWXAWYINY-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO N[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 86398342 573408155 /nfs/dbraw/zinc/40/81/55/573408155.db2.gz VFNLLWBKEXUOCA-NWDGAFQWSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@H]([NH2+][C@@H]1CC[C@H](N)C1)C1CCCC1 86400775 573408322 /nfs/dbraw/zinc/40/83/22/573408322.db2.gz FARAIUMTWNXNHH-ZMLRMANQSA-N 1 3 196.338 2.035 10 0 AEAEHO CNCC1([C@H]([NH2+]C)C(C)(C)C)CCC1 259442163 573411585 /nfs/dbraw/zinc/41/15/85/573411585.db2.gz ONWHRFFXYMAKEI-SNVBAGLBSA-N 1 3 198.354 2.010 10 0 AEAEHO CN(C)[C@@H](C(C)(C)C)C1(C[NH3+])CCC1 259443014 573411464 /nfs/dbraw/zinc/41/14/64/573411464.db2.gz IWXYOFGSGUBNCD-JTQLQIEISA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)(C)C(C)(C)[NH2+]C[C@H]1CCCN1 308577014 573411780 /nfs/dbraw/zinc/41/17/80/573411780.db2.gz NCIHAWPIIQNXIG-SNVBAGLBSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCC[N@H+](CC)[C@@H]1CCN[C@H](C)C1 252950709 573411928 /nfs/dbraw/zinc/41/19/28/573411928.db2.gz OTCJMVCXBLVNDY-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[N@@H+](CC)[C@@H]1CCN[C@H](C)C1 252950709 573411936 /nfs/dbraw/zinc/41/19/36/573411936.db2.gz OTCJMVCXBLVNDY-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[N@H+](C1CCCC1)[C@H]1CC[C@H](N)C1 86410277 573415383 /nfs/dbraw/zinc/41/53/83/573415383.db2.gz RKDFUXQNCYERDA-JQWIXIFHSA-N 1 3 196.338 2.131 10 0 AEAEHO CC[N@@H+](C1CCCC1)[C@H]1CC[C@H](N)C1 86410277 573415388 /nfs/dbraw/zinc/41/53/88/573415388.db2.gz RKDFUXQNCYERDA-JQWIXIFHSA-N 1 3 196.338 2.131 10 0 AEAEHO C[N@H+](C1CCCC1)[C@@H]1CCC[C@H](N)C1 86410091 573415409 /nfs/dbraw/zinc/41/54/09/573415409.db2.gz ZOQJLWSRYUOZCH-CMPLNLGQSA-N 1 3 196.338 2.131 10 0 AEAEHO C[N@@H+](C1CCCC1)[C@@H]1CCC[C@H](N)C1 86410091 573415414 /nfs/dbraw/zinc/41/54/14/573415414.db2.gz ZOQJLWSRYUOZCH-CMPLNLGQSA-N 1 3 196.338 2.131 10 0 AEAEHO N[C@@H]1CC[C@@H]([NH+]2CCCCCCC2)C1 86409989 573415571 /nfs/dbraw/zinc/41/55/71/573415571.db2.gz BNHCBVSBKNTSLR-VXGBXAGGSA-N 1 3 196.338 2.132 10 0 AEAEHO N[C@H]1CC[C@H]([NH+]2CCCCCCC2)C1 86409988 573415754 /nfs/dbraw/zinc/41/57/54/573415754.db2.gz BNHCBVSBKNTSLR-RYUDHWBXSA-N 1 3 196.338 2.132 10 0 AEAEHO C[N@H+](C1CCCC1)[C@H]1CCC[C@H](N)C1 86410093 573416058 /nfs/dbraw/zinc/41/60/58/573416058.db2.gz ZOQJLWSRYUOZCH-JQWIXIFHSA-N 1 3 196.338 2.131 10 0 AEAEHO C[N@@H+](C1CCCC1)[C@H]1CCC[C@H](N)C1 86410093 573416060 /nfs/dbraw/zinc/41/60/60/573416060.db2.gz ZOQJLWSRYUOZCH-JQWIXIFHSA-N 1 3 196.338 2.131 10 0 AEAEHO C[N@@H+](C1CCCCC1)[C@H]1CC[C@H](N)C1 86409772 573418580 /nfs/dbraw/zinc/41/85/80/573418580.db2.gz WARJIFHTMYZWRM-JQWIXIFHSA-N 1 3 196.338 2.131 10 0 AEAEHO C[N@H+](C1CCCCC1)[C@H]1CC[C@H](N)C1 86409772 573418584 /nfs/dbraw/zinc/41/85/84/573418584.db2.gz WARJIFHTMYZWRM-JQWIXIFHSA-N 1 3 196.338 2.131 10 0 AEAEHO C/C=C(\C)C[N@@H+]1CCCC[C@@H]1CCN 308387819 573418563 /nfs/dbraw/zinc/41/85/63/573418563.db2.gz GGGKCJSSRSUYJS-NDZKXSSTSA-N 1 3 196.338 2.156 10 0 AEAEHO C/C=C(\C)C[N@H+]1CCCC[C@@H]1CCN 308387819 573418567 /nfs/dbraw/zinc/41/85/67/573418567.db2.gz GGGKCJSSRSUYJS-NDZKXSSTSA-N 1 3 196.338 2.156 10 0 AEAEHO C/C=C(\C)CN1CCCC[C@@H]1CC[NH3+] 308387819 573418571 /nfs/dbraw/zinc/41/85/71/573418571.db2.gz GGGKCJSSRSUYJS-NDZKXSSTSA-N 1 3 196.338 2.156 10 0 AEAEHO CC[N@H+](CC[C@H](N)C1CC1)CC(C)C 130018294 573421230 /nfs/dbraw/zinc/42/12/30/573421230.db2.gz OCSMDXZRLCWTAL-LBPRGKRZSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](CC[C@H](N)C1CC1)CC(C)C 130018294 573421238 /nfs/dbraw/zinc/42/12/38/573421238.db2.gz OCSMDXZRLCWTAL-LBPRGKRZSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@H](N)C1 86431632 573422253 /nfs/dbraw/zinc/42/22/53/573422253.db2.gz CMURZMPRJMYNGI-QJPTWQEYSA-N 1 3 196.338 2.131 10 0 AEAEHO CC[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@H](N)C1 86431632 573422261 /nfs/dbraw/zinc/42/22/61/573422261.db2.gz CMURZMPRJMYNGI-QJPTWQEYSA-N 1 3 196.338 2.131 10 0 AEAEHO CC[N@H+](CC[C@@H](N)C1CC1)CC(C)C 130018536 573422605 /nfs/dbraw/zinc/42/26/05/573422605.db2.gz OCSMDXZRLCWTAL-GFCCVEGCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](CC[C@@H](N)C1CC1)CC(C)C 130018536 573422610 /nfs/dbraw/zinc/42/26/10/573422610.db2.gz OCSMDXZRLCWTAL-GFCCVEGCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[N@H+](CC[C@H](N)C1CC1)C(C)C 130016043 573422926 /nfs/dbraw/zinc/42/29/26/573422926.db2.gz HPNLMPVCGYMYGH-LBPRGKRZSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[N@@H+](CC[C@H](N)C1CC1)C(C)C 130016043 573422933 /nfs/dbraw/zinc/42/29/33/573422933.db2.gz HPNLMPVCGYMYGH-LBPRGKRZSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]([N@H+](C)[C@@H]1CC[C@H](N)C1)C(C)(C)C 86432534 573426097 /nfs/dbraw/zinc/42/60/97/573426097.db2.gz ZCQMHSOUMBZLKQ-GARJFASQSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H]([N@@H+](C)[C@@H]1CC[C@H](N)C1)C(C)(C)C 86432534 573426101 /nfs/dbraw/zinc/42/61/01/573426101.db2.gz ZCQMHSOUMBZLKQ-GARJFASQSA-N 1 3 198.354 2.233 10 0 AEAEHO CC[C@H](C)[N@H+](CC)CC[C@H](N)C1CC1 130018977 573425499 /nfs/dbraw/zinc/42/54/99/573425499.db2.gz ZIQMORQYAMRWQN-JQWIXIFHSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)CC[C@H](N)C1CC1 130018977 573425502 /nfs/dbraw/zinc/42/55/02/573425502.db2.gz ZIQMORQYAMRWQN-JQWIXIFHSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(C)[N@H+](C)[C@@H]1CCC[C@H](N)C1 86432917 573426043 /nfs/dbraw/zinc/42/60/43/573426043.db2.gz BSTVISXRZUDHOT-WDEREUQCSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC(C)(C)[N@@H+](C)[C@@H]1CCC[C@H](N)C1 86432917 573426047 /nfs/dbraw/zinc/42/60/47/573426047.db2.gz BSTVISXRZUDHOT-WDEREUQCSA-N 1 3 198.354 2.377 10 0 AEAEHO C[C@@H]1CCCCC[N@@H+]1[C@@H]1CC[C@H](N)C1 86432945 573428019 /nfs/dbraw/zinc/42/80/19/573428019.db2.gz GVYMWQQTVNVCHC-GRYCIOLGSA-N 1 3 196.338 2.131 10 0 AEAEHO C[C@@H]1CCCCC[N@H+]1[C@@H]1CC[C@H](N)C1 86432945 573428021 /nfs/dbraw/zinc/42/80/21/573428021.db2.gz GVYMWQQTVNVCHC-GRYCIOLGSA-N 1 3 196.338 2.131 10 0 AEAEHO N[C@@H](CC[NH2+]C1CCCCC1)C1CC1 130034383 573431592 /nfs/dbraw/zinc/43/15/92/573431592.db2.gz XDKLEPOCYBYZPY-LBPRGKRZSA-N 1 3 196.338 2.036 10 0 AEAEHO CCC(CC)[N@H+](C)CC[C@H](N)C1CC1 130026744 573431637 /nfs/dbraw/zinc/43/16/37/573431637.db2.gz PXHRVRMUHZSMNF-LBPRGKRZSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(CC)[N@@H+](C)CC[C@H](N)C1CC1 130026744 573431644 /nfs/dbraw/zinc/43/16/44/573431644.db2.gz PXHRVRMUHZSMNF-LBPRGKRZSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](C)[N@H+](C)CC[C@H](N)C1CC1 130027419 573431785 /nfs/dbraw/zinc/43/17/85/573431785.db2.gz VPHHVLHOVYUDMQ-JQWIXIFHSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](C)[N@@H+](C)CC[C@H](N)C1CC1 130027419 573431791 /nfs/dbraw/zinc/43/17/91/573431791.db2.gz VPHHVLHOVYUDMQ-JQWIXIFHSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](C)N(C)CC[C@H]([NH3+])C1CC1 130027419 573431799 /nfs/dbraw/zinc/43/17/99/573431799.db2.gz VPHHVLHOVYUDMQ-JQWIXIFHSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[C@H](C)[N@H+](C)CC[C@H](N)C1CC1 130026512 573432240 /nfs/dbraw/zinc/43/22/40/573432240.db2.gz ZLNJFGNWJLDUEA-JQWIXIFHSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)[N@@H+](C)CC[C@H](N)C1CC1 130026512 573432245 /nfs/dbraw/zinc/43/22/45/573432245.db2.gz ZLNJFGNWJLDUEA-JQWIXIFHSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC[N@@H+]1CCCCC[C@H]1C[C@H](C)N 308580958 573432683 /nfs/dbraw/zinc/43/26/83/573432683.db2.gz JTAVHSDBKPQWJU-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[N@H+]1CCCCC[C@H]1C[C@H](C)N 308580958 573432690 /nfs/dbraw/zinc/43/26/90/573432690.db2.gz JTAVHSDBKPQWJU-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CC(C)[C@@H](C)[N@H+](C)CC[C@H](N)C1CC1 130026282 573432772 /nfs/dbraw/zinc/43/27/72/573432772.db2.gz ZLNJFGNWJLDUEA-PWSUYJOCSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@@H](C)[N@@H+](C)CC[C@H](N)C1CC1 130026282 573432776 /nfs/dbraw/zinc/43/27/76/573432776.db2.gz ZLNJFGNWJLDUEA-PWSUYJOCSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](C)N 308580959 573433539 /nfs/dbraw/zinc/43/35/39/573433539.db2.gz JTAVHSDBKPQWJU-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[N@H+]1CCCCC[C@@H]1C[C@@H](C)N 308580959 573433544 /nfs/dbraw/zinc/43/35/44/573433544.db2.gz JTAVHSDBKPQWJU-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[N@@H+]1CCCCC[C@H]1C[C@@H](C)N 308580956 573433621 /nfs/dbraw/zinc/43/36/21/573433621.db2.gz JTAVHSDBKPQWJU-NEPJUHHUSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[N@H+]1CCCCC[C@H]1C[C@@H](C)N 308580956 573433627 /nfs/dbraw/zinc/43/36/27/573433627.db2.gz JTAVHSDBKPQWJU-NEPJUHHUSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCC(C)(C)[N@@H+]1CC[C@@H](CNC)C1 126260856 573437481 /nfs/dbraw/zinc/43/74/81/573437481.db2.gz XNRIAZOAHVBSGF-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC(C)(C)[N@H+]1CC[C@@H](CNC)C1 126260856 573437486 /nfs/dbraw/zinc/43/74/86/573437486.db2.gz XNRIAZOAHVBSGF-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC1CC[NH+]([C@H](C)CCN)CC1 50893165 573447492 /nfs/dbraw/zinc/44/74/92/573447492.db2.gz NZULFUQIRKUQLX-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC1CCN([C@H](C)CC[NH3+])CC1 50893165 573447499 /nfs/dbraw/zinc/44/74/99/573447499.db2.gz NZULFUQIRKUQLX-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC1CC[NH+](C[C@@H](C)CN)CC1 50893181 573447882 /nfs/dbraw/zinc/44/78/82/573447882.db2.gz ZJUNCIIAUXJKJI-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CCCC1CCN(C[C@@H](C)C[NH3+])CC1 50893181 573447885 /nfs/dbraw/zinc/44/78/85/573447885.db2.gz ZJUNCIIAUXJKJI-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CCCC1CC[NH+]([C@@H](C)CCN)CC1 50893164 573448210 /nfs/dbraw/zinc/44/82/10/573448210.db2.gz NZULFUQIRKUQLX-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC1CCN([C@@H](C)CC[NH3+])CC1 50893164 573448217 /nfs/dbraw/zinc/44/82/17/573448217.db2.gz NZULFUQIRKUQLX-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)CCC[N@@H+]1CCC[C@H]1CCN 308591896 573459199 /nfs/dbraw/zinc/45/91/99/573459199.db2.gz PKVVGZPFWVTADT-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)CCC[N@H+]1CCC[C@H]1CCN 308591896 573459203 /nfs/dbraw/zinc/45/92/03/573459203.db2.gz PKVVGZPFWVTADT-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[C@@H](C)[NH2+]CC[C@@H](N)C1CC1 130084928 573462740 /nfs/dbraw/zinc/46/27/40/573462740.db2.gz PWELLFLATXNVRH-ZYHUDNBSSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCC[NH2+][C@H](C)C[C@@H]1CCCCN1 86498712 573463169 /nfs/dbraw/zinc/46/31/69/573463169.db2.gz NRBJYSVKCVGKBJ-NEPJUHHUSA-N 1 3 198.354 2.297 10 0 AEAEHO C[N@H+](CC[C@@H](N)C1CC1)CC(C)(C)C 130078134 573463578 /nfs/dbraw/zinc/46/35/78/573463578.db2.gz AFLXKAJSWAFJNX-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO C[N@@H+](CC[C@@H](N)C1CC1)CC(C)(C)C 130078134 573463580 /nfs/dbraw/zinc/46/35/80/573463580.db2.gz AFLXKAJSWAFJNX-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CN(CC[C@@H]([NH3+])C1CC1)CC(C)(C)C 130078134 573463573 /nfs/dbraw/zinc/46/35/73/573463573.db2.gz AFLXKAJSWAFJNX-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCC[C@@H](C)[NH2+]CC[C@H](N)C1CC1 130084488 573464237 /nfs/dbraw/zinc/46/42/37/573464237.db2.gz PWELLFLATXNVRH-PWSUYJOCSA-N 1 3 198.354 2.282 10 0 AEAEHO CN(CC[C@H]([NH3+])C1CC1)CC(C)(C)C 130077897 573465481 /nfs/dbraw/zinc/46/54/81/573465481.db2.gz AFLXKAJSWAFJNX-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO C[N@H+](CC[C@H](N)C1CC1)CC(C)(C)C 130077897 573465488 /nfs/dbraw/zinc/46/54/88/573465488.db2.gz AFLXKAJSWAFJNX-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO C[N@@H+](CC[C@H](N)C1CC1)CC(C)(C)C 130077897 573465494 /nfs/dbraw/zinc/46/54/94/573465494.db2.gz AFLXKAJSWAFJNX-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H]1CCC[C@H]([NH2+]C2CC(N)C2)CC1 235602421 573465805 /nfs/dbraw/zinc/46/58/05/573465805.db2.gz SDXJOZBUAUIJPJ-VOBJUBJWSA-N 1 3 196.338 2.035 10 0 AEAEHO C[NH2+][C@H](CC(C)C)C[C@@H]1CCCCN1 259466541 573476748 /nfs/dbraw/zinc/47/67/48/573476748.db2.gz PWWGKXLTUWXJIH-NWDGAFQWSA-N 1 3 198.354 2.153 10 0 AEAEHO C[NH2+][C@H](CC(C)C)C[C@H]1CCCCN1 259466544 573477274 /nfs/dbraw/zinc/47/72/74/573477274.db2.gz PWWGKXLTUWXJIH-VXGBXAGGSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC(CC)[N@@H+]1CCC[C@@H]1C[C@H](C)N 308596527 573480330 /nfs/dbraw/zinc/48/03/30/573480330.db2.gz SEJRUNRSVYFRFU-CMPLNLGQSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC(CC)[N@H+]1CCC[C@@H]1C[C@H](C)N 308596527 573480334 /nfs/dbraw/zinc/48/03/34/573480334.db2.gz SEJRUNRSVYFRFU-CMPLNLGQSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[C@H](C)[N@@H+]1CCCC[C@@H]1C[C@@H](C)N 308595653 573481959 /nfs/dbraw/zinc/48/19/59/573481959.db2.gz RSBOKKLFOBWFPD-GRYCIOLGSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[C@H](C)[N@H+]1CCCC[C@@H]1C[C@@H](C)N 308595653 573481963 /nfs/dbraw/zinc/48/19/63/573481963.db2.gz RSBOKKLFOBWFPD-GRYCIOLGSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[C@H](C)[N@@H+]1CCCC[C@H]1C[C@H](C)N 308595661 573482638 /nfs/dbraw/zinc/48/26/38/573482638.db2.gz RSBOKKLFOBWFPD-SRVKXCTJSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[C@H](C)[N@H+]1CCCC[C@H]1C[C@H](C)N 308595661 573482641 /nfs/dbraw/zinc/48/26/41/573482641.db2.gz RSBOKKLFOBWFPD-SRVKXCTJSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[C@H](C)[N@@H+]1CCCC[C@@H]1C[C@H](C)N 308595656 573482683 /nfs/dbraw/zinc/48/26/83/573482683.db2.gz RSBOKKLFOBWFPD-SDDRHHMPSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[C@H](C)[N@H+]1CCCC[C@@H]1C[C@H](C)N 308595656 573482687 /nfs/dbraw/zinc/48/26/87/573482687.db2.gz RSBOKKLFOBWFPD-SDDRHHMPSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[C@H](C)[N@@H+]1CCCC[C@H]1C[C@@H](C)N 308595665 573482701 /nfs/dbraw/zinc/48/27/01/573482701.db2.gz RSBOKKLFOBWFPD-WOPDTQHZSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[C@H](C)[N@H+]1CCCC[C@H]1C[C@@H](C)N 308595665 573482707 /nfs/dbraw/zinc/48/27/07/573482707.db2.gz RSBOKKLFOBWFPD-WOPDTQHZSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC(CC)[C@@H](C)[NH2+][C@@H](C)C1CNC1 686245041 573482991 /nfs/dbraw/zinc/48/29/91/573482991.db2.gz ZIFMXFYOFNQLSR-ZJUUUORDSA-N 1 3 198.354 2.009 10 0 AEAEHO CCC(CC)[C@@H](C)[NH2+][C@H](C)C1CNC1 686245038 573483035 /nfs/dbraw/zinc/48/30/35/573483035.db2.gz ZIFMXFYOFNQLSR-NXEZZACHSA-N 1 3 198.354 2.009 10 0 AEAEHO CCC(CC)[C@H](C)[NH2+][C@@H](C)C1CNC1 686245039 573487140 /nfs/dbraw/zinc/48/71/40/573487140.db2.gz ZIFMXFYOFNQLSR-UWVGGRQHSA-N 1 3 198.354 2.009 10 0 AEAEHO CCCC[N@@H+]1C[C@@H](CN)CCC1(C)C 259470477 573487291 /nfs/dbraw/zinc/48/72/91/573487291.db2.gz QSGLYUSLYODKGG-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@H+]1C[C@@H](CN)CCC1(C)C 259470477 573487294 /nfs/dbraw/zinc/48/72/94/573487294.db2.gz QSGLYUSLYODKGG-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO [NH3+][C@@H](C1CCCCC1)[C@H]1CCCCN1 259474320 573488792 /nfs/dbraw/zinc/48/87/92/573488792.db2.gz RYNBGUUWWOOGQF-NEPJUHHUSA-N 1 3 196.338 2.036 10 0 AEAEHO CNC[C@H]1CCC[N@H+](C(C)C)C1(C)C 259474520 573490018 /nfs/dbraw/zinc/49/00/18/573490018.db2.gz QYVIZGYTADBDOR-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@H]1CCC[N@@H+](C(C)C)C1(C)C 259474520 573490026 /nfs/dbraw/zinc/49/00/26/573490026.db2.gz QYVIZGYTADBDOR-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO [NH3+][C@@H](C1CCCCC1)[C@@H]1CCCCN1 259474322 573491533 /nfs/dbraw/zinc/49/15/33/573491533.db2.gz RYNBGUUWWOOGQF-RYUDHWBXSA-N 1 3 196.338 2.036 10 0 AEAEHO CNC[C@@H]1CCC[N@H+](C(C)C)C1(C)C 259474523 573492025 /nfs/dbraw/zinc/49/20/25/573492025.db2.gz QYVIZGYTADBDOR-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@@H]1CCC[N@@H+](C(C)C)C1(C)C 259474523 573492032 /nfs/dbraw/zinc/49/20/32/573492032.db2.gz QYVIZGYTADBDOR-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@@H](N)CC[NH2+]CC(C)(C)C1CCC1 258694232 573492522 /nfs/dbraw/zinc/49/25/22/573492522.db2.gz GCUTURWIJSNTKH-SNVBAGLBSA-N 1 3 198.354 2.140 10 0 AEAEHO C[N@@H+]1CCCC[C@H]1C1(N)CCCCC1 258041654 573492556 /nfs/dbraw/zinc/49/25/56/573492556.db2.gz OLELRCPMNNCOJE-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO C[N@H+]1CCCC[C@H]1C1(N)CCCCC1 258041654 573492560 /nfs/dbraw/zinc/49/25/60/573492560.db2.gz OLELRCPMNNCOJE-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO CC[N@H+](CCCN)CC1(CC)CCC1 308607381 573498166 /nfs/dbraw/zinc/49/81/66/573498166.db2.gz JNGUDMXDCFEXJO-UHFFFAOYSA-N 1 3 198.354 2.237 10 0 AEAEHO CC[N@@H+](CCCN)CC1(CC)CCC1 308607381 573498170 /nfs/dbraw/zinc/49/81/70/573498170.db2.gz JNGUDMXDCFEXJO-UHFFFAOYSA-N 1 3 198.354 2.237 10 0 AEAEHO CCN(CCC[NH3+])CC1(CC)CCC1 308607381 573498175 /nfs/dbraw/zinc/49/81/75/573498175.db2.gz JNGUDMXDCFEXJO-UHFFFAOYSA-N 1 3 198.354 2.237 10 0 AEAEHO Cc1ccc([C@@H](N)C[C@@H](C)[NH3+])c(C)c1 259110491 573504297 /nfs/dbraw/zinc/50/42/97/573504297.db2.gz BLRUXLYYMWZNIK-PWSUYJOCSA-N 1 3 192.306 2.041 10 0 AEAEHO CCC[C@H]1CCC[C@](N)(C[NH3+])CC1 83437699 573504340 /nfs/dbraw/zinc/50/43/40/573504340.db2.gz OKCBUPQTOMRLIK-WDEREUQCSA-N 1 3 184.327 2.023 10 0 AEAEHO CCC[C@H]1CCC[C@@](N)(C[NH3+])CC1 83437701 573504574 /nfs/dbraw/zinc/50/45/74/573504574.db2.gz OKCBUPQTOMRLIK-QWRGUYRKSA-N 1 3 184.327 2.023 10 0 AEAEHO CC[NH2+][C@H]1CCC[C@H](N2CCCC2)C1 86598844 573505654 /nfs/dbraw/zinc/50/56/54/573505654.db2.gz VGWFANNDQGSPQK-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CCN[C@H]1CCC[C@H]([NH+]2CCCC2)C1 86598844 573505662 /nfs/dbraw/zinc/50/56/62/573505662.db2.gz VGWFANNDQGSPQK-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CN[C@H]1CCC[C@H]([NH+]2CCCCC2)C1 86599031 573507411 /nfs/dbraw/zinc/50/74/11/573507411.db2.gz QLSZDNAISOBZOQ-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO C[NH2+][C@H]1CCC[C@H](N2CCCCC2)C1 86599031 573507418 /nfs/dbraw/zinc/50/74/18/573507418.db2.gz QLSZDNAISOBZOQ-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)(C)[C@@H]1CCC[C@](N)(C[NH3+])CC1 83438620 573509621 /nfs/dbraw/zinc/50/96/21/573509621.db2.gz HVHMBQVQBADHEP-ZYHUDNBSSA-N 1 3 198.354 2.269 10 0 AEAEHO CCCCC[N@@H+]1CCC[C@H]1C[C@H](C)N 308602019 573509836 /nfs/dbraw/zinc/50/98/36/573509836.db2.gz VDMPLWIFMQYYCE-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCCC[N@H+]1CCC[C@H]1C[C@H](C)N 308602019 573509844 /nfs/dbraw/zinc/50/98/44/573509844.db2.gz VDMPLWIFMQYYCE-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](CCN)[N@@H+]1CCC[C@H](C)[C@@H]1C 50563687 573510003 /nfs/dbraw/zinc/51/00/03/573510003.db2.gz FQSQIKKWQFXVSW-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](CCN)[N@H+]1CCC[C@H](C)[C@@H]1C 50563687 573510007 /nfs/dbraw/zinc/51/00/07/573510007.db2.gz FQSQIKKWQFXVSW-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCCC[N@@H+]1CCC[C@@H]1C[C@@H](C)N 308602023 573511344 /nfs/dbraw/zinc/51/13/44/573511344.db2.gz VDMPLWIFMQYYCE-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCCC[N@H+]1CCC[C@@H]1C[C@@H](C)N 308602023 573511348 /nfs/dbraw/zinc/51/13/48/573511348.db2.gz VDMPLWIFMQYYCE-VXGBXAGGSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCCC[N@@H+]1CCC[C@@H]1C[C@H](C)N 308602013 573513325 /nfs/dbraw/zinc/51/33/25/573513325.db2.gz VDMPLWIFMQYYCE-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCCC[N@H+]1CCC[C@@H]1C[C@H](C)N 308602013 573513328 /nfs/dbraw/zinc/51/33/28/573513328.db2.gz VDMPLWIFMQYYCE-NWDGAFQWSA-N 1 3 198.354 2.378 10 0 AEAEHO C[N@H+]([C@@H]1CCNC(C)(C)C1)C(C)(C)C 258730593 573513407 /nfs/dbraw/zinc/51/34/07/573513407.db2.gz HDJBNAGPQPXMSN-SNVBAGLBSA-N 1 3 198.354 2.247 10 0 AEAEHO C[N@@H+]([C@@H]1CCNC(C)(C)C1)C(C)(C)C 258730593 573513409 /nfs/dbraw/zinc/51/34/09/573513409.db2.gz HDJBNAGPQPXMSN-SNVBAGLBSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](NC)C1 86618989 573516320 /nfs/dbraw/zinc/51/63/20/573516320.db2.gz POKOKGDJZHPUTN-QJPTWQEYSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](NC)C1 86618989 573516325 /nfs/dbraw/zinc/51/63/25/573516325.db2.gz POKOKGDJZHPUTN-QJPTWQEYSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@H]1CC[C@H]([N@@H+]2CCCC2(C)C)C1 86619446 573516567 /nfs/dbraw/zinc/51/65/67/573516567.db2.gz RVOVEADAMHRTAG-QWRGUYRKSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@H]1CC[C@H]([N@H+]2CCCC2(C)C)C1 86619446 573516569 /nfs/dbraw/zinc/51/65/69/573516569.db2.gz RVOVEADAMHRTAG-QWRGUYRKSA-N 1 3 196.338 2.001 10 0 AEAEHO C[N@H+](C1CCC1)[C@@H]1CCNC(C)(C)C1 258733489 573516633 /nfs/dbraw/zinc/51/66/33/573516633.db2.gz HGMROSFEHGLANJ-LLVKDONJSA-N 1 3 196.338 2.001 10 0 AEAEHO C[N@@H+](C1CCC1)[C@@H]1CCNC(C)(C)C1 258733489 573516638 /nfs/dbraw/zinc/51/66/38/573516638.db2.gz HGMROSFEHGLANJ-LLVKDONJSA-N 1 3 196.338 2.001 10 0 AEAEHO CN(C1CCC1)[C@@H]1CC[NH2+]C(C)(C)C1 258733489 573516640 /nfs/dbraw/zinc/51/66/40/573516640.db2.gz HGMROSFEHGLANJ-LLVKDONJSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@@H]1CC[C@@H]([N@H+](C)C2CCCC2)C1 86618723 573516694 /nfs/dbraw/zinc/51/66/94/573516694.db2.gz FRASXKLBFKNZSC-ZYHUDNBSSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@@H]1CC[C@@H]([N@@H+](C)C2CCCC2)C1 86618723 573516700 /nfs/dbraw/zinc/51/67/00/573516700.db2.gz FRASXKLBFKNZSC-ZYHUDNBSSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@@H]1CC[C@H]([N@H+](C)C2CCCC2)C1 86618721 573516801 /nfs/dbraw/zinc/51/68/01/573516801.db2.gz FRASXKLBFKNZSC-PWSUYJOCSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@@H]1CC[C@H]([N@@H+](C)C2CCCC2)C1 86618721 573516803 /nfs/dbraw/zinc/51/68/03/573516803.db2.gz FRASXKLBFKNZSC-PWSUYJOCSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)CC[N@H+](C)C(C)(C)CCN 258735048 573516812 /nfs/dbraw/zinc/51/68/12/573516812.db2.gz FKGPFYRPXJJMEU-UHFFFAOYSA-N 1 3 186.343 2.092 10 0 AEAEHO CC(C)CC[N@@H+](C)C(C)(C)CCN 258735048 573516816 /nfs/dbraw/zinc/51/68/16/573516816.db2.gz FKGPFYRPXJJMEU-UHFFFAOYSA-N 1 3 186.343 2.092 10 0 AEAEHO C[N@H+](C1CCC1)[C@H]1CCNC(C)(C)C1 258733490 573517818 /nfs/dbraw/zinc/51/78/18/573517818.db2.gz HGMROSFEHGLANJ-NSHDSACASA-N 1 3 196.338 2.001 10 0 AEAEHO C[N@@H+](C1CCC1)[C@H]1CCNC(C)(C)C1 258733490 573517822 /nfs/dbraw/zinc/51/78/22/573517822.db2.gz HGMROSFEHGLANJ-NSHDSACASA-N 1 3 196.338 2.001 10 0 AEAEHO CN(C1CCC1)[C@H]1CC[NH2+]C(C)(C)C1 258733490 573517827 /nfs/dbraw/zinc/51/78/27/573517827.db2.gz HGMROSFEHGLANJ-NSHDSACASA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@H]1CC[C@H]([NH+]2CCCCCC2)C1 86618401 573518331 /nfs/dbraw/zinc/51/83/31/573518331.db2.gz NYHIXBRLUVDYAY-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CCN[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2C)C1 86618985 573518602 /nfs/dbraw/zinc/51/86/02/573518602.db2.gz XKEIQRURFSYJIV-TUAOUCFPSA-N 1 3 196.338 2.001 10 0 AEAEHO CCN[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2C)C1 86618985 573518608 /nfs/dbraw/zinc/51/86/08/573518608.db2.gz XKEIQRURFSYJIV-TUAOUCFPSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[NH2+][C@@H]1CC[C@H](N2CCC[C@@H]2C)C1 86618985 573518616 /nfs/dbraw/zinc/51/86/16/573518616.db2.gz XKEIQRURFSYJIV-TUAOUCFPSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@H]1CC[C@@H]([N@@H+]2CCCC2(C)C)C1 86619445 573519847 /nfs/dbraw/zinc/51/98/47/573519847.db2.gz RVOVEADAMHRTAG-WDEREUQCSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@H]1CC[C@@H]([N@H+]2CCCC2(C)C)C1 86619445 573519848 /nfs/dbraw/zinc/51/98/48/573519848.db2.gz RVOVEADAMHRTAG-WDEREUQCSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@@H]1CC[C@H]([NH+]2CCCCCC2)C1 86618400 573520582 /nfs/dbraw/zinc/52/05/82/573520582.db2.gz NYHIXBRLUVDYAY-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)(C)C[NH2+][C@H]1CCNC(C)(C)C1 258733479 573520614 /nfs/dbraw/zinc/52/06/14/573520614.db2.gz HGDUHMLUNNDFHM-JTQLQIEISA-N 1 3 198.354 2.153 10 0 AEAEHO CN[C@@H]1CC[C@@H]([NH+]2CCCCCC2)C1 86618402 573520649 /nfs/dbraw/zinc/52/06/49/573520649.db2.gz NYHIXBRLUVDYAY-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CN[C@H]1CC[C@@H]([NH+]2CCCCCC2)C1 86618403 573520814 /nfs/dbraw/zinc/52/08/14/573520814.db2.gz NYHIXBRLUVDYAY-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[NH2+][C@H]1CC[C@@H](N2CCCCC2)C1 86618459 573522215 /nfs/dbraw/zinc/52/22/15/573522215.db2.gz ZRSKQSICQWWSBT-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[NH2+][C@H]1CC[C@H](N2CCCCC2)C1 86618457 573523089 /nfs/dbraw/zinc/52/30/89/573523089.db2.gz ZRSKQSICQWWSBT-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CCN[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2C)C1 86618987 573523145 /nfs/dbraw/zinc/52/31/45/573523145.db2.gz XKEIQRURFSYJIV-QJPTWQEYSA-N 1 3 196.338 2.001 10 0 AEAEHO CCN[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2C)C1 86618987 573523153 /nfs/dbraw/zinc/52/31/53/573523153.db2.gz XKEIQRURFSYJIV-QJPTWQEYSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[NH2+][C@@H]1CC[C@@H](N2CCC[C@@H]2C)C1 86618987 573523160 /nfs/dbraw/zinc/52/31/60/573523160.db2.gz XKEIQRURFSYJIV-QJPTWQEYSA-N 1 3 196.338 2.001 10 0 AEAEHO CC1(C)CC[N@H+](C(C)(C)C)CCCN1 259490327 573531312 /nfs/dbraw/zinc/53/13/12/573531312.db2.gz SAXRQTSVHOEMDD-UHFFFAOYSA-N 1 3 198.354 2.249 10 0 AEAEHO CC1(C)CC[N@@H+](C(C)(C)C)CCCN1 259490327 573531317 /nfs/dbraw/zinc/53/13/17/573531317.db2.gz SAXRQTSVHOEMDD-UHFFFAOYSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCC[NH2+][C@@H]1CCNC(C)(C)C1 258681755 573529107 /nfs/dbraw/zinc/52/91/07/573529107.db2.gz IMXXXAAPZCGJHZ-LLVKDONJSA-N 1 3 198.354 2.297 10 0 AEAEHO CC1(C)C[C@H]([NH2+]C2CCCCC2)CN1 258760033 573529131 /nfs/dbraw/zinc/52/91/31/573529131.db2.gz PAGWLRDFXHXIBU-NSHDSACASA-N 1 3 196.338 2.049 10 0 AEAEHO CCC(CC)C[NH2+]C[C@@H]1CCC[C@H]1N 130416409 573529929 /nfs/dbraw/zinc/52/99/29/573529929.db2.gz IHDXEBQKOFHDLC-NWDGAFQWSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)C[C@@H](C[C@@H]1CCC[NH2+]1)N(C)C 259494092 573535215 /nfs/dbraw/zinc/53/52/15/573535215.db2.gz LIMOQBHLLBWTSY-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC1(C)C[C@@H]([NH2+]C2CCCCC2)CN1 258760028 573532751 /nfs/dbraw/zinc/53/27/51/573532751.db2.gz PAGWLRDFXHXIBU-LLVKDONJSA-N 1 3 196.338 2.049 10 0 AEAEHO CCC(CC)C[NH2+]C[C@@H]1CCC[C@@H]1N 130415989 573533717 /nfs/dbraw/zinc/53/37/17/573533717.db2.gz IHDXEBQKOFHDLC-RYUDHWBXSA-N 1 3 198.354 2.140 10 0 AEAEHO CCC(CC)C[NH2+]C[C@H]1CCC[C@@H]1N 130416200 573534015 /nfs/dbraw/zinc/53/40/15/573534015.db2.gz IHDXEBQKOFHDLC-NEPJUHHUSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)C[C@H](C[C@H]1CCC[NH2+]1)N(C)C 259494095 573534162 /nfs/dbraw/zinc/53/41/62/573534162.db2.gz LIMOQBHLLBWTSY-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@H](C[C@H]1CCCCN1)C(C)(C)C 259493472 573534855 /nfs/dbraw/zinc/53/48/55/573534855.db2.gz RMXGDTKQAZTNIY-GHMZBOCLSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[C@H](C[C@@H]1CCC[NH2+]1)N(C)C 259494090 573535335 /nfs/dbraw/zinc/53/53/35/573535335.db2.gz LIMOQBHLLBWTSY-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@H](C[C@@H]1CCCCN1)C(C)(C)C 259493477 573535955 /nfs/dbraw/zinc/53/59/55/573535955.db2.gz RMXGDTKQAZTNIY-WDEREUQCSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[N@H+](C)[C@H]1CCNC(C)(C)C1 258768218 573539796 /nfs/dbraw/zinc/53/97/96/573539796.db2.gz JVCZLPMKHWMUBV-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)C[N@@H+](C)[C@H]1CCNC(C)(C)C1 258768218 573539800 /nfs/dbraw/zinc/53/98/00/573539800.db2.gz JVCZLPMKHWMUBV-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)C[NH2+]CC[C@@H](N)C1CC1 130427815 573538553 /nfs/dbraw/zinc/53/85/53/573538553.db2.gz YDIARBQQFVJKJZ-GFCCVEGCSA-N 1 3 198.354 2.140 10 0 AEAEHO CC1(C)C[C@H](N)CC[N@@H+]1C1CCCC1 259501529 573541277 /nfs/dbraw/zinc/54/12/77/573541277.db2.gz SYWQTHPGBZZJIB-SNVBAGLBSA-N 1 3 196.338 2.131 10 0 AEAEHO CC1(C)C[C@H](N)CC[N@H+]1C1CCCC1 259501529 573541290 /nfs/dbraw/zinc/54/12/90/573541290.db2.gz SYWQTHPGBZZJIB-SNVBAGLBSA-N 1 3 196.338 2.131 10 0 AEAEHO CC(C)C[N@H+](C)[C@@H]1CCNC(C)(C)C1 258768215 573543454 /nfs/dbraw/zinc/54/34/54/573543454.db2.gz JVCZLPMKHWMUBV-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)C[N@@H+](C)[C@@H]1CCNC(C)(C)C1 258768215 573543461 /nfs/dbraw/zinc/54/34/61/573543461.db2.gz JVCZLPMKHWMUBV-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC1(C[C@H]([NH3+])CCN(C)C)CCC1 308618676 573543715 /nfs/dbraw/zinc/54/37/15/573543715.db2.gz TXWQTZNDYVFMTK-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC1(C[C@@H]([NH3+])CCN(C)C)CCC1 308618677 573544063 /nfs/dbraw/zinc/54/40/63/573544063.db2.gz TXWQTZNDYVFMTK-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](C)[N@@H+]1CCCNC(C)(C)CC1 259503172 573546904 /nfs/dbraw/zinc/54/69/04/573546904.db2.gz TVVXWOFLWFSOKN-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@H](C)[N@H+]1CCCNC(C)(C)CC1 259503172 573546907 /nfs/dbraw/zinc/54/69/07/573546907.db2.gz TVVXWOFLWFSOKN-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+]1CCC[C@@H](CNC)C1(C)C 259503297 573547285 /nfs/dbraw/zinc/54/72/85/573547285.db2.gz TXXPMUMXDRWSPD-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@H+]1CCC[C@@H](CNC)C1(C)C 259503297 573547291 /nfs/dbraw/zinc/54/72/91/573547291.db2.gz TXXPMUMXDRWSPD-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](C)[N@@H+]1CCCNC(C)(C)CC1 259503169 573547790 /nfs/dbraw/zinc/54/77/90/573547790.db2.gz TVVXWOFLWFSOKN-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)[N@H+]1CCCNC(C)(C)CC1 259503169 573547792 /nfs/dbraw/zinc/54/77/92/573547792.db2.gz TVVXWOFLWFSOKN-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CN(C)[C@H]1CC[NH2+]C2(CCCCC2)C1 86662848 573551705 /nfs/dbraw/zinc/55/17/05/573551705.db2.gz SAXRDSUXKYRILR-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@@H+]1CCC[C@H](CNC)C1(C)C 259503294 573551412 /nfs/dbraw/zinc/55/14/12/573551412.db2.gz TXXPMUMXDRWSPD-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@H+]1CCC[C@H](CNC)C1(C)C 259503294 573551415 /nfs/dbraw/zinc/55/14/15/573551415.db2.gz TXXPMUMXDRWSPD-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH+](CC)[C@@H]1CCNC2(CCC2)C1 86662825 573551498 /nfs/dbraw/zinc/55/14/98/573551498.db2.gz BOPGHMLWPZQQSQ-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCN(CC)[C@@H]1CC[NH2+]C2(CCC2)C1 86662825 573551505 /nfs/dbraw/zinc/55/15/05/573551505.db2.gz BOPGHMLWPZQQSQ-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CN(C)[C@@H]1CC[NH2+]C2(CCCCC2)C1 86662847 573552624 /nfs/dbraw/zinc/55/26/24/573552624.db2.gz SAXRDSUXKYRILR-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[NH+](CC)[C@H]1CCNC2(CCC2)C1 86662826 573552643 /nfs/dbraw/zinc/55/26/43/573552643.db2.gz BOPGHMLWPZQQSQ-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CCN(CC)[C@H]1CC[NH2+]C2(CCC2)C1 86662826 573552649 /nfs/dbraw/zinc/55/26/49/573552649.db2.gz BOPGHMLWPZQQSQ-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CCC(CC)[C@H](C)[N@@H+]1CC[C@@H](CN)C1 224821154 573563495 /nfs/dbraw/zinc/56/34/95/573563495.db2.gz PRNLPMJWLDFSDF-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(CC)[C@H](C)[N@H+]1CC[C@@H](CN)C1 224821154 573563503 /nfs/dbraw/zinc/56/35/03/573563503.db2.gz PRNLPMJWLDFSDF-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)[C@H]1C[N@H+](CC)[C@@H](C)CCN1 224355079 573571332 /nfs/dbraw/zinc/57/13/32/573571332.db2.gz SVAVMMCJSOOBME-SDDRHHMPSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[C@H]1C[N@@H+](CC)[C@@H](C)CCN1 224355079 573571337 /nfs/dbraw/zinc/57/13/37/573571337.db2.gz SVAVMMCJSOOBME-SDDRHHMPSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[C@H]1CN(CC)[C@@H](C)CC[NH2+]1 224355079 573571342 /nfs/dbraw/zinc/57/13/42/573571342.db2.gz SVAVMMCJSOOBME-SDDRHHMPSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN(C)CCC1([NH2+]C)CCCCC1 83632734 573574433 /nfs/dbraw/zinc/57/44/33/573574433.db2.gz XWUAKAVRIARGPL-UHFFFAOYSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC(CC)CNCC(C)(C)[NH2+]C 130433494 573578105 /nfs/dbraw/zinc/57/81/05/573578105.db2.gz YGNSUJYKVCNBIX-UHFFFAOYSA-N 1 3 186.343 2.010 10 0 AEAEHO C[C@@H]1CC[N@H+](CC(C)(C)C(C)(C)N)C1 83645662 573578975 /nfs/dbraw/zinc/57/89/75/573578975.db2.gz XGWJQUASSKRAKY-SNVBAGLBSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]1CC[N@@H+](CC(C)(C)C(C)(C)N)C1 83645662 573578982 /nfs/dbraw/zinc/57/89/82/573578982.db2.gz XGWJQUASSKRAKY-SNVBAGLBSA-N 1 3 198.354 2.092 10 0 AEAEHO C[N@H+](C1CCCCC1)C(C)(C)CCN 258794550 573578983 /nfs/dbraw/zinc/57/89/83/573578983.db2.gz JNZGZPIRCGZKAE-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO C[N@@H+](C1CCCCC1)C(C)(C)CCN 258794550 573578989 /nfs/dbraw/zinc/57/89/89/573578989.db2.gz JNZGZPIRCGZKAE-UHFFFAOYSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC(CC)CNC[C@@]1(C)CCC[NH2+]1 130442307 573579041 /nfs/dbraw/zinc/57/90/41/573579041.db2.gz JPEHNBDPMVIKBG-GFCCVEGCSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC(CC)C[NH2+]C[C@@]1(C)CCCN1 130442307 573579048 /nfs/dbraw/zinc/57/90/48/573579048.db2.gz JPEHNBDPMVIKBG-GFCCVEGCSA-N 1 3 198.354 2.154 10 0 AEAEHO C[C@H]1CCC[N@@H+]1CC(C)(C)C(C)(C)N 83645615 573579218 /nfs/dbraw/zinc/57/92/18/573579218.db2.gz BRNRNGHNCMIWNB-JTQLQIEISA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CCC[N@H+]1CC(C)(C)C(C)(C)N 83645615 573579226 /nfs/dbraw/zinc/57/92/26/573579226.db2.gz BRNRNGHNCMIWNB-JTQLQIEISA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(CC)CNC[C@]1(C)CCC[NH2+]1 130442120 573579448 /nfs/dbraw/zinc/57/94/48/573579448.db2.gz JPEHNBDPMVIKBG-LBPRGKRZSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC(CC)C[NH2+]C[C@]1(C)CCCN1 130442120 573579455 /nfs/dbraw/zinc/57/94/55/573579455.db2.gz JPEHNBDPMVIKBG-LBPRGKRZSA-N 1 3 198.354 2.154 10 0 AEAEHO CC(C)(CCN)[NH2+]CCC1CCCC1 258800742 573582694 /nfs/dbraw/zinc/58/26/94/573582694.db2.gz JZIYSIOTOBARGE-UHFFFAOYSA-N 1 3 198.354 2.284 10 0 AEAEHO C[C@@H]1CCC[N@@H+]1CC(C)(C)C(C)(C)N 83645613 573580865 /nfs/dbraw/zinc/58/08/65/573580865.db2.gz BRNRNGHNCMIWNB-SNVBAGLBSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]1CCC[N@H+]1CC(C)(C)C(C)(C)N 83645613 573580870 /nfs/dbraw/zinc/58/08/70/573580870.db2.gz BRNRNGHNCMIWNB-SNVBAGLBSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CC[N@H+](CC(C)(C)C(C)(C)N)C1 83645665 573581454 /nfs/dbraw/zinc/58/14/54/573581454.db2.gz XGWJQUASSKRAKY-JTQLQIEISA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H]1CC[N@@H+](CC(C)(C)C(C)(C)N)C1 83645665 573581463 /nfs/dbraw/zinc/58/14/63/573581463.db2.gz XGWJQUASSKRAKY-JTQLQIEISA-N 1 3 198.354 2.092 10 0 AEAEHO C[NH2+]C1(CNC(C)(C)C)CCCCC1 308637397 573581532 /nfs/dbraw/zinc/58/15/32/573581532.db2.gz BMAMCWBMXXEQBU-UHFFFAOYSA-N 1 3 198.354 2.297 10 0 AEAEHO C[NH2+]CCNCC(C)(C)C1CCCC1 258801384 573582282 /nfs/dbraw/zinc/58/22/82/573582282.db2.gz RIAJJXFOCNKPRR-UHFFFAOYSA-N 1 3 198.354 2.012 10 0 AEAEHO CC(C)(N)C(C)(C)C[NH+]1CCCCC1 83645502 573582561 /nfs/dbraw/zinc/58/25/61/573582561.db2.gz DCCDXTJDPCQBOX-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)([NH3+])C(C)(C)CN1CCCCC1 83645502 573582568 /nfs/dbraw/zinc/58/25/68/573582568.db2.gz DCCDXTJDPCQBOX-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)C[NH2+]CCC1(N)CCC1 130455787 573584632 /nfs/dbraw/zinc/58/46/32/573584632.db2.gz BMZLVOWNJJXZOT-UHFFFAOYSA-N 1 3 198.354 2.284 10 0 AEAEHO CC(C)CCCN(C)CC1(C[NH3+])CC1 258805524 573586686 /nfs/dbraw/zinc/58/66/86/573586686.db2.gz AWIYAIHNTIJSMT-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO C[C@H](CCN)[N@@H+]1CCCC(C)(C)CC1 83680146 573589565 /nfs/dbraw/zinc/58/95/65/573589565.db2.gz VYLAZHXAUCWMFU-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@H](CCN)[N@H+]1CCCC(C)(C)CC1 83680146 573589569 /nfs/dbraw/zinc/58/95/69/573589569.db2.gz VYLAZHXAUCWMFU-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H](CN)C[N@@H+]1CCCC(C)(C)CC1 83680126 573589666 /nfs/dbraw/zinc/58/96/66/573589666.db2.gz LZBOQDWWUVNLEX-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO C[C@@H](CN)C[N@H+]1CCCC(C)(C)CC1 83680126 573589672 /nfs/dbraw/zinc/58/96/72/573589672.db2.gz LZBOQDWWUVNLEX-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)C[N@@H+]1CCC[C@@H](CN)C1(C)C 259520966 573590197 /nfs/dbraw/zinc/59/01/97/573590197.db2.gz VGXUYAFQCAGQHR-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[N@H+]1CCC[C@@H](CN)C1(C)C 259520966 573590205 /nfs/dbraw/zinc/59/02/05/573590205.db2.gz VGXUYAFQCAGQHR-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](CCN)[N@@H+]1CCCC(C)(C)CC1 83680145 573591285 /nfs/dbraw/zinc/59/12/85/573591285.db2.gz VYLAZHXAUCWMFU-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H](CCN)[N@H+]1CCCC(C)(C)CC1 83680145 573591291 /nfs/dbraw/zinc/59/12/91/573591291.db2.gz VYLAZHXAUCWMFU-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CN[C@@H]1CC[N@H+](CC(C)C)C(C)(C)C1 259520999 573591809 /nfs/dbraw/zinc/59/18/09/573591809.db2.gz VHHXDSQHNHMWLQ-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H]1CC[N@@H+](CC(C)C)C(C)(C)C1 259520999 573591814 /nfs/dbraw/zinc/59/18/14/573591814.db2.gz VHHXDSQHNHMWLQ-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@H](CN)C[N@H+]1CCCC(C)(C)CC1 83680129 573593845 /nfs/dbraw/zinc/59/38/45/573593845.db2.gz LZBOQDWWUVNLEX-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO C[C@H](CN)C[N@@H+]1CCCC(C)(C)CC1 83680129 573593840 /nfs/dbraw/zinc/59/38/40/573593840.db2.gz LZBOQDWWUVNLEX-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC(CC)C[NH2+]CC[C@H](N)CC 130467982 573595037 /nfs/dbraw/zinc/59/50/37/573595037.db2.gz LQSNEOKAGYYOMU-LLVKDONJSA-N 1 3 186.343 2.140 10 0 AEAEHO CCCCC[N@@H+]1CC[C@@H](CNC)[C@@H]1C 259136819 573595911 /nfs/dbraw/zinc/59/59/11/573595911.db2.gz DLLYUDBSKDSCMH-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@H+]1CC[C@@H](CNC)[C@@H]1C 259136819 573595916 /nfs/dbraw/zinc/59/59/16/573595916.db2.gz DLLYUDBSKDSCMH-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@@H+]1CC[C@H](CNC)[C@H]1C 259136821 573596471 /nfs/dbraw/zinc/59/64/71/573596471.db2.gz DLLYUDBSKDSCMH-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@H+]1CC[C@H](CNC)[C@H]1C 259136821 573596475 /nfs/dbraw/zinc/59/64/75/573596475.db2.gz DLLYUDBSKDSCMH-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@@H+]1C[C@@H](CN)CC1(C)C 259523007 573597735 /nfs/dbraw/zinc/59/77/35/573597735.db2.gz VMDCXNUGVZBYDF-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCC[N@H+]1C[C@@H](CN)CC1(C)C 259523007 573597740 /nfs/dbraw/zinc/59/77/40/573597740.db2.gz VMDCXNUGVZBYDF-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCC[N@@H+]1C[C@H](CN)CC1(C)C 259523011 573599000 /nfs/dbraw/zinc/59/90/00/573599000.db2.gz VMDCXNUGVZBYDF-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCC[N@H+]1C[C@H](CN)CC1(C)C 259523011 573599007 /nfs/dbraw/zinc/59/90/07/573599007.db2.gz VMDCXNUGVZBYDF-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)CCCC[NH2+][C@@H](C)C1CNC1 686243550 573600254 /nfs/dbraw/zinc/60/02/54/573600254.db2.gz GWPSRPBZOMNGLL-NSHDSACASA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)[C@@H](CN)[C@@H]([NH3+])C1CCCCC1 259139191 573600803 /nfs/dbraw/zinc/60/08/03/573600803.db2.gz BAOHSRPTCARVJT-NEPJUHHUSA-N 1 3 198.354 2.125 10 0 AEAEHO CNCCC[NH2+]CC(C)(C)C1CCC1 258815621 573600937 /nfs/dbraw/zinc/60/09/37/573600937.db2.gz SWZFPFVCZRSBCD-UHFFFAOYSA-N 1 3 198.354 2.012 10 0 AEAEHO CC[C@@H](C)CNC[C@@]1(CC)CCC[NH2+]1 215371341 573601387 /nfs/dbraw/zinc/60/13/87/573601387.db2.gz YJRHYEVVEZEEPM-VXGBXAGGSA-N 1 3 198.354 2.154 10 0 AEAEHO C[NH2+]C(C)(C)CN[C@H]1CC[C@H](C)CC1 308648918 573606226 /nfs/dbraw/zinc/60/62/26/573606226.db2.gz IWPFRTVZKGIIQT-XYPYZODXSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCC[N@@H+]1CCC(C)(C)[C@@H](CN)C1 259123217 573604709 /nfs/dbraw/zinc/60/47/09/573604709.db2.gz CGZMPQVIOZDGTD-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CCCC[N@H+]1CCC(C)(C)[C@@H](CN)C1 259123217 573604715 /nfs/dbraw/zinc/60/47/15/573604715.db2.gz CGZMPQVIOZDGTD-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CCCC[N@@H+]1CCC(C)(C)[C@H](CN)C1 259123215 573606442 /nfs/dbraw/zinc/60/64/42/573606442.db2.gz CGZMPQVIOZDGTD-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CCCC[N@H+]1CCC(C)(C)[C@H](CN)C1 259123215 573606446 /nfs/dbraw/zinc/60/64/46/573606446.db2.gz CGZMPQVIOZDGTD-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](CN)[C@H]([NH2+]C)C1CCCCC1 259128053 573607862 /nfs/dbraw/zinc/60/78/62/573607862.db2.gz GTQHKSMYMCYQNZ-PWSUYJOCSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)([NH3+])CCCNc1ccncc1 258820752 573608410 /nfs/dbraw/zinc/60/84/10/573608410.db2.gz FHPMJYXPDOACEW-UHFFFAOYSA-N 1 3 193.294 2.011 10 0 AEAEHO C[C@H]1[C@H](C)CC[C@H]1[NH2+]CCC(C)(C)N 393667489 573614887 /nfs/dbraw/zinc/61/48/87/573614887.db2.gz DIXCGKLEFPLWSL-OUAUKWLOSA-N 1 3 198.354 2.138 10 0 AEAEHO CCC(C)(C)[C@H]([NH3+])CN(C)CC1CC1 308643272 573619396 /nfs/dbraw/zinc/61/93/96/573619396.db2.gz FFCQEJJQGIAWNN-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[N@@H+]1CCCNC(C)(C)CC1 259530503 573617611 /nfs/dbraw/zinc/61/76/11/573617611.db2.gz VWJWHGBRHXUHNB-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)C[N@H+]1CCCNC(C)(C)CC1 259530503 573617619 /nfs/dbraw/zinc/61/76/19/573617619.db2.gz VWJWHGBRHXUHNB-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO C/C=C\C[N@@H+]1CCCN[C@](C)(CC)C1 308407314 573618080 /nfs/dbraw/zinc/61/80/80/573618080.db2.gz ULOYCWWADTYYCL-TXNVCOODSA-N 1 3 196.338 2.027 10 0 AEAEHO C/C=C\C[N@H+]1CCCN[C@](C)(CC)C1 308407314 573618084 /nfs/dbraw/zinc/61/80/84/573618084.db2.gz ULOYCWWADTYYCL-TXNVCOODSA-N 1 3 196.338 2.027 10 0 AEAEHO CNC[C@H]1C[N@H+](C(C)(C)C)C(C)(C)C1 259528568 573618683 /nfs/dbraw/zinc/61/86/83/573618683.db2.gz VTYTXVJVZAINGA-JTQLQIEISA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@H]1C[N@@H+](C(C)(C)C)C(C)(C)C1 259528568 573618687 /nfs/dbraw/zinc/61/86/87/573618687.db2.gz VTYTXVJVZAINGA-JTQLQIEISA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@@H]1C[N@H+](C(C)(C)C)C(C)(C)C1 259528572 573619768 /nfs/dbraw/zinc/61/97/68/573619768.db2.gz VTYTXVJVZAINGA-SNVBAGLBSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC[C@@H]1C[N@@H+](C(C)(C)C)C(C)(C)C1 259528572 573619772 /nfs/dbraw/zinc/61/97/72/573619772.db2.gz VTYTXVJVZAINGA-SNVBAGLBSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(CC)C[NH+]1CCCNCCC1 130519139 573620873 /nfs/dbraw/zinc/62/08/73/573620873.db2.gz RQUDHQUJWYWMFP-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CNC1(C[NH2+]C2(C)CC2)CCCCC1 308658376 573625130 /nfs/dbraw/zinc/62/51/30/573625130.db2.gz OPLBCERGXSNZCS-UHFFFAOYSA-N 1 3 196.338 2.051 10 0 AEAEHO CC[C@@H](C)C[N@@H+]1CCCC[C@@H](CN)C1 308659948 573631175 /nfs/dbraw/zinc/63/11/75/573631175.db2.gz PEPQUDQRYQOXIS-NEPJUHHUSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](C)C[N@H+]1CCCC[C@@H](CN)C1 308659948 573631180 /nfs/dbraw/zinc/63/11/80/573631180.db2.gz PEPQUDQRYQOXIS-NEPJUHHUSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@H](N(C)C)C1(C[NH2+]C)CCC1 259536268 573633190 /nfs/dbraw/zinc/63/31/90/573633190.db2.gz NMUPATMRHMQJKJ-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](N(C)C)C1(C[NH2+]C)CCC1 259536264 573634015 /nfs/dbraw/zinc/63/40/15/573634015.db2.gz NMUPATMRHMQJKJ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@H+]1CCCNCC(C)(C)C1 259537935 573636915 /nfs/dbraw/zinc/63/69/15/573636915.db2.gz WLXWYUVNLZWRIQ-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CC(C)CCCC[N@@H+]1CCC[C@H](N)C1 147800089 573635504 /nfs/dbraw/zinc/63/55/04/573635504.db2.gz UDEDHPIQMCHYAF-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)CCCC[N@H+]1CCC[C@H](N)C1 147800089 573635510 /nfs/dbraw/zinc/63/55/10/573635510.db2.gz UDEDHPIQMCHYAF-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@@H+]1CCCNCC(C)(C)C1 259537935 573636910 /nfs/dbraw/zinc/63/69/10/573636910.db2.gz WLXWYUVNLZWRIQ-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CCCCCC[NH2+][C@H]1CCNC[C@@H]1C 308651238 573639666 /nfs/dbraw/zinc/63/96/66/573639666.db2.gz KGXYEIBJLXTYCZ-RYUDHWBXSA-N 1 3 198.354 2.154 10 0 AEAEHO CC(C)C[C@H](C)[N@@H+]1C[C@@H](CN)C[C@H]1C 126714357 573642761 /nfs/dbraw/zinc/64/27/61/573642761.db2.gz GQENWUUDWFSBLK-QJPTWQEYSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@H](C)[N@H+]1C[C@@H](CN)C[C@H]1C 126714357 573642765 /nfs/dbraw/zinc/64/27/65/573642765.db2.gz GQENWUUDWFSBLK-QJPTWQEYSA-N 1 3 198.354 2.090 10 0 AEAEHO Cc1ccccc1[C@@H](N)CC(C)(C)[NH3+] 259536503 573642796 /nfs/dbraw/zinc/64/27/96/573642796.db2.gz WTQRJKYCBMNQOX-NSHDSACASA-N 1 3 192.306 2.122 10 0 AEAEHO CCCCCC[NH2+][C@@H]1CCNC[C@H]1C 308651239 573641769 /nfs/dbraw/zinc/64/17/69/573641769.db2.gz KGXYEIBJLXTYCZ-VXGBXAGGSA-N 1 3 198.354 2.154 10 0 AEAEHO Cc1ccccc1[C@H](N)CC(C)(C)[NH3+] 259536497 573641781 /nfs/dbraw/zinc/64/17/81/573641781.db2.gz WTQRJKYCBMNQOX-LLVKDONJSA-N 1 3 192.306 2.122 10 0 AEAEHO CC[C@H](C)C[N@@H+]1CCC[C@H]1C[C@H](C)N 393667682 573642363 /nfs/dbraw/zinc/64/23/63/573642363.db2.gz NXXVLKWJIGQLAJ-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)C[N@H+]1CCC[C@H]1C[C@H](C)N 393667682 573642364 /nfs/dbraw/zinc/64/23/64/573642364.db2.gz NXXVLKWJIGQLAJ-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]([NH3+])CCN(C)CCC1CCCC1 258829250 573644244 /nfs/dbraw/zinc/64/42/44/573644244.db2.gz VCQNOBLCONNYOS-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](C)C[N@@H+]1CCC[C@H]1C[C@@H](C)N 393667684 573645256 /nfs/dbraw/zinc/64/52/56/573645256.db2.gz NXXVLKWJIGQLAJ-TUAOUCFPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[NH2+]CCN[C@@H]1CCCC1(C)C 308654426 573645136 /nfs/dbraw/zinc/64/51/36/573645136.db2.gz NDBQJRQARXTAIL-LLVKDONJSA-N 1 3 198.354 2.153 10 0 AEAEHO C[NH2+]C(C)(C)CN[C@@H]1CCC[C@H](C)C1 308653841 573645226 /nfs/dbraw/zinc/64/52/26/573645226.db2.gz MEFJFLILUGCADY-WDEREUQCSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@H](C)C[N@H+]1CCC[C@H]1C[C@@H](C)N 393667684 573645262 /nfs/dbraw/zinc/64/52/62/573645262.db2.gz NXXVLKWJIGQLAJ-TUAOUCFPSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)C[C@H](C)[N@@H+]1C[C@@H](CN)C[C@@H]1C 126714557 573645584 /nfs/dbraw/zinc/64/55/84/573645584.db2.gz GQENWUUDWFSBLK-SDDRHHMPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@H](C)[N@H+]1C[C@@H](CN)C[C@@H]1C 126714557 573645592 /nfs/dbraw/zinc/64/55/92/573645592.db2.gz GQENWUUDWFSBLK-SDDRHHMPSA-N 1 3 198.354 2.090 10 0 AEAEHO CCCC(C)(C)C[NH2+]C1CCNCC1 258832813 573646066 /nfs/dbraw/zinc/64/60/66/573646066.db2.gz DIAFQQDWFULMMN-UHFFFAOYSA-N 1 3 198.354 2.154 10 0 AEAEHO CCCC[C@H](C)N(C)C[C@@H]1CC[NH2+]C1 308653441 573646494 /nfs/dbraw/zinc/64/64/94/573646494.db2.gz LXDNOXSKNMRJRN-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)[NH2+]CCN[C@H]1CCCC1(C)C 308654427 573646809 /nfs/dbraw/zinc/64/68/09/573646809.db2.gz NDBQJRQARXTAIL-NSHDSACASA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[C@H](C)[N@@H+]1C[C@H](CN)C[C@H]1C 126714796 573646857 /nfs/dbraw/zinc/64/68/57/573646857.db2.gz GQENWUUDWFSBLK-TUAOUCFPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@H](C)[N@H+]1C[C@H](CN)C[C@H]1C 126714796 573646865 /nfs/dbraw/zinc/64/68/65/573646865.db2.gz GQENWUUDWFSBLK-TUAOUCFPSA-N 1 3 198.354 2.090 10 0 AEAEHO CNCC1(C[NH2+]CCC(C)(C)C)CC1 258829057 573646902 /nfs/dbraw/zinc/64/69/02/573646902.db2.gz CZIQHBKYGBUXLE-UHFFFAOYSA-N 1 3 198.354 2.012 10 0 AEAEHO CCN(C)C[C@@H]1CCCC(C)(C)[C@@H]1[NH3+] 86850904 573649981 /nfs/dbraw/zinc/64/99/81/573649981.db2.gz QAJCDHBWICCLMB-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@H+](C)C[C@@H]1CCCC(C)(C)[C@@H]1N 86850904 573649985 /nfs/dbraw/zinc/64/99/85/573649985.db2.gz QAJCDHBWICCLMB-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](C)C[C@@H]1CCCC(C)(C)[C@@H]1N 86850904 573649990 /nfs/dbraw/zinc/64/99/90/573649990.db2.gz QAJCDHBWICCLMB-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCC[N@@H+]1CC[C@H](CNC)C1(C)C 259543712 573654328 /nfs/dbraw/zinc/65/43/28/573654328.db2.gz WUSTVHLWBXVPHJ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@H+]1CC[C@H](CNC)C1(C)C 259543712 573654334 /nfs/dbraw/zinc/65/43/34/573654334.db2.gz WUSTVHLWBXVPHJ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@H]1CCCC[N@@H+]1CCC1(N)CCC1 86853795 573654460 /nfs/dbraw/zinc/65/44/60/573654460.db2.gz JEUMZTSTTQJHAN-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO C[C@H]1CCCC[N@H+]1CCC1(N)CCC1 86853795 573654467 /nfs/dbraw/zinc/65/44/67/573654467.db2.gz JEUMZTSTTQJHAN-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO C[C@H]1CCCCN1CCC1([NH3+])CCC1 86853795 573654473 /nfs/dbraw/zinc/65/44/73/573654473.db2.gz JEUMZTSTTQJHAN-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO CC(C)[N@H+](C)C[C@H]1CCC(C)(C)[C@@H]1N 86871105 573666422 /nfs/dbraw/zinc/66/64/22/573666422.db2.gz ICUIKJQVZOFVML-GHMZBOCLSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[N@@H+](C)C[C@H]1CCC(C)(C)[C@@H]1N 86871105 573666434 /nfs/dbraw/zinc/66/64/34/573666434.db2.gz ICUIKJQVZOFVML-GHMZBOCLSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@H](C(C)C)[N@@H+]1C[C@H](CN)C[C@@H]1C 126760036 573669720 /nfs/dbraw/zinc/66/97/20/573669720.db2.gz CBFKFLMOENYSKM-SDDRHHMPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@H](C(C)C)[N@H+]1C[C@H](CN)C[C@@H]1C 126760036 573669727 /nfs/dbraw/zinc/66/97/27/573669727.db2.gz CBFKFLMOENYSKM-SDDRHHMPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC1(C)C[C@@H]([NH2+]C2CCCC2)CCN1 258660174 573669877 /nfs/dbraw/zinc/66/98/77/573669877.db2.gz GMLDZGAIJLVRMQ-NSHDSACASA-N 1 3 196.338 2.049 10 0 AEAEHO CC[C@@H](CN)C[NH2+]CCC1CCCC1 258860131 573670584 /nfs/dbraw/zinc/67/05/84/573670584.db2.gz AKNYYKHYSIRTJF-NSHDSACASA-N 1 3 198.354 2.141 10 0 AEAEHO C[C@H]1c2ccc(C[NH3+])cc2[C@@H](C)N1C 107928435 573670744 /nfs/dbraw/zinc/67/07/44/573670744.db2.gz GGXZJRMLFLKEJI-DTWKUNHWSA-N 1 3 190.290 2.213 10 0 AEAEHO C[C@H]1c2cc(C[NH3+])ccc2[C@@H](C)N1C 107928426 573671964 /nfs/dbraw/zinc/67/19/64/573671964.db2.gz GGXZJRMLFLKEJI-BDAKNGLRSA-N 1 3 190.290 2.213 10 0 AEAEHO CCC(C)(C)C[NH2+]CC1(CNC)CC1 258869356 573672445 /nfs/dbraw/zinc/67/24/45/573672445.db2.gz HTNZDXAIOJKIBO-UHFFFAOYSA-N 1 3 198.354 2.012 10 0 AEAEHO CC[C@H](CN)C[NH2+]CCC1CCCC1 258860129 573672832 /nfs/dbraw/zinc/67/28/32/573672832.db2.gz AKNYYKHYSIRTJF-LLVKDONJSA-N 1 3 198.354 2.141 10 0 AEAEHO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CC[C@H](N)C1 86873412 573672868 /nfs/dbraw/zinc/67/28/68/573672868.db2.gz RFGGOEUGHRARLN-AXFHLTTASA-N 1 3 196.338 2.035 10 0 AEAEHO CC(C)CC[NH2+][C@@H]1CC[C@@H](N(C)C)C1 308662878 573673009 /nfs/dbraw/zinc/67/30/09/573673009.db2.gz QXTISYJFTAFGMD-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)CC[NH2+][C@@H]1CC[C@H](N(C)C)C1 308662872 573673547 /nfs/dbraw/zinc/67/35/47/573673547.db2.gz QXTISYJFTAFGMD-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)CC[NH2+][C@H]1CC[C@@H](N(C)C)C1 308662874 573673832 /nfs/dbraw/zinc/67/38/32/573673832.db2.gz QXTISYJFTAFGMD-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@@H]1c2ccc(C[NH3+])cc2[C@@H](C)N1C 107928432 573674932 /nfs/dbraw/zinc/67/49/32/573674932.db2.gz GGXZJRMLFLKEJI-RKDXNWHRSA-N 1 3 190.290 2.213 10 0 AEAEHO C[C@H]1c2ccc(C[NH3+])cc2[C@H](C)N1C 107928429 573675266 /nfs/dbraw/zinc/67/52/66/573675266.db2.gz GGXZJRMLFLKEJI-IUCAKERBSA-N 1 3 190.290 2.213 10 0 AEAEHO CCCC(C)(C)CNCC[NH2+]CC 258866220 573676234 /nfs/dbraw/zinc/67/62/34/573676234.db2.gz JFLPAJBEWCTOFS-UHFFFAOYSA-N 1 3 186.343 2.012 10 0 AEAEHO CC[C@H](C)[C@H](C)[N@@H+]1C[C@H](CN)C[C@@H]1C 126788867 573684041 /nfs/dbraw/zinc/68/40/41/573684041.db2.gz LCQVSBGBIUZHPW-BJDJZHNGSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@H](C)[C@H](C)[N@H+]1C[C@H](CN)C[C@@H]1C 126788867 573684047 /nfs/dbraw/zinc/68/40/47/573684047.db2.gz LCQVSBGBIUZHPW-BJDJZHNGSA-N 1 3 198.354 2.090 10 0 AEAEHO CN(CCC(C)(C)C)CC1(C[NH3+])CC1 258880176 573684198 /nfs/dbraw/zinc/68/41/98/573684198.db2.gz IWWVPUQODYAONE-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](C)[N@@H+]1CCC[C@@H](CN)C1(C)C 259170300 573685196 /nfs/dbraw/zinc/68/51/96/573685196.db2.gz ARHWPLQPTASMIZ-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@H+]1CCC[C@@H](CN)C1(C)C 259170300 573685199 /nfs/dbraw/zinc/68/51/99/573685199.db2.gz ARHWPLQPTASMIZ-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CN[C@@H]1CC[N@H+](CCC(C)C)C1(C)C 259159620 573688558 /nfs/dbraw/zinc/68/85/58/573688558.db2.gz ACKOGQAYRZPVFN-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H]1CC[N@@H+](CCC(C)C)C1(C)C 259159620 573688565 /nfs/dbraw/zinc/68/85/65/573688565.db2.gz ACKOGQAYRZPVFN-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@@H+]1CCC[C@H](CN)C1(C)C 259170302 573688797 /nfs/dbraw/zinc/68/87/97/573688797.db2.gz ARHWPLQPTASMIZ-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@H+]1CCC[C@H](CN)C1(C)C 259170302 573688802 /nfs/dbraw/zinc/68/88/02/573688802.db2.gz ARHWPLQPTASMIZ-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](C)[N@@H+]1CCC[C@@H](CN)C1(C)C 259170297 573689667 /nfs/dbraw/zinc/68/96/67/573689667.db2.gz ARHWPLQPTASMIZ-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](C)[N@H+]1CCC[C@@H](CN)C1(C)C 259170297 573689672 /nfs/dbraw/zinc/68/96/72/573689672.db2.gz ARHWPLQPTASMIZ-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@@H+]1CCCNCC(C)(C)C1 259556861 573694066 /nfs/dbraw/zinc/69/40/66/573694066.db2.gz XPNOAVPBJDYBGZ-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)[N@H+]1CCCNCC(C)(C)C1 259556861 573694069 /nfs/dbraw/zinc/69/40/69/573694069.db2.gz XPNOAVPBJDYBGZ-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCN(CC)CCC[NH2+]CCC1CC1 83926311 573705129 /nfs/dbraw/zinc/70/51/29/573705129.db2.gz IEBNTWWTLSZTTQ-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO C[C@H](N)CC[NH2+][C@@]1(C)CCCC[C@@H]1C 308690924 573705339 /nfs/dbraw/zinc/70/53/39/573705339.db2.gz GEQWYTPYOLBMBX-SRVKXCTJSA-N 1 3 198.354 2.282 10 0 AEAEHO C[C@H](N)CC[NH2+][C@]1(C)CCCC[C@@H]1C 308690923 573708383 /nfs/dbraw/zinc/70/83/83/573708383.db2.gz GEQWYTPYOLBMBX-SDDRHHMPSA-N 1 3 198.354 2.282 10 0 AEAEHO CC[C@]1(C[C@H]2CCCCN2)CCC[NH2+]1 258104832 573721950 /nfs/dbraw/zinc/72/19/50/573721950.db2.gz HJDYXGZATUAIAD-VXGBXAGGSA-N 1 3 196.338 2.051 10 0 AEAEHO CC[C@]1(C[C@@H]2CCCCN2)CCC[NH2+]1 258104827 573722843 /nfs/dbraw/zinc/72/28/43/573722843.db2.gz HJDYXGZATUAIAD-NWDGAFQWSA-N 1 3 196.338 2.051 10 0 AEAEHO CC[C@@]1(C[C@H]2CCCCN2)CCC[NH2+]1 258104824 573724612 /nfs/dbraw/zinc/72/46/12/573724612.db2.gz HJDYXGZATUAIAD-NEPJUHHUSA-N 1 3 196.338 2.051 10 0 AEAEHO CN(CCC1CCC1)CCC(C)(C)[NH3+] 258891920 573726770 /nfs/dbraw/zinc/72/67/70/573726770.db2.gz LLVYWSWBLMRPJY-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)CCCNCC[C@@H]1CCC[NH2+]1 258896473 573735798 /nfs/dbraw/zinc/73/57/98/573735798.db2.gz CYFPRXQOGSRDDH-LBPRGKRZSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[N@H+](C(C)C)[C@H](CC)C1CNC1 716142874 573736916 /nfs/dbraw/zinc/73/69/16/573736916.db2.gz ITBCASXBWLFOSU-GFCCVEGCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@H](CC)C1CNC1 716142874 573736921 /nfs/dbraw/zinc/73/69/21/573736921.db2.gz ITBCASXBWLFOSU-GFCCVEGCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@@H+](C(C)C)[C@@H](CC)C1CNC1 716142879 573740930 /nfs/dbraw/zinc/74/09/30/573740930.db2.gz ITBCASXBWLFOSU-LBPRGKRZSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[N@H+](C(C)C)[C@@H](CC)C1CNC1 716142879 573740923 /nfs/dbraw/zinc/74/09/23/573740923.db2.gz ITBCASXBWLFOSU-LBPRGKRZSA-N 1 3 198.354 2.105 10 0 AEAEHO CNCCC[NH2+][C@]1(C)CCCC[C@@H]1C 308698810 573741713 /nfs/dbraw/zinc/74/17/13/573741713.db2.gz QMCBQTYRRMDGNQ-NWDGAFQWSA-N 1 3 198.354 2.154 10 0 AEAEHO CNCCC[NH2+][C@@]1(C)CCCC[C@H]1C 308698809 573743328 /nfs/dbraw/zinc/74/33/28/573743328.db2.gz QMCBQTYRRMDGNQ-NEPJUHHUSA-N 1 3 198.354 2.154 10 0 AEAEHO C[NH2+]C(C)(C)CNC[C@H]1CC[C@H](C)C1 308701408 573746929 /nfs/dbraw/zinc/74/69/29/573746929.db2.gz VCNVZGFBGKWMNC-QWRGUYRKSA-N 1 3 198.354 2.010 10 0 AEAEHO C[NH2+]C(C)(C)CNC[C@H]1CC[C@@H](C)C1 308701407 573748645 /nfs/dbraw/zinc/74/86/45/573748645.db2.gz VCNVZGFBGKWMNC-MNOVXSKESA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@@H]1CC[C@@H](C)[N@H+](CCC(C)(C)N)C1 84052011 573758547 /nfs/dbraw/zinc/75/85/47/573758547.db2.gz VCDATTASOVYRFM-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]1CC[C@@H](C)[N@@H+](CCC(C)(C)N)C1 84052011 573758553 /nfs/dbraw/zinc/75/85/53/573758553.db2.gz VCDATTASOVYRFM-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CC[C@@H](C)[N@H+](CCC(C)(C)N)C1 84052017 573758647 /nfs/dbraw/zinc/75/86/47/573758647.db2.gz VCDATTASOVYRFM-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CC[C@@H](C)[N@@H+](CCC(C)(C)N)C1 84052017 573758653 /nfs/dbraw/zinc/75/86/53/573758653.db2.gz VCDATTASOVYRFM-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@H+](CCCN)CC(C)C 43417262 573759258 /nfs/dbraw/zinc/75/92/58/573759258.db2.gz ASRJXYHIQPETIN-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](C)[N@@H+](CCCN)CC(C)C 43417262 573759262 /nfs/dbraw/zinc/75/92/62/573759262.db2.gz ASRJXYHIQPETIN-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CC(C)(C)[C@@H](CN)C[NH+]1CCCCC1 258121065 573759354 /nfs/dbraw/zinc/75/93/54/573759354.db2.gz LHWIGHNDJUQBRG-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)(C)[C@H](CN)C[NH+]1CCCCC1 258121064 573759672 /nfs/dbraw/zinc/75/96/72/573759672.db2.gz LHWIGHNDJUQBRG-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO Cc1ccc(C)c([C@@H](N)C[C@@H](C)[NH3+])c1 259179981 573771269 /nfs/dbraw/zinc/77/12/69/573771269.db2.gz FFKIZNLYRMXINE-PWSUYJOCSA-N 1 3 192.306 2.041 10 0 AEAEHO CC(C)(C)[N@@H+]1C[C@H](CN)CCC1(C)C 259179108 573776125 /nfs/dbraw/zinc/77/61/25/573776125.db2.gz BBDPICQXIBFCPA-JTQLQIEISA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)(C)[N@H+]1C[C@H](CN)CCC1(C)C 259179108 573776128 /nfs/dbraw/zinc/77/61/28/573776128.db2.gz BBDPICQXIBFCPA-JTQLQIEISA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)(C)[N@@H+]1C[C@@H](CN)CCC1(C)C 259179111 573775939 /nfs/dbraw/zinc/77/59/39/573775939.db2.gz BBDPICQXIBFCPA-SNVBAGLBSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)(C)[N@H+]1C[C@@H](CN)CCC1(C)C 259179111 573775943 /nfs/dbraw/zinc/77/59/43/573775943.db2.gz BBDPICQXIBFCPA-SNVBAGLBSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H]([NH2+][C@H](C)[C@@H](C)CC)C1CNC1 716170025 573777108 /nfs/dbraw/zinc/77/71/08/573777108.db2.gz ZHNUHQDKZHQMKA-UMNHJUIQSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[NH2+]CCNCC(C)(C)C1CCC1 258936621 573777216 /nfs/dbraw/zinc/77/72/16/573777216.db2.gz PWMCZXNYGOGZGR-UHFFFAOYSA-N 1 3 198.354 2.012 10 0 AEAEHO CCCCCC[NH2+][C@@H](CC)C1CNC1 716169822 573777255 /nfs/dbraw/zinc/77/72/55/573777255.db2.gz YHXAYDYRQUJFLO-LBPRGKRZSA-N 1 3 198.354 2.154 10 0 AEAEHO CC[C@H]([NH2+][C@@H](C)[C@@H](C)CC)C1CNC1 716170017 573777886 /nfs/dbraw/zinc/77/78/86/573777886.db2.gz ZHNUHQDKZHQMKA-NHCYSSNCSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@]1(CCN2CCCC2)CCC[NH2+]1 258130146 573787936 /nfs/dbraw/zinc/78/79/36/573787936.db2.gz IXSQRCHAXKDIJX-GFCCVEGCSA-N 1 3 196.338 2.005 10 0 AEAEHO C[C@H]([NH3+])C[C@H](N)c1ccc(Cl)cc1 259187906 573788336 /nfs/dbraw/zinc/78/83/36/573788336.db2.gz FMLJVRXBEHTPLN-XVKPBYJWSA-N 1 3 198.697 2.077 10 0 AEAEHO CCCCN(CCC(N)=[NH2+])CC(C)C 43423031 573788365 /nfs/dbraw/zinc/78/83/65/573788365.db2.gz ZDIOXJXUJCDMCW-UHFFFAOYSA-N 1 3 199.342 2.071 10 0 AEAEHO CC[C@@]1(CCN2CCCC2)CCC[NH2+]1 258130148 573788693 /nfs/dbraw/zinc/78/86/93/573788693.db2.gz IXSQRCHAXKDIJX-LBPRGKRZSA-N 1 3 196.338 2.005 10 0 AEAEHO C[C@@H]([NH3+])C[C@H](N)c1ccc(Cl)cc1 259187901 573790484 /nfs/dbraw/zinc/79/04/84/573790484.db2.gz FMLJVRXBEHTPLN-XCBNKYQSSA-N 1 3 198.697 2.077 10 0 AEAEHO CC[NH2+][C@H](C)C[C@@H](C)N(C)C1CCC1 127294178 573790553 /nfs/dbraw/zinc/79/05/53/573790553.db2.gz QKQLCVURQLJDQE-GHMZBOCLSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[NH2+][C@H](C)C[C@H](C)N(C)C1CCC1 127294605 573793058 /nfs/dbraw/zinc/79/30/58/573793058.db2.gz QKQLCVURQLJDQE-MNOVXSKESA-N 1 3 198.354 2.247 10 0 AEAEHO CC[NH2+][C@@H]1CC[C@@H](N(C)C2CCC2)C1 127309282 573796703 /nfs/dbraw/zinc/79/67/03/573796703.db2.gz SMYRIVFAHSZHRU-ZYHUDNBSSA-N 1 3 196.338 2.001 10 0 AEAEHO CCN[C@@H]1CC[C@@H]([N@H+](C)C2CCC2)C1 127309282 573796710 /nfs/dbraw/zinc/79/67/10/573796710.db2.gz SMYRIVFAHSZHRU-ZYHUDNBSSA-N 1 3 196.338 2.001 10 0 AEAEHO CCN[C@@H]1CC[C@@H]([N@@H+](C)C2CCC2)C1 127309282 573796718 /nfs/dbraw/zinc/79/67/18/573796718.db2.gz SMYRIVFAHSZHRU-ZYHUDNBSSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[NH2+][C@H]1CC[C@@H](N(C)C2CCC2)C1 127309481 573798114 /nfs/dbraw/zinc/79/81/14/573798114.db2.gz SMYRIVFAHSZHRU-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO CCN[C@H]1CC[C@@H]([N@H+](C)C2CCC2)C1 127309481 573798118 /nfs/dbraw/zinc/79/81/18/573798118.db2.gz SMYRIVFAHSZHRU-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO CCN[C@H]1CC[C@@H]([N@@H+](C)C2CCC2)C1 127309481 573798121 /nfs/dbraw/zinc/79/81/21/573798121.db2.gz SMYRIVFAHSZHRU-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[NH2+][C@H]1CC[C@H](N(C)C2CCC2)C1 127309043 573798382 /nfs/dbraw/zinc/79/83/82/573798382.db2.gz SMYRIVFAHSZHRU-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CCN[C@H]1CC[C@H]([N@H+](C)C2CCC2)C1 127309043 573798390 /nfs/dbraw/zinc/79/83/90/573798390.db2.gz SMYRIVFAHSZHRU-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CCN[C@H]1CC[C@H]([N@@H+](C)C2CCC2)C1 127309043 573798397 /nfs/dbraw/zinc/79/83/97/573798397.db2.gz SMYRIVFAHSZHRU-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)(C)CNC[C@@]1(C)CCCC[NH2+]1 127363650 573813060 /nfs/dbraw/zinc/81/30/60/573813060.db2.gz VGRLGDRKRSWQBO-GFCCVEGCSA-N 1 3 198.354 2.154 10 0 AEAEHO CC(C)(C)CNC[C@]1(C)CCCC[NH2+]1 127363905 573815938 /nfs/dbraw/zinc/81/59/38/573815938.db2.gz VGRLGDRKRSWQBO-LBPRGKRZSA-N 1 3 198.354 2.154 10 0 AEAEHO C[C@]1(CCN2CCCCC2)CCC[NH2+]1 258146495 573817356 /nfs/dbraw/zinc/81/73/56/573817356.db2.gz KASINTDVGLFIPV-GFCCVEGCSA-N 1 3 196.338 2.005 10 0 AEAEHO C[C@@]1(CCN2CCCCC2)CCC[NH2+]1 258146498 573818015 /nfs/dbraw/zinc/81/80/15/573818015.db2.gz KASINTDVGLFIPV-LBPRGKRZSA-N 1 3 196.338 2.005 10 0 AEAEHO CC[C@@H]1CN(CC=C(C)C)CC[C@@H]1[NH3+] 122800126 573824108 /nfs/dbraw/zinc/82/41/08/573824108.db2.gz FWWBOZMFAJNPIB-NEPJUHHUSA-N 1 3 196.338 2.012 10 0 AEAEHO CCC[C@@H](C)[N@H+](CCCN)C1CCC1 233275597 573826955 /nfs/dbraw/zinc/82/69/55/573826955.db2.gz JWISGAYUJAXSHD-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC(C)(C)[NH2+]C[C@@H]1CCCCC[C@@H]1N 87222503 573834449 /nfs/dbraw/zinc/83/44/49/573834449.db2.gz JVBORTQKSZSIMN-QWRGUYRKSA-N 1 3 198.354 2.282 10 0 AEAEHO CCN(C)CC1(C[NH3+])CCCCCC1 84330044 573832641 /nfs/dbraw/zinc/83/26/41/573832641.db2.gz NLOQEFRJQSDOML-UHFFFAOYSA-N 1 3 198.354 2.237 10 0 AEAEHO CC(C)(C)[NH2+]C[C@H]1CCCCC[C@@H]1N 87222505 573832999 /nfs/dbraw/zinc/83/29/99/573832999.db2.gz JVBORTQKSZSIMN-MNOVXSKESA-N 1 3 198.354 2.282 10 0 AEAEHO CC(C)(C)[NH2+]C[C@@H]1CCCCC[C@H]1N 87222507 573833555 /nfs/dbraw/zinc/83/35/55/573833555.db2.gz JVBORTQKSZSIMN-WDEREUQCSA-N 1 3 198.354 2.282 10 0 AEAEHO N[C@@H]1CCCCC[C@@H]1C[NH2+]C1CCC1 87222630 573833623 /nfs/dbraw/zinc/83/36/23/573833623.db2.gz UYRJGHZRTCVOBM-ZYHUDNBSSA-N 1 3 196.338 2.036 10 0 AEAEHO [NH3+][C@H](CNC1CCC1)C1CCCCC1 258153652 573833940 /nfs/dbraw/zinc/83/39/40/573833940.db2.gz HHVJJFZNGSBSPI-GFCCVEGCSA-N 1 3 196.338 2.036 10 0 AEAEHO N[C@H]1CCCCC[C@@H]1C[NH2+]C1CCC1 87222634 573836159 /nfs/dbraw/zinc/83/61/59/573836159.db2.gz UYRJGHZRTCVOBM-PWSUYJOCSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@H](CN)[C@@H](C1CCCC1)[NH+](C)C 259573568 573836587 /nfs/dbraw/zinc/83/65/87/573836587.db2.gz PJYVJFOPEQSBHY-PWSUYJOCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)(C[NH2+]CCCN)C1=CCCC1 308763844 573836890 /nfs/dbraw/zinc/83/68/90/573836890.db2.gz JRIJEYQQZOOTBT-UHFFFAOYSA-N 1 3 196.338 2.061 10 0 AEAEHO CC[C@@H](CN)[C@@H](C1CCCC1)[NH+](C)C 259573565 573836963 /nfs/dbraw/zinc/83/69/63/573836963.db2.gz PJYVJFOPEQSBHY-JQWIXIFHSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@@H]1C[C@H]1NC[C@@H]([NH3+])[C@H](C)CC 308448615 573837253 /nfs/dbraw/zinc/83/72/53/573837253.db2.gz BMPRPVAAYNOVEW-DDHJBXDOSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@@H](C)[NH2+][C@H](C)CCN1CCCC1 308761553 573840736 /nfs/dbraw/zinc/84/07/36/573840736.db2.gz YCKKBWNMKNNKBA-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)[NH2+][C@@H](C)CCN1CCCC1 308761538 573841506 /nfs/dbraw/zinc/84/15/06/573841506.db2.gz YCKKBWNMKNNKBA-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO C[C@H](CN)C[NH2+][C@]1(C)CCCC[C@H]1C 308760394 573843666 /nfs/dbraw/zinc/84/36/66/573843666.db2.gz WXIUPXKTTBTMGH-IJLUTSLNSA-N 1 3 198.354 2.140 10 0 AEAEHO Cc1ccc([C@H](N)CCC(C)(C)[NH3+])o1 259210105 573848425 /nfs/dbraw/zinc/84/84/25/573848425.db2.gz GJNQDGNYLVYIPX-SECBINFHSA-N 1 3 196.294 2.105 10 0 AEAEHO CN(C)[C@H](C[C@@H]1CCC[NH2+]1)C(C)(C)C 259213059 573850537 /nfs/dbraw/zinc/85/05/37/573850537.db2.gz AGSQAJKHYVFKNX-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CN(C)[C@H](C[C@H]1CCC[NH2+]1)C(C)(C)C 259213043 573853488 /nfs/dbraw/zinc/85/34/88/573853488.db2.gz AGSQAJKHYVFKNX-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO C[N@H+](CC(C)(C)C)C(C)(C)CCN 258969474 573854278 /nfs/dbraw/zinc/85/42/78/573854278.db2.gz YOYSISVLKLIVET-UHFFFAOYSA-N 1 3 186.343 2.092 10 0 AEAEHO C[N@@H+](CC(C)(C)C)C(C)(C)CCN 258969474 573854285 /nfs/dbraw/zinc/85/42/85/573854285.db2.gz YOYSISVLKLIVET-UHFFFAOYSA-N 1 3 186.343 2.092 10 0 AEAEHO Cc1ccc([C@H]([NH3+])C(C)(C)N)cc1C 259213313 573859543 /nfs/dbraw/zinc/85/95/43/573859543.db2.gz GNLOWMUOIOIDTJ-NSHDSACASA-N 1 3 192.306 2.041 10 0 AEAEHO Cc1ccc([C@@H]([NH3+])C(C)(C)N)cc1C 259213303 573859867 /nfs/dbraw/zinc/85/98/67/573859867.db2.gz GNLOWMUOIOIDTJ-LLVKDONJSA-N 1 3 192.306 2.041 10 0 AEAEHO CCC[NH2+][C@@H](C)CCN(CC)CC 43809714 573860781 /nfs/dbraw/zinc/86/07/81/573860781.db2.gz IGRDTYFQUWPXET-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CC[NH2+][C@@H](C)CCN1CCCC[C@@H]1C 43810189 573863300 /nfs/dbraw/zinc/86/33/00/573863300.db2.gz YAHBRLVBXASXGZ-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+][C@@H](C)CCN1CCC(C)CC1 43806785 573864026 /nfs/dbraw/zinc/86/40/26/573864026.db2.gz GKKGAZHSLNVUBZ-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCCN(C)CC[C@H](C)[NH2+]C 43889245 573867730 /nfs/dbraw/zinc/86/77/30/573867730.db2.gz UYLULPOWEQQHIF-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCC(C)(C)CNC(C)(C)C[NH2+]C 258974560 573867865 /nfs/dbraw/zinc/86/78/65/573867865.db2.gz ZFNLORXQGGRNFO-UHFFFAOYSA-N 1 3 186.343 2.010 10 0 AEAEHO CCC1CCN(CC[C@H](C)[NH2+]C)CC1 43913314 573867950 /nfs/dbraw/zinc/86/79/50/573867950.db2.gz GZYNBVKNZGFAKG-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH2+][C@@H](C)CCN(C)CC1CC1 43906729 573870946 /nfs/dbraw/zinc/87/09/46/573870946.db2.gz WNVBUNLWDJUUQZ-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH2+][C@H](C)CCN(C)CCC 43886460 573868212 /nfs/dbraw/zinc/86/82/12/573868212.db2.gz OEOSUTOIRGNZEL-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCCN(CC)CC[C@H](C)[NH2+]CC 43884688 573868279 /nfs/dbraw/zinc/86/82/79/573868279.db2.gz KVHJFCOKUSEMIC-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCCCN(C)CC[C@@H](C)[NH2+]CC 43817049 573868396 /nfs/dbraw/zinc/86/83/96/573868396.db2.gz NTNTZASRDLTPLT-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CC[C@H]1CCC[N@H+](CC[C@@H](C)NC)C1 43896721 573868725 /nfs/dbraw/zinc/86/87/25/573868725.db2.gz RKUOZRNEVLJGON-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H]1CCC[N@@H+](CC[C@@H](C)NC)C1 43896721 573868731 /nfs/dbraw/zinc/86/87/31/573868731.db2.gz RKUOZRNEVLJGON-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H]1CCCN(CC[C@@H](C)[NH2+]C)C1 43896721 573868735 /nfs/dbraw/zinc/86/87/35/573868735.db2.gz RKUOZRNEVLJGON-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCN(CC[C@@H](C)[NH2+]C)C1CC1 43968113 573869385 /nfs/dbraw/zinc/86/93/85/573869385.db2.gz ULQRUZBZXPQDRF-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCN(CC)CC[C@@H](C)[NH2+]CC 43884686 573869406 /nfs/dbraw/zinc/86/94/06/573869406.db2.gz KVHJFCOKUSEMIC-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCCN(CC[C@@H](C)[NH2+]CC)C1CC1 43885652 573869651 /nfs/dbraw/zinc/86/96/51/573869651.db2.gz IJPKPLGKQWVKGC-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCN(CC)CC[C@@H](C)[NH2+]C 43817545 573870368 /nfs/dbraw/zinc/87/03/68/573870368.db2.gz HFLAEOAYRPSZSR-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCCC[N@H+](CC)CC[C@@H](C)NC 43817545 573870375 /nfs/dbraw/zinc/87/03/75/573870375.db2.gz HFLAEOAYRPSZSR-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCCC[N@@H+](CC)CC[C@@H](C)NC 43817545 573870380 /nfs/dbraw/zinc/87/03/80/573870380.db2.gz HFLAEOAYRPSZSR-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCN[C@@H](C)CC[NH2+][C@H](C)C(C)C 716314067 573870816 /nfs/dbraw/zinc/87/08/16/573870816.db2.gz PTCONKXMJWUMEX-WDEREUQCSA-N 1 3 186.343 2.009 10 0 AEAEHO CCC[NH+](CCC)CC[C@H](C)NC 43814738 573870786 /nfs/dbraw/zinc/87/07/86/573870786.db2.gz NPNFGNISFNENBI-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[NH2+][C@H](C)CCN(C)CC1CC1 43906731 573871976 /nfs/dbraw/zinc/87/19/76/573871976.db2.gz WNVBUNLWDJUUQZ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCN(CC)CC[C@H](C)[NH2+]C 43817547 573873388 /nfs/dbraw/zinc/87/33/88/573873388.db2.gz HFLAEOAYRPSZSR-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCCC[N@H+](CC)CC[C@H](C)NC 43817547 573873393 /nfs/dbraw/zinc/87/33/93/573873393.db2.gz HFLAEOAYRPSZSR-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCCC[N@@H+](CC)CC[C@H](C)NC 43817547 573873399 /nfs/dbraw/zinc/87/33/99/573873399.db2.gz HFLAEOAYRPSZSR-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCCCN(C)CC[C@H](C)[NH2+]CC 43817051 573873564 /nfs/dbraw/zinc/87/35/64/573873564.db2.gz NTNTZASRDLTPLT-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[NH2+][C@H](C)CCN(C)C(C)C 43813833 573873766 /nfs/dbraw/zinc/87/37/66/573873766.db2.gz ZGDNEQOXHFVGGH-LLVKDONJSA-N 1 3 186.343 2.105 10 0 AEAEHO CC[C@H](C)[N@H+](CC)CC[C@@H](C)NC 43888677 573873605 /nfs/dbraw/zinc/87/36/05/573873605.db2.gz KTZJRCHYENHUGC-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CC[C@H](C)[N@@H+](CC)CC[C@@H](C)NC 43888677 573873607 /nfs/dbraw/zinc/87/36/07/573873607.db2.gz KTZJRCHYENHUGC-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CC(C)(C)CC[NH2+]CC1(CN)CCC1 258978720 573874780 /nfs/dbraw/zinc/87/47/80/573874780.db2.gz ULNVBVAUSVHGAB-UHFFFAOYSA-N 1 3 198.354 2.141 10 0 AEAEHO CNCC1([C@@H](CC(C)C)[NH2+]C)CCC1 259578899 573876806 /nfs/dbraw/zinc/87/68/06/573876806.db2.gz XDBOADUFKADXFD-LLVKDONJSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[N@H+](CC[C@@H](C)NC)CC1CC1 43967407 573878783 /nfs/dbraw/zinc/87/87/83/573878783.db2.gz FCBXQERFDRDTFQ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@@H+](CC[C@@H](C)NC)CC1CC1 43967407 573878791 /nfs/dbraw/zinc/87/87/91/573878791.db2.gz FCBXQERFDRDTFQ-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@@H](C)CC[N@H+](CC1CC1)C(C)C 43974497 573878984 /nfs/dbraw/zinc/87/89/84/573878984.db2.gz OKDNBUZRJSCMSF-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H](C)CC[N@@H+](CC1CC1)C(C)C 43974497 573878989 /nfs/dbraw/zinc/87/89/89/573878989.db2.gz OKDNBUZRJSCMSF-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@H](C)CCN(CC(C)C)C1CC1 43972234 573880229 /nfs/dbraw/zinc/88/02/29/573880229.db2.gz QVIRENODAACUKP-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H](C)CC[N@H+](CC(C)C)C1CC1 43972234 573880233 /nfs/dbraw/zinc/88/02/33/573880233.db2.gz QVIRENODAACUKP-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H](C)CC[N@@H+](CC(C)C)C1CC1 43972234 573880240 /nfs/dbraw/zinc/88/02/40/573880240.db2.gz QVIRENODAACUKP-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 40622002 573881330 /nfs/dbraw/zinc/88/13/30/573881330.db2.gz OOIQZCJTJKASAC-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 40621997 573881794 /nfs/dbraw/zinc/88/17/94/573881794.db2.gz OOIQZCJTJKASAC-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO C[N@H+](CC[C@H](N)C(C)(C)C)C1CCC1 127511013 573889245 /nfs/dbraw/zinc/88/92/45/573889245.db2.gz PBAWJMIWFORFJE-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CNCC1(C[NH2+]CCCC(C)C)CC1 258987862 573889035 /nfs/dbraw/zinc/88/90/35/573889035.db2.gz VIKKFQSEFHIJQW-UHFFFAOYSA-N 1 3 198.354 2.012 10 0 AEAEHO C[N@@H+](CC[C@H](N)C(C)(C)C)C1CCC1 127511013 573889249 /nfs/dbraw/zinc/88/92/49/573889249.db2.gz PBAWJMIWFORFJE-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CN(CC[C@H]([NH3+])C(C)(C)C)C1CCC1 127511013 573889240 /nfs/dbraw/zinc/88/92/40/573889240.db2.gz PBAWJMIWFORFJE-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)CC[N@@H+]1C[C@H](CN)CC1(C)C 259222468 573892243 /nfs/dbraw/zinc/89/22/43/573892243.db2.gz CZUCETSYIDSHPZ-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[N@H+]1C[C@H](CN)CC1(C)C 259222468 573892247 /nfs/dbraw/zinc/89/22/47/573892247.db2.gz CZUCETSYIDSHPZ-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CN(CC[C@H]1CCCC[NH2+]1)C1CCC1 127456604 573901818 /nfs/dbraw/zinc/90/18/18/573901818.db2.gz KHFCUOVOIKMFRI-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)(C)[N@@H+]1CCC[C@H](CN)C1(C)C 259231195 573903648 /nfs/dbraw/zinc/90/36/48/573903648.db2.gz DINRTAYEXAQTIT-SNVBAGLBSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)(C)[N@H+]1CCC[C@H](CN)C1(C)C 259231195 573903655 /nfs/dbraw/zinc/90/36/55/573903655.db2.gz DINRTAYEXAQTIT-SNVBAGLBSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCCCN1CC[C@@H]([NH3+])C(C)(C)C1 259226228 573905103 /nfs/dbraw/zinc/90/51/03/573905103.db2.gz KRZDUANWYCAOBZ-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)CC[N@@H+]1C[C@H](CN)CC[C@@H]1C 44412923 573909641 /nfs/dbraw/zinc/90/96/41/573909641.db2.gz AWBVDOAQSAWIPA-RYUDHWBXSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[N@H+]1C[C@H](CN)CC[C@@H]1C 44412923 573909643 /nfs/dbraw/zinc/90/96/43/573909643.db2.gz AWBVDOAQSAWIPA-RYUDHWBXSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCN(CC[C@H]1CCC[NH2+]1)C(C)C 42171999 573915939 /nfs/dbraw/zinc/91/59/39/573915939.db2.gz XCSPOGTUUGUEBG-GFCCVEGCSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCCCN(C)CC[C@@H]1CCC[NH2+]1 42172025 573916404 /nfs/dbraw/zinc/91/64/04/573916404.db2.gz QOKCPSDBWYGRKB-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CN(CC[C@H]1CCC[NH2+]1)C1CCCC1 42171991 573918186 /nfs/dbraw/zinc/91/81/86/573918186.db2.gz LSZSPJFTLDDHAF-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H](C)CN(C)CC[C@@H]1CCC[NH2+]1 42172030 573917382 /nfs/dbraw/zinc/91/73/82/573917382.db2.gz HOVCSXFATLGAFG-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)N(CC)CC[C@@H]1CCC[NH2+]1 42172023 573917346 /nfs/dbraw/zinc/91/73/46/573917346.db2.gz BNOVHMVWUWEXLQ-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)[C@@H](C)N(C)CC[C@@H]1CCC[NH2+]1 42172092 573917640 /nfs/dbraw/zinc/91/76/40/573917640.db2.gz PBDZVNXFZJWRTM-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)N(CC)CC[C@@H]1CCC[NH2+]1 42172021 573917675 /nfs/dbraw/zinc/91/76/75/573917675.db2.gz BNOVHMVWUWEXLQ-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO N[C@H]1CC[C@H]([NH2+]CCCCC2CC2)C1 716399909 573917725 /nfs/dbraw/zinc/91/77/25/573917725.db2.gz VVODQCUXPFISPX-RYUDHWBXSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@H]1CCCN1CC[C@@H]1CCC[NH2+]1 42172207 573919427 /nfs/dbraw/zinc/91/94/27/573919427.db2.gz GRJJDSOWZIUTNU-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CN(CC[C@@H]1CCC[NH2+]1)C1CCCC1 42171989 573920195 /nfs/dbraw/zinc/92/01/95/573920195.db2.gz LSZSPJFTLDDHAF-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[C@@H](C)C[N@H+](C)CC[C@H](C)N 252982094 573921968 /nfs/dbraw/zinc/92/19/68/573921968.db2.gz UTXUKTSOOFHEHJ-MNOVXSKESA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@@H](C)C[N@@H+](C)CC[C@H](C)N 252982094 573921973 /nfs/dbraw/zinc/92/19/73/573921973.db2.gz UTXUKTSOOFHEHJ-MNOVXSKESA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@@H](C)CN(C)CC[C@H](C)[NH3+] 252982094 573921976 /nfs/dbraw/zinc/92/19/76/573921976.db2.gz UTXUKTSOOFHEHJ-MNOVXSKESA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H]1CCCN1CC[C@@H]1CCC[NH2+]1 42172204 573921722 /nfs/dbraw/zinc/92/17/22/573921722.db2.gz GRJJDSOWZIUTNU-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[C@H](C)C[N@H+](C)CC[C@H](C)N 252982095 573924412 /nfs/dbraw/zinc/92/44/12/573924412.db2.gz UTXUKTSOOFHEHJ-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@H](C)C[N@@H+](C)CC[C@H](C)N 252982095 573924421 /nfs/dbraw/zinc/92/44/21/573924421.db2.gz UTXUKTSOOFHEHJ-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@H](C)CN(C)CC[C@H](C)[NH3+] 252982095 573924424 /nfs/dbraw/zinc/92/44/24/573924424.db2.gz UTXUKTSOOFHEHJ-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[N@H+](C)C[C@@H](N)[C@H](C)CC 39794744 573925365 /nfs/dbraw/zinc/92/53/65/573925365.db2.gz WYKHQXPKPNFSML-GHMZBOCLSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[N@@H+](C)C[C@@H](N)[C@H](C)CC 39794744 573925367 /nfs/dbraw/zinc/92/53/67/573925367.db2.gz WYKHQXPKPNFSML-GHMZBOCLSA-N 1 3 186.343 2.092 10 0 AEAEHO CC(C)[C@H](C)C[N@@H+]1CC[C@@H](N)C[C@@H]1C 81065310 573928200 /nfs/dbraw/zinc/92/82/00/573928200.db2.gz WJKICUVOQCDSGM-GRYCIOLGSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)C[N@H+]1CC[C@@H](N)C[C@@H]1C 81065310 573928205 /nfs/dbraw/zinc/92/82/05/573928205.db2.gz WJKICUVOQCDSGM-GRYCIOLGSA-N 1 3 198.354 2.090 10 0 AEAEHO CN1CCC[C@@H]1C[C@]1(C)CCCC[NH2+]1 258182799 573928245 /nfs/dbraw/zinc/92/82/45/573928245.db2.gz MDJWGLBIKRAVMG-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)[C@H](C)C[N@@H+]1CC[C@H](N)C[C@H]1C 81065312 573929495 /nfs/dbraw/zinc/92/94/95/573929495.db2.gz WJKICUVOQCDSGM-UTUOFQBUSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)C[N@H+]1CC[C@H](N)C[C@H]1C 81065312 573929500 /nfs/dbraw/zinc/92/95/00/573929500.db2.gz WJKICUVOQCDSGM-UTUOFQBUSA-N 1 3 198.354 2.090 10 0 AEAEHO CN1CCC[C@H]1C[C@@]1(C)CCCC[NH2+]1 258182802 573930917 /nfs/dbraw/zinc/93/09/17/573930917.db2.gz MDJWGLBIKRAVMG-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)CCCC[N@@H+]1CC[C@@H](CN)C1 147576540 573930740 /nfs/dbraw/zinc/93/07/40/573930740.db2.gz JTYGIHYYKQFJSU-LBPRGKRZSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)CCCC[N@H+]1CC[C@@H](CN)C1 147576540 573930746 /nfs/dbraw/zinc/93/07/46/573930746.db2.gz JTYGIHYYKQFJSU-LBPRGKRZSA-N 1 3 198.354 2.093 10 0 AEAEHO CN1CCC[C@@H]1C[C@@]1(C)CCCC[NH2+]1 258182807 573931192 /nfs/dbraw/zinc/93/11/92/573931192.db2.gz MDJWGLBIKRAVMG-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)(CCN)[NH2+]C1CCCCCC1 259013476 573931571 /nfs/dbraw/zinc/93/15/71/573931571.db2.gz RMPLWOHMBRDQBF-UHFFFAOYSA-N 1 3 198.354 2.426 10 0 AEAEHO CN[C@@H](CC(C)(C)[NH3+])c1cccs1 259243725 573931686 /nfs/dbraw/zinc/93/16/86/573931686.db2.gz GXBCYIUBQXWFPB-QMMMGPOBSA-N 1 3 198.335 2.136 10 0 AEAEHO CN[C@H](CC(C)(C)[NH3+])c1cccs1 259243723 573931766 /nfs/dbraw/zinc/93/17/66/573931766.db2.gz GXBCYIUBQXWFPB-MRVPVSSYSA-N 1 3 198.335 2.136 10 0 AEAEHO CCCCN(CC)CC[C@H]([NH3+])CC 127764366 573936349 /nfs/dbraw/zinc/93/63/49/573936349.db2.gz RDJZFTVHNMDVTO-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[C@@H](C)[NH2+][C@@H]1CC[C@H](N(C)C)C1 131768877 573934794 /nfs/dbraw/zinc/93/47/94/573934794.db2.gz BXMSAXPYDSYKAL-UTUOFQBUSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H](N)CC[N@H+](C)C1CCCCC1 127765692 573936007 /nfs/dbraw/zinc/93/60/07/573936007.db2.gz YEYMUGIDUJGNSV-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@@H](N)CC[N@@H+](C)C1CCCCC1 127765692 573936011 /nfs/dbraw/zinc/93/60/11/573936011.db2.gz YEYMUGIDUJGNSV-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](N)CC[NH+]1[C@@H](C)CCC[C@@H]1C 127771198 573936218 /nfs/dbraw/zinc/93/62/18/573936218.db2.gz NGPCBGWVFUXGML-SRVKXCTJSA-N 1 3 198.354 2.377 10 0 AEAEHO CCCC[N@H+](CC)CC[C@H](N)CC 127764366 573936342 /nfs/dbraw/zinc/93/63/42/573936342.db2.gz RDJZFTVHNMDVTO-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CCC[NH+](CCC)CC[C@@H](N)CC 127762197 573936313 /nfs/dbraw/zinc/93/63/13/573936313.db2.gz SIVFOVQYKMUXPJ-NSHDSACASA-N 1 3 186.343 2.236 10 0 AEAEHO CCCC[N@@H+](CC)CC[C@H](N)CC 127764366 573936345 /nfs/dbraw/zinc/93/63/45/573936345.db2.gz RDJZFTVHNMDVTO-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CC[C@H](N)CC[N@H+]1C[C@@H](C)C[C@@H](C)C1 127767960 573939260 /nfs/dbraw/zinc/93/92/60/573939260.db2.gz IUSQACGNDRGTGH-TUAOUCFPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCCN(C)CCC[NH2+]CCC 42409362 573939147 /nfs/dbraw/zinc/93/91/47/573939147.db2.gz OCXJOWLVXKBAPJ-UHFFFAOYSA-N 1 3 186.343 2.108 10 0 AEAEHO CC[C@H](N)CC[N@@H+]1C[C@@H](C)C[C@@H](C)C1 127767960 573939254 /nfs/dbraw/zinc/93/92/54/573939254.db2.gz IUSQACGNDRGTGH-TUAOUCFPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[NH2+]CCCN1CCC[C@@H]1CC 42409123 573939373 /nfs/dbraw/zinc/93/93/73/573939373.db2.gz DKRHPIQVTPXJRA-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCNCCC[N@@H+]1CCC[C@@H]1CC 42409123 573939379 /nfs/dbraw/zinc/93/93/79/573939379.db2.gz DKRHPIQVTPXJRA-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCNCCC[N@H+]1CCC[C@@H]1CC 42409123 573939383 /nfs/dbraw/zinc/93/93/83/573939383.db2.gz DKRHPIQVTPXJRA-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO C[C@H]1CCN(CCC[NH2+]C(C)(C)C)C1 42372064 573939452 /nfs/dbraw/zinc/93/94/52/573939452.db2.gz UTXPRLQIOYCJTE-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)CNCC1([NH2+]C)CCCC1 308467710 573939610 /nfs/dbraw/zinc/93/96/10/573939610.db2.gz ACODNVQRMBTMNI-NSHDSACASA-N 1 3 198.354 2.154 10 0 AEAEHO CCCCN(CC)CCC[NH2+]CC 42409395 573941962 /nfs/dbraw/zinc/94/19/62/573941962.db2.gz QUMIXZFIHRUMHU-UHFFFAOYSA-N 1 3 186.343 2.108 10 0 AEAEHO CCCC[N@H+](CC)CCCNCC 42409395 573941968 /nfs/dbraw/zinc/94/19/68/573941968.db2.gz QUMIXZFIHRUMHU-UHFFFAOYSA-N 1 3 186.343 2.108 10 0 AEAEHO CCCC[N@@H+](CC)CCCNCC 42409395 573941972 /nfs/dbraw/zinc/94/19/72/573941972.db2.gz QUMIXZFIHRUMHU-UHFFFAOYSA-N 1 3 186.343 2.108 10 0 AEAEHO CC[C@H](C)C[N@H+](C)CC[C@H](N)CC 127782882 573942820 /nfs/dbraw/zinc/94/28/20/573942820.db2.gz VRXGTBBWZQJQQP-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](C)C[N@@H+](C)CC[C@H](N)CC 127782882 573942825 /nfs/dbraw/zinc/94/28/25/573942825.db2.gz VRXGTBBWZQJQQP-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@H](C)CN(C)CC[C@H]([NH3+])CC 127782882 573942829 /nfs/dbraw/zinc/94/28/29/573942829.db2.gz VRXGTBBWZQJQQP-WDEREUQCSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H](N)CC[N@H+](CC)CC(C)C 127781402 573944119 /nfs/dbraw/zinc/94/41/19/573944119.db2.gz LMJTURKHKHWOLD-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO C[C@@H]1CCN(CCC[NH2+]C(C)(C)C)C1 42372063 573943986 /nfs/dbraw/zinc/94/39/86/573943986.db2.gz UTXPRLQIOYCJTE-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)(N)CC[NH2+]C[C@H]1CC=CCC1 308470026 573944007 /nfs/dbraw/zinc/94/40/07/573944007.db2.gz BHHJYHMMJJKPLV-NSHDSACASA-N 1 3 196.338 2.060 10 0 AEAEHO CCC[N@H+](CC[C@@H](N)CC)C(C)C 127779048 573944056 /nfs/dbraw/zinc/94/40/56/573944056.db2.gz ICAZSCDWPCTONQ-NSHDSACASA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[N@@H+](CC[C@@H](N)CC)C(C)C 127779048 573944060 /nfs/dbraw/zinc/94/40/60/573944060.db2.gz ICAZSCDWPCTONQ-NSHDSACASA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@@H](N)CC[N@@H+](CC)CC(C)C 127781402 573944122 /nfs/dbraw/zinc/94/41/22/573944122.db2.gz LMJTURKHKHWOLD-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO C[N@H+](CC(C)(C)C)[C@@H]1CCC[C@@H]1CN 45068280 573944254 /nfs/dbraw/zinc/94/42/54/573944254.db2.gz QNZYYVIRHRLLFG-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO C[N@@H+](CC(C)(C)C)[C@@H]1CCC[C@@H]1CN 45068280 573944258 /nfs/dbraw/zinc/94/42/58/573944258.db2.gz QNZYYVIRHRLLFG-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](CC(N)=[NH2+])N(C)CC(C)(C)C 45074247 573944350 /nfs/dbraw/zinc/94/43/50/573944350.db2.gz ZCFWFNQWCPHBFG-VIFPVBQESA-N 1 3 199.342 2.069 10 0 AEAEHO CCC[NH2+]CCNC1(C)CCCCC1 45047253 573945261 /nfs/dbraw/zinc/94/52/61/573945261.db2.gz VVDJNOLFHQQHBT-UHFFFAOYSA-N 1 3 198.354 2.298 10 0 AEAEHO CC(C)(C)[C@@H](CN)C[NH2+]C1CCCC1 258186847 573948299 /nfs/dbraw/zinc/94/82/99/573948299.db2.gz OTCXDAUXEXBNFR-JTQLQIEISA-N 1 3 198.354 2.140 10 0 AEAEHO CN(CC[C@H]1CCC[NH2+]1)CC(C)(C)C 45089663 573950206 /nfs/dbraw/zinc/95/02/06/573950206.db2.gz AZDHWZNAPYURBN-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@@H+]1C[C@H](CN)CC[C@@H]1C 42427285 573952892 /nfs/dbraw/zinc/95/28/92/573952892.db2.gz MFXZESSHPBONFC-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[N@@H+](CC1CCCC1)C[C@H](C)CN 42443148 573952738 /nfs/dbraw/zinc/95/27/38/573952738.db2.gz BJSILSAVYLTKML-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[N@H+](CC1CCCC1)C[C@H](C)CN 42443148 573952757 /nfs/dbraw/zinc/95/27/57/573952757.db2.gz BJSILSAVYLTKML-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CCCCC[N@H+]1C[C@H](CN)CC[C@@H]1C 42427285 573952900 /nfs/dbraw/zinc/95/29/00/573952900.db2.gz MFXZESSHPBONFC-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[C@@H](C)[NH2+]CC[C@@H](N)CC 127873453 573956172 /nfs/dbraw/zinc/95/61/72/573956172.db2.gz QVUZXPGYNZUTDK-MNOVXSKESA-N 1 3 186.343 2.282 10 0 AEAEHO CC[C@H](N)CC[N@@H+]1CCC[C@H](C)[C@@H]1C 127872360 573956198 /nfs/dbraw/zinc/95/61/98/573956198.db2.gz JETLBIHBVQESBX-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](N)CC[N@H+]1CCC[C@H](C)[C@@H]1C 127872360 573956202 /nfs/dbraw/zinc/95/62/02/573956202.db2.gz JETLBIHBVQESBX-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[NH2+]CC[C@@H](C)N(C)C1CCC1 127885418 573956256 /nfs/dbraw/zinc/95/62/56/573956256.db2.gz YCORCRKSCZHPDU-LLVKDONJSA-N 1 3 198.354 2.247 10 0 AEAEHO CCCC[C@H](C)[NH2+]CC[C@H](N)CC 127873210 573956676 /nfs/dbraw/zinc/95/66/76/573956676.db2.gz QVUZXPGYNZUTDK-WDEREUQCSA-N 1 3 186.343 2.282 10 0 AEAEHO CCCCCCN(CC)CCC(N)=[NH2+] 42452893 573956808 /nfs/dbraw/zinc/95/68/08/573956808.db2.gz KNQCLNULBUQTQP-UHFFFAOYSA-N 1 3 199.342 2.215 10 0 AEAEHO CCCC[C@H]([NH3+])CN[C@H]1CCC1(C)C 308471744 573957140 /nfs/dbraw/zinc/95/71/40/573957140.db2.gz BXDYXQCVVAAVMH-QWRGUYRKSA-N 1 3 198.354 2.282 10 0 AEAEHO CC(C)[NH2+]CC[C@H](C)N(C)C1CCC1 127885634 573958036 /nfs/dbraw/zinc/95/80/36/573958036.db2.gz YCORCRKSCZHPDU-NSHDSACASA-N 1 3 198.354 2.247 10 0 AEAEHO C[C@H](CCN)[N@H+](C)CC1CCCCC1 42491917 573958429 /nfs/dbraw/zinc/95/84/29/573958429.db2.gz LZJYFVPHCOYDQN-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@H](CCN)[N@@H+](C)CC1CCCCC1 42491917 573958434 /nfs/dbraw/zinc/95/84/34/573958434.db2.gz LZJYFVPHCOYDQN-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[C@H](C)[NH2+]CC[C@@H](N)CC 127873675 573960636 /nfs/dbraw/zinc/96/06/36/573960636.db2.gz QVUZXPGYNZUTDK-QWRGUYRKSA-N 1 3 186.343 2.282 10 0 AEAEHO C[C@@H](CCNC1CC1)[N@H+](C)C1CCC1 127877290 573959684 /nfs/dbraw/zinc/95/96/84/573959684.db2.gz LIHWTMOVVUKOJL-JTQLQIEISA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@@H](CCNC1CC1)[N@@H+](C)C1CCC1 127877290 573959693 /nfs/dbraw/zinc/95/96/93/573959693.db2.gz LIHWTMOVVUKOJL-JTQLQIEISA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@@H](CC[NH2+]C1CC1)N(C)C1CCC1 127877290 573959704 /nfs/dbraw/zinc/95/97/04/573959704.db2.gz LIHWTMOVVUKOJL-JTQLQIEISA-N 1 3 196.338 2.001 10 0 AEAEHO CC[C@H](N)CC[N@@H+]1CC[C@H](C)C[C@@H]1C 127874805 573959733 /nfs/dbraw/zinc/95/97/33/573959733.db2.gz LQSZYLAPEYVGPI-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](N)CC[N@H+]1CC[C@H](C)C[C@@H]1C 127874805 573959735 /nfs/dbraw/zinc/95/97/35/573959735.db2.gz LQSZYLAPEYVGPI-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](CCNC1CC1)[N@H+](C)C1CCC1 127877519 573960442 /nfs/dbraw/zinc/96/04/42/573960442.db2.gz LIHWTMOVVUKOJL-SNVBAGLBSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@H](CCNC1CC1)[N@@H+](C)C1CCC1 127877519 573960449 /nfs/dbraw/zinc/96/04/49/573960449.db2.gz LIHWTMOVVUKOJL-SNVBAGLBSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@H](CC[NH2+]C1CC1)N(C)C1CCC1 127877519 573960452 /nfs/dbraw/zinc/96/04/52/573960452.db2.gz LIHWTMOVVUKOJL-SNVBAGLBSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@H](N)CC[N@H+](C)CC1CCCCC1 42492744 573960453 /nfs/dbraw/zinc/96/04/53/573960453.db2.gz YDOHJSUJEAIVLW-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@H](N)CC[N@@H+](C)CC1CCCCC1 42492744 573960457 /nfs/dbraw/zinc/96/04/57/573960457.db2.gz YDOHJSUJEAIVLW-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@H]([NH3+])CCN(C)CC1CCCCC1 42492744 573960465 /nfs/dbraw/zinc/96/04/65/573960465.db2.gz YDOHJSUJEAIVLW-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H]([NH3+])CCN(C)CC(C)(C)C 127860676 573960576 /nfs/dbraw/zinc/96/05/76/573960576.db2.gz AEKUTGLDVUJHGF-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H](N)CC[N@H+](C)CC(C)(C)C 127860676 573960581 /nfs/dbraw/zinc/96/05/81/573960581.db2.gz AEKUTGLDVUJHGF-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H](N)CC[N@@H+](C)CC(C)(C)C 127860676 573960584 /nfs/dbraw/zinc/96/05/84/573960584.db2.gz AEKUTGLDVUJHGF-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCCCCN(C)C[C@@H](C)C(N)=[NH2+] 42459768 573961625 /nfs/dbraw/zinc/96/16/25/573961625.db2.gz SNBNCBKDFJJBNX-SNVBAGLBSA-N 1 3 199.342 2.071 10 0 AEAEHO CC[C@H](N)CC[N@@H+]1CCC[C@H](C)CC1 127895124 573965435 /nfs/dbraw/zinc/96/54/35/573965435.db2.gz KNHWTTNNXHFLLL-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](N)CC[N@H+]1CCC[C@H](C)CC1 127895124 573965441 /nfs/dbraw/zinc/96/54/41/573965441.db2.gz KNHWTTNNXHFLLL-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](N)CC[NH2+]CC1(C)CCCC1 127899264 573964164 /nfs/dbraw/zinc/96/41/64/573964164.db2.gz XEEVKLUVVSUNJE-LLVKDONJSA-N 1 3 198.354 2.284 10 0 AEAEHO CC1CCC([N@@H+](C)CC[C@@H](C)N)CC1 42487636 573964200 /nfs/dbraw/zinc/96/42/00/573964200.db2.gz UVWJJDBGICUKHC-MOENNCHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CC1CCC([N@H+](C)CC[C@@H](C)N)CC1 42487636 573964206 /nfs/dbraw/zinc/96/42/06/573964206.db2.gz UVWJJDBGICUKHC-MOENNCHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](N)CC[N@@H+]1CCC[C@H](C)CC1 127895343 573964256 /nfs/dbraw/zinc/96/42/56/573964256.db2.gz KNHWTTNNXHFLLL-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](N)CC[N@H+]1CCC[C@H](C)CC1 127895343 573964260 /nfs/dbraw/zinc/96/42/60/573964260.db2.gz KNHWTTNNXHFLLL-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)[N@@H+](C)CC[C@H](N)CC 127790572 573964595 /nfs/dbraw/zinc/96/45/95/573964595.db2.gz MLPXHPLFJUXEPF-SNVBAGLBSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC(CC)[N@H+](C)CC[C@H](N)CC 127790572 573964598 /nfs/dbraw/zinc/96/45/98/573964598.db2.gz MLPXHPLFJUXEPF-SNVBAGLBSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@H]1CCC[N@@H+](CC[C@H](N)CC)C1 127792196 573965483 /nfs/dbraw/zinc/96/54/83/573965483.db2.gz MSVWTTBYWUMOGZ-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H]1CCC[N@H+](CC[C@H](N)CC)C1 127792196 573965486 /nfs/dbraw/zinc/96/54/86/573965486.db2.gz MSVWTTBYWUMOGZ-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](C)[N@H+](C)CC[C@H](N)CC 127791287 573964998 /nfs/dbraw/zinc/96/49/98/573964998.db2.gz NJFUJKVCOGMEDV-WDEREUQCSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@H](C)[N@@H+](C)CC[C@H](N)CC 127791287 573965002 /nfs/dbraw/zinc/96/50/02/573965002.db2.gz NJFUJKVCOGMEDV-WDEREUQCSA-N 1 3 186.343 2.234 10 0 AEAEHO CCC[C@H](C)N(C)CC[C@H]([NH3+])CC 127791287 573965009 /nfs/dbraw/zinc/96/50/09/573965009.db2.gz NJFUJKVCOGMEDV-WDEREUQCSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@H](N)CC[N@H+](C)CC1CCCC1 127895624 573966347 /nfs/dbraw/zinc/96/63/47/573966347.db2.gz LNCWUCIUYOABJE-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](N)CC[N@@H+](C)CC1CCCC1 127895624 573966353 /nfs/dbraw/zinc/96/63/53/573966353.db2.gz LNCWUCIUYOABJE-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H]([NH3+])CCN(C)CC1CCCC1 127895624 573966358 /nfs/dbraw/zinc/96/63/58/573966358.db2.gz LNCWUCIUYOABJE-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](N)CC[N@H+](C)[C@@H](C)C(C)C 127790330 573966693 /nfs/dbraw/zinc/96/66/93/573966693.db2.gz CXLYLWGXAMWIRZ-WDEREUQCSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@@H](N)CC[N@@H+](C)[C@@H](C)C(C)C 127790330 573966697 /nfs/dbraw/zinc/96/66/97/573966697.db2.gz CXLYLWGXAMWIRZ-WDEREUQCSA-N 1 3 186.343 2.090 10 0 AEAEHO CC1CCC([N@@H+](C)CC[C@H](C)N)CC1 42487637 573966729 /nfs/dbraw/zinc/96/67/29/573966729.db2.gz UVWJJDBGICUKHC-CXQJBGSLSA-N 1 3 198.354 2.234 10 0 AEAEHO CC1CCC([N@H+](C)CC[C@H](C)N)CC1 42487637 573966732 /nfs/dbraw/zinc/96/67/32/573966732.db2.gz UVWJJDBGICUKHC-CXQJBGSLSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H]1CC[N@@H+]([C@@H](CC)CNC)C1 127790921 573966868 /nfs/dbraw/zinc/96/68/68/573966868.db2.gz SPKQMGQLYZNXCX-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H]1CC[N@H+]([C@@H](CC)CNC)C1 127790921 573966872 /nfs/dbraw/zinc/96/68/72/573966872.db2.gz SPKQMGQLYZNXCX-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](N)CC[NH2+]C1CCCCCC1 127799619 573968589 /nfs/dbraw/zinc/96/85/89/573968589.db2.gz NYRNGOUFNOCVSY-NSHDSACASA-N 1 3 198.354 2.426 10 0 AEAEHO CCC1CCN(CC[C@@H]([NH3+])CC)CC1 127816599 573973539 /nfs/dbraw/zinc/97/35/39/573973539.db2.gz XXHRDRXFEKSOBO-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC1CCN(CC[C@H]([NH3+])CC)CC1 127816407 573974464 /nfs/dbraw/zinc/97/44/64/573974464.db2.gz XXHRDRXFEKSOBO-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H]([NH3+])CCN(C)CCC(C)C 127819009 573974576 /nfs/dbraw/zinc/97/45/76/573974576.db2.gz HXZHFBZCNVFZLI-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CC(C)C[C@@H](C)[N@@H+](C)[C@@H](C)CCN 42562828 573977406 /nfs/dbraw/zinc/97/74/06/573977406.db2.gz SFVJDJLIZHMQRC-WDEREUQCSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@@H](C)[N@@H+]1CC[C@@H](NC)CC1(C)C 259254973 573977395 /nfs/dbraw/zinc/97/73/95/573977395.db2.gz FHPWAXJADZOUJJ-GHMZBOCLSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H](C)[N@H+]1CC[C@@H](NC)CC1(C)C 259254973 573977397 /nfs/dbraw/zinc/97/73/97/573977397.db2.gz FHPWAXJADZOUJJ-GHMZBOCLSA-N 1 3 198.354 2.247 10 0 AEAEHO CC(C)C[C@@H](C)[N@H+](C)[C@@H](C)CCN 42562828 573977401 /nfs/dbraw/zinc/97/74/01/573977401.db2.gz SFVJDJLIZHMQRC-WDEREUQCSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@@H](CCN)[N@H+](CC(C)C)C1CC1 42554567 573979111 /nfs/dbraw/zinc/97/91/11/573979111.db2.gz KDTVDLSXXAVLLK-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](CCN)[N@@H+](CC(C)C)C1CC1 42554567 573979113 /nfs/dbraw/zinc/97/91/13/573979113.db2.gz KDTVDLSXXAVLLK-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@@](C)(C[NH3+])CN(C)C1CCC1 127829827 573980477 /nfs/dbraw/zinc/98/04/77/573980477.db2.gz ZZJKEFZCIGVRKW-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCN(CC[C@@H]([NH3+])CC)C1CC1 127826862 573980840 /nfs/dbraw/zinc/98/08/40/573980840.db2.gz WTLBTHLUXSGIHS-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CC(C)C[N@H+](CC[C@H](C)N)C(C)C 42581489 573982288 /nfs/dbraw/zinc/98/22/88/573982288.db2.gz KGXZCRSLTVIAGR-NSHDSACASA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)C[N@@H+](CC[C@H](C)N)C(C)C 42581489 573982293 /nfs/dbraw/zinc/98/22/93/573982293.db2.gz KGXZCRSLTVIAGR-NSHDSACASA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@@H](CCN)[N@H+](CC1CC1)C(C)C 42563231 573982456 /nfs/dbraw/zinc/98/24/56/573982456.db2.gz DYFUXSGMFKOQKY-LBPRGKRZSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](CCN)[N@@H+](CC1CC1)C(C)C 42563231 573982458 /nfs/dbraw/zinc/98/24/58/573982458.db2.gz DYFUXSGMFKOQKY-LBPRGKRZSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@](C)(C[NH3+])CN(C)C1CCC1 127830023 573982659 /nfs/dbraw/zinc/98/26/59/573982659.db2.gz ZZJKEFZCIGVRKW-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)C[C@H](C)[N@H+](C)CC[C@@H](C)N 42580829 573985813 /nfs/dbraw/zinc/98/58/13/573985813.db2.gz IJSVWIOQQPDXHD-MNOVXSKESA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)C[C@H](C)[N@@H+](C)CC[C@@H](C)N 42580829 573985817 /nfs/dbraw/zinc/98/58/17/573985817.db2.gz IJSVWIOQQPDXHD-MNOVXSKESA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)C[C@H](C)N(C)CC[C@@H](C)[NH3+] 42580829 573985822 /nfs/dbraw/zinc/98/58/22/573985822.db2.gz IJSVWIOQQPDXHD-MNOVXSKESA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)[C@H](C)[NH2+][C@H]1CC[C@H](N(C)C)C1 131796160 573986820 /nfs/dbraw/zinc/98/68/20/573986820.db2.gz LBQXABAZOBDIDC-SRVKXCTJSA-N 1 3 198.354 2.103 10 0 AEAEHO CC(C)CC[N@@H+]1CCCNCC[C@@H]1C 259260494 573988094 /nfs/dbraw/zinc/98/80/94/573988094.db2.gz FPVKBZMYYAHHIH-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)CC[N@H+]1CCCNCC[C@@H]1C 259260494 573988098 /nfs/dbraw/zinc/98/80/98/573988098.db2.gz FPVKBZMYYAHHIH-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H]1CCC[C@@H]([NH2+]C2CC(N)C2)C1 87652038 573993274 /nfs/dbraw/zinc/99/32/74/573993274.db2.gz OTTGANFGLPTERS-UZEXVOJHSA-N 1 3 196.338 2.035 10 0 AEAEHO CC[C@H](N)CC[N@@H+]1CCC[C@@H]1C(C)C 127919077 573994070 /nfs/dbraw/zinc/99/40/70/573994070.db2.gz WCBSTRHWBHNOCJ-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](N)CC[N@H+]1CCC[C@@H]1C(C)C 127919077 573994072 /nfs/dbraw/zinc/99/40/72/573994072.db2.gz WCBSTRHWBHNOCJ-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC1CCC([NH2+]C2CC(N)C2)CC1 87651754 573994136 /nfs/dbraw/zinc/99/41/36/573994136.db2.gz LEHITEISEKSQAR-UHFFFAOYSA-N 1 3 196.338 2.035 10 0 AEAEHO CC[C@H]1CCC[C@H]([NH2+]C2CC(N)C2)C1 87652036 573996763 /nfs/dbraw/zinc/99/67/63/573996763.db2.gz OTTGANFGLPTERS-VOBJUBJWSA-N 1 3 196.338 2.035 10 0 AEAEHO CC[C@H](N)CC[NH2+]C1(C)CCCC1 127913516 573996151 /nfs/dbraw/zinc/99/61/51/573996151.db2.gz YKGYJNHGUGZUSE-JTQLQIEISA-N 1 3 184.327 2.036 10 0 AEAEHO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(N)C1 87651472 573996270 /nfs/dbraw/zinc/99/62/70/573996270.db2.gz IJJDLFIPYXJTSX-YYJSSNLHSA-N 1 3 196.338 2.035 10 0 AEAEHO CC[C@H]1CCCC[C@@H]1[NH2+]C1CC(N)C1 87651473 573996358 /nfs/dbraw/zinc/99/63/58/573996358.db2.gz IJJDLFIPYXJTSX-XKGSQUFQSA-N 1 3 196.338 2.035 10 0 AEAEHO CC[C@H](N)CC[N@@H+]1CCCCC[C@@H]1C 127904685 573996430 /nfs/dbraw/zinc/99/64/30/573996430.db2.gz UVJCOBHTYGVBGR-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H](N)CC[N@H+]1CCCCC[C@@H]1C 127904685 573996433 /nfs/dbraw/zinc/99/64/33/573996433.db2.gz UVJCOBHTYGVBGR-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CC1(C)CCCC[C@H]1[NH2+]C1CC(N)C1 87652158 573996487 /nfs/dbraw/zinc/99/64/87/573996487.db2.gz PVOBPJOAEKKEQL-VQXHTEKXSA-N 1 3 196.338 2.035 10 0 AEAEHO CCNC[C@@H](C)[C@H](C)[N@H+](C)C1CCC1 127912161 573996495 /nfs/dbraw/zinc/99/64/95/573996495.db2.gz RBGBNGCAWKEDEO-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC[C@@H](C)[C@H](C)[N@@H+](C)C1CCC1 127912161 573996500 /nfs/dbraw/zinc/99/65/00/573996500.db2.gz RBGBNGCAWKEDEO-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+]C[C@@H](C)[C@H](C)N(C)C1CCC1 127912161 573996503 /nfs/dbraw/zinc/99/65/03/573996503.db2.gz RBGBNGCAWKEDEO-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH2+]CC[C@H](C)N(C)C1CCC1 127921354 573996586 /nfs/dbraw/zinc/99/65/86/573996586.db2.gz XGOMRRMHEMKFAQ-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+]CC[C@@H](C)N(C)C1CCC1 127921140 573996719 /nfs/dbraw/zinc/99/67/19/573996719.db2.gz XGOMRRMHEMKFAQ-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CC1(C)CCC([NH2+]C2CC(N)C2)CC1 87651995 573996973 /nfs/dbraw/zinc/99/69/73/573996973.db2.gz JFEIKRZWGFODPB-UHFFFAOYSA-N 1 3 196.338 2.035 10 0 AEAEHO CC[C@H]1CC[C@H](C)[N@H+](CC[C@@H](C)N)C1 715112850 573997163 /nfs/dbraw/zinc/99/71/63/573997163.db2.gz MDQPRIWLKWFYEI-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H]1CC[C@H](C)[N@@H+](CC[C@@H](C)N)C1 715112850 573997167 /nfs/dbraw/zinc/99/71/67/573997167.db2.gz MDQPRIWLKWFYEI-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@@H](CCNC)[NH+]1CCCCC1 82291908 574003278 /nfs/dbraw/zinc/00/32/78/574003278.db2.gz DZPJPVZTIVGZIA-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC(CC)C[C@@H]([NH3+])CCN(C)C 128240371 574040309 /nfs/dbraw/zinc/04/03/09/574040309.db2.gz SDOLHPAEPKGOTE-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CCC(CC)C[C@H]([NH3+])CCN(C)C 128240093 574040861 /nfs/dbraw/zinc/04/08/61/574040861.db2.gz SDOLHPAEPKGOTE-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCCN1CC[C@H]([NH2+]C)C(C)(C)C1 259295209 574041015 /nfs/dbraw/zinc/04/10/15/574041015.db2.gz PHGYWVNACRZXHA-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@@H+]1CC[C@H](NC)C(C)(C)C1 259295209 574041017 /nfs/dbraw/zinc/04/10/17/574041017.db2.gz PHGYWVNACRZXHA-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@H+]1CC[C@H](NC)C(C)(C)C1 259295209 574041020 /nfs/dbraw/zinc/04/10/20/574041020.db2.gz PHGYWVNACRZXHA-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCN1CC[C@@H]([NH2+]C)C(C)(C)C1 259295205 574042699 /nfs/dbraw/zinc/04/26/99/574042699.db2.gz PHGYWVNACRZXHA-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@@H+]1CC[C@@H](NC)C(C)(C)C1 259295205 574042701 /nfs/dbraw/zinc/04/27/01/574042701.db2.gz PHGYWVNACRZXHA-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@H+]1CC[C@@H](NC)C(C)(C)C1 259295205 574042703 /nfs/dbraw/zinc/04/27/03/574042703.db2.gz PHGYWVNACRZXHA-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)C[C@@H](N)C[NH+]1CCC(C)CC1 20071331 486713516 /nfs/dbraw/zinc/71/35/16/486713516.db2.gz ZUEGSXZCMUZBJS-GFCCVEGCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](NCCC[NH3+])c1cccs1 37713490 486721366 /nfs/dbraw/zinc/72/13/66/486721366.db2.gz RCDPUDWWVYTGEC-SECBINFHSA-N 1 3 198.335 2.138 10 0 AEAEHO CC[C@H](NCCC[NH3+])c1cccs1 37713489 486721436 /nfs/dbraw/zinc/72/14/36/486721436.db2.gz RCDPUDWWVYTGEC-VIFPVBQESA-N 1 3 198.335 2.138 10 0 AEAEHO CC(C)C[C@H](N)C[NH+]1CCC(C)CC1 39140973 486722806 /nfs/dbraw/zinc/72/28/06/486722806.db2.gz ZUEGSXZCMUZBJS-LBPRGKRZSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 62072293 486765269 /nfs/dbraw/zinc/76/52/69/486765269.db2.gz DOFLHHCNOZVWII-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 62072286 486765354 /nfs/dbraw/zinc/76/53/54/486765354.db2.gz DOFLHHCNOZVWII-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 62072292 486765816 /nfs/dbraw/zinc/76/58/16/486765816.db2.gz DOFLHHCNOZVWII-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 62072289 486765850 /nfs/dbraw/zinc/76/58/50/486765850.db2.gz DOFLHHCNOZVWII-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)C[C@@H]([NH3+])CN1CCCC1(C)C 63073480 486768490 /nfs/dbraw/zinc/76/84/90/486768490.db2.gz POYFJBZTQXDCJA-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)C[C@H]([NH3+])CN1CCCC1(C)C 63073479 486768413 /nfs/dbraw/zinc/76/84/13/486768413.db2.gz POYFJBZTQXDCJA-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)N)C1 69724757 486775697 /nfs/dbraw/zinc/77/56/97/486775697.db2.gz CXBYJIRCFZKLGA-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)N)C1 69724757 486775701 /nfs/dbraw/zinc/77/57/01/486775701.db2.gz CXBYJIRCFZKLGA-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@H](C)CN1CCC([NH+](C)C)CC1 674873214 486820094 /nfs/dbraw/zinc/82/00/94/486820094.db2.gz NXWRVPCDDZSRQK-NSHDSACASA-N 1 3 198.354 2.059 10 0 AEAEHO CC[C@@H](C)CN1CCC([NH+](C)C)CC1 674873212 486820499 /nfs/dbraw/zinc/82/04/99/486820499.db2.gz NXWRVPCDDZSRQK-LLVKDONJSA-N 1 3 198.354 2.059 10 0 AEAEHO CC[N@H+](CC(C)C)[C@H]1CCCNCC1 82666648 486822814 /nfs/dbraw/zinc/82/28/14/486822814.db2.gz INTGOWBNZDQQGZ-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[N@@H+](CC(C)C)[C@H]1CCCNCC1 82666648 486822819 /nfs/dbraw/zinc/82/28/19/486822819.db2.gz INTGOWBNZDQQGZ-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@H+](C)[C@@H]1CCCNCC1 82666665 486822843 /nfs/dbraw/zinc/82/28/43/486822843.db2.gz CUCVWVGKVJGRTH-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCC[N@@H+](C)[C@@H]1CCCNCC1 82666665 486822846 /nfs/dbraw/zinc/82/28/46/486822846.db2.gz CUCVWVGKVJGRTH-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[C@H](C)C[N@H+](C)[C@@H]1CCCNCC1 82666668 486823069 /nfs/dbraw/zinc/82/30/69/486823069.db2.gz FJLOHYCHYZCQRZ-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)C[N@@H+](C)[C@@H]1CCCNCC1 82666668 486823071 /nfs/dbraw/zinc/82/30/71/486823071.db2.gz FJLOHYCHYZCQRZ-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)CC[N@H+](C)[C@@H]1CCCNCC1 82666862 486823144 /nfs/dbraw/zinc/82/31/44/486823144.db2.gz ZSKDZNXFEIOCSV-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)CC[N@@H+](C)[C@@H]1CCCNCC1 82666862 486823146 /nfs/dbraw/zinc/82/31/46/486823146.db2.gz ZSKDZNXFEIOCSV-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[N@H+](CC(C)C)[C@@H]1CCCNCC1 82666647 486823248 /nfs/dbraw/zinc/82/32/48/486823248.db2.gz INTGOWBNZDQQGZ-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[N@@H+](CC(C)C)[C@@H]1CCCNCC1 82666647 486823252 /nfs/dbraw/zinc/82/32/52/486823252.db2.gz INTGOWBNZDQQGZ-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@H+](C)[C@H]1CCCNCC1 82666666 486823446 /nfs/dbraw/zinc/82/34/46/486823446.db2.gz CUCVWVGKVJGRTH-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCC[N@@H+](C)[C@H]1CCCNCC1 82666666 486823450 /nfs/dbraw/zinc/82/34/50/486823450.db2.gz CUCVWVGKVJGRTH-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCC[N@H+](CC)[C@H]1CCCNCC1 82666638 486823482 /nfs/dbraw/zinc/82/34/82/486823482.db2.gz BRGZAIMJQCMGPL-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCC[N@@H+](CC)[C@H]1CCCNCC1 82666638 486823487 /nfs/dbraw/zinc/82/34/87/486823487.db2.gz BRGZAIMJQCMGPL-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CC(C)CC[N@H+](C)[C@H]1CCCNCC1 82666863 486823552 /nfs/dbraw/zinc/82/35/52/486823552.db2.gz ZSKDZNXFEIOCSV-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)CC[N@@H+](C)[C@H]1CCCNCC1 82666863 486823555 /nfs/dbraw/zinc/82/35/55/486823555.db2.gz ZSKDZNXFEIOCSV-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](C)C[N@H+](C)[C@@H]1CCCNCC1 82666667 486823673 /nfs/dbraw/zinc/82/36/73/486823673.db2.gz FJLOHYCHYZCQRZ-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](C)C[N@@H+](C)[C@@H]1CCCNCC1 82666667 486823675 /nfs/dbraw/zinc/82/36/75/486823675.db2.gz FJLOHYCHYZCQRZ-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC[N@H+](CC)[C@@H]1CCCNCC1 82666637 486823760 /nfs/dbraw/zinc/82/37/60/486823760.db2.gz BRGZAIMJQCMGPL-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCC[N@@H+](CC)[C@@H]1CCCNCC1 82666637 486823762 /nfs/dbraw/zinc/82/37/62/486823762.db2.gz BRGZAIMJQCMGPL-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[C@@H](C)C[C@H](C)[NH2+]C1CCNCC1 83863857 486844440 /nfs/dbraw/zinc/84/44/40/486844440.db2.gz HNLBLKNAHCNEND-MNOVXSKESA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@H](C)C[C@@H](C)[NH2+]C1CCNCC1 83863856 486844553 /nfs/dbraw/zinc/84/45/53/486844553.db2.gz HNLBLKNAHCNEND-WDEREUQCSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@@H](C)C[C@@H](C)[NH2+]C1CCNCC1 83863855 486844613 /nfs/dbraw/zinc/84/46/13/486844613.db2.gz HNLBLKNAHCNEND-GHMZBOCLSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@H](C)C[C@H](C)[NH2+]C1CCNCC1 83863858 486845250 /nfs/dbraw/zinc/84/52/50/486845250.db2.gz HNLBLKNAHCNEND-QWRGUYRKSA-N 1 3 198.354 2.153 10 0 AEAEHO CCN(CC)CCC[N@H+](C)CC1CC1 675640366 486847102 /nfs/dbraw/zinc/84/71/02/486847102.db2.gz YFJYDSDNGMVRTN-UHFFFAOYSA-N 1 3 198.354 2.060 10 0 AEAEHO CCN(CC)CCC[N@@H+](C)CC1CC1 675640366 486847104 /nfs/dbraw/zinc/84/71/04/486847104.db2.gz YFJYDSDNGMVRTN-UHFFFAOYSA-N 1 3 198.354 2.060 10 0 AEAEHO CC[NH+](CC)CCCN(C)CC1CC1 675640366 486847107 /nfs/dbraw/zinc/84/71/07/486847107.db2.gz YFJYDSDNGMVRTN-UHFFFAOYSA-N 1 3 198.354 2.060 10 0 AEAEHO CCC[C@H](CC)[NH2+][C@H]1CCC[C@@H]1CN 84221357 486857002 /nfs/dbraw/zinc/85/70/02/486857002.db2.gz CGOJUQBSXKQZBL-WOPDTQHZSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CN 84221365 486857144 /nfs/dbraw/zinc/85/71/44/486857144.db2.gz COBITPRSCIUWOS-QJPTWQEYSA-N 1 3 198.354 2.282 10 0 AEAEHO CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CN 84221373 486857207 /nfs/dbraw/zinc/85/72/07/486857207.db2.gz COBITPRSCIUWOS-TUAOUCFPSA-N 1 3 198.354 2.282 10 0 AEAEHO CCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1CN 84221350 486857427 /nfs/dbraw/zinc/85/74/27/486857427.db2.gz CGOJUQBSXKQZBL-GRYCIOLGSA-N 1 3 198.354 2.282 10 0 AEAEHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CN 84220642 486857456 /nfs/dbraw/zinc/85/74/56/486857456.db2.gz DOSVRRBLHNFKAS-NNYUYHANSA-N 1 3 198.354 2.138 10 0 AEAEHO CCCCN(C)CC[C@H]1CCC[N@@H+]1C 676222241 486858474 /nfs/dbraw/zinc/85/84/74/486858474.db2.gz HPZKCLOKHWICLG-GFCCVEGCSA-N 1 3 198.354 2.203 10 0 AEAEHO CCCCN(C)CC[C@H]1CCC[N@H+]1C 676222241 486858477 /nfs/dbraw/zinc/85/84/77/486858477.db2.gz HPZKCLOKHWICLG-GFCCVEGCSA-N 1 3 198.354 2.203 10 0 AEAEHO CCCCN(C)CC[C@@H]1CCC[N@@H+]1C 676222242 486858681 /nfs/dbraw/zinc/85/86/81/486858681.db2.gz HPZKCLOKHWICLG-LBPRGKRZSA-N 1 3 198.354 2.203 10 0 AEAEHO CCCCN(C)CC[C@@H]1CCC[N@H+]1C 676222242 486858685 /nfs/dbraw/zinc/85/86/85/486858685.db2.gz HPZKCLOKHWICLG-LBPRGKRZSA-N 1 3 198.354 2.203 10 0 AEAEHO CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 86402718 486878694 /nfs/dbraw/zinc/87/86/94/486878694.db2.gz DBSLUXCRWAMMBE-SDDRHHMPSA-N 1 3 198.354 2.281 10 0 AEAEHO CC(C)C[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 86402723 486878860 /nfs/dbraw/zinc/87/88/60/486878860.db2.gz DBSLUXCRWAMMBE-SRVKXCTJSA-N 1 3 198.354 2.281 10 0 AEAEHO CC(C)[C@H](C)C[NH2+][C@H]1CCC[C@H](N)C1 86404487 486880138 /nfs/dbraw/zinc/88/01/38/486880138.db2.gz FLXQWEAJMFLAMP-WOPDTQHZSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@H](N)C1 86404483 486880723 /nfs/dbraw/zinc/88/07/23/486880723.db2.gz FLXQWEAJMFLAMP-GRYCIOLGSA-N 1 3 198.354 2.138 10 0 AEAEHO CCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 86500465 486881159 /nfs/dbraw/zinc/88/11/59/486881159.db2.gz DDUXWAFHFXRWSA-NWDGAFQWSA-N 1 3 198.354 2.297 10 0 AEAEHO CCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 86500466 486881798 /nfs/dbraw/zinc/88/17/98/486881798.db2.gz DDUXWAFHFXRWSA-VXGBXAGGSA-N 1 3 198.354 2.297 10 0 AEAEHO CCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 86500464 486881849 /nfs/dbraw/zinc/88/18/49/486881849.db2.gz DDUXWAFHFXRWSA-NEPJUHHUSA-N 1 3 198.354 2.297 10 0 AEAEHO CCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 86500463 486881974 /nfs/dbraw/zinc/88/19/74/486881974.db2.gz DDUXWAFHFXRWSA-RYUDHWBXSA-N 1 3 198.354 2.297 10 0 AEAEHO CCCC[C@H](CC)C[NH2+][C@@H]1CCNC1 86725176 486884060 /nfs/dbraw/zinc/88/40/60/486884060.db2.gz MIKXRGSNICIDGI-NWDGAFQWSA-N 1 3 198.354 2.154 10 0 AEAEHO CCCC[C@@H](CC)C[NH2+][C@@H]1CCNC1 86725173 486884182 /nfs/dbraw/zinc/88/41/82/486884182.db2.gz MIKXRGSNICIDGI-VXGBXAGGSA-N 1 3 198.354 2.154 10 0 AEAEHO CCCC[C@H](CC)C[NH2+][C@H]1CCNC1 86725183 486884281 /nfs/dbraw/zinc/88/42/81/486884281.db2.gz MIKXRGSNICIDGI-RYUDHWBXSA-N 1 3 198.354 2.154 10 0 AEAEHO CCCC[C@@H](CC)C[NH2+][C@H]1CCNC1 86725181 486884511 /nfs/dbraw/zinc/88/45/11/486884511.db2.gz MIKXRGSNICIDGI-NEPJUHHUSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[C@H](C)CN1CC[C@H]([NH3+])[C@H](C)C1 86884235 486889536 /nfs/dbraw/zinc/88/95/36/486889536.db2.gz AKYMPLLILSOEAR-TUAOUCFPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1CC[C@H](N)[C@H](C)C1 86884235 486889529 /nfs/dbraw/zinc/88/95/29/486889529.db2.gz AKYMPLLILSOEAR-TUAOUCFPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)C[N@H+]1CC[C@H](N)[C@H](C)C1 86884235 486889532 /nfs/dbraw/zinc/88/95/32/486889532.db2.gz AKYMPLLILSOEAR-TUAOUCFPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(CC)[NH2+][C@@H](C)[C@H]1CCCNC1 87156864 486891148 /nfs/dbraw/zinc/89/11/48/486891148.db2.gz CEAQGRJEFUIQFH-QWRGUYRKSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC(CC)[NH2+][C@@H](C)[C@@H]1CCCNC1 87156860 486891189 /nfs/dbraw/zinc/89/11/89/486891189.db2.gz CEAQGRJEFUIQFH-WDEREUQCSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC(CC)[NH2+][C@H](C)[C@@H]1CCCNC1 87156862 486891210 /nfs/dbraw/zinc/89/12/10/486891210.db2.gz CEAQGRJEFUIQFH-GHMZBOCLSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC(CC)[NH2+][C@H](C)[C@H]1CCCNC1 87156866 486891598 /nfs/dbraw/zinc/89/15/98/486891598.db2.gz CEAQGRJEFUIQFH-MNOVXSKESA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCCN 88131621 486909239 /nfs/dbraw/zinc/90/92/39/486909239.db2.gz ZODOCWGXZHPPHQ-GHMZBOCLSA-N 1 3 198.354 2.140 10 0 AEAEHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCN 88131619 486909445 /nfs/dbraw/zinc/90/94/45/486909445.db2.gz ZODOCWGXZHPPHQ-MNOVXSKESA-N 1 3 198.354 2.140 10 0 AEAEHO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCN 88131620 486910001 /nfs/dbraw/zinc/91/00/01/486910001.db2.gz ZODOCWGXZHPPHQ-QWRGUYRKSA-N 1 3 198.354 2.140 10 0 AEAEHO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCCN 88131622 486910063 /nfs/dbraw/zinc/91/00/63/486910063.db2.gz ZODOCWGXZHPPHQ-WDEREUQCSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)CN(C)CC[C@H]1CCC[N@@H+]1C 678074519 486916701 /nfs/dbraw/zinc/91/67/01/486916701.db2.gz FMGGCICQJYBDSD-GFCCVEGCSA-N 1 3 198.354 2.059 10 0 AEAEHO CC(C)CN(C)CC[C@H]1CCC[N@H+]1C 678074519 486916707 /nfs/dbraw/zinc/91/67/07/486916707.db2.gz FMGGCICQJYBDSD-GFCCVEGCSA-N 1 3 198.354 2.059 10 0 AEAEHO CC(C)CN(C)CC[C@@H]1CCC[N@@H+]1C 678074520 486917019 /nfs/dbraw/zinc/91/70/19/486917019.db2.gz FMGGCICQJYBDSD-LBPRGKRZSA-N 1 3 198.354 2.059 10 0 AEAEHO CC(C)CN(C)CC[C@@H]1CCC[N@H+]1C 678074520 486917020 /nfs/dbraw/zinc/91/70/20/486917020.db2.gz FMGGCICQJYBDSD-LBPRGKRZSA-N 1 3 198.354 2.059 10 0 AEAEHO CC[C@@H]1C[N@@H+]([C@@H](C)C(C)C)CC[C@@H]1N 122296086 486931724 /nfs/dbraw/zinc/93/17/24/486931724.db2.gz BJCTYLCEIADPCC-TUAOUCFPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@@H]1C[N@H+]([C@@H](C)C(C)C)CC[C@@H]1N 122296086 486931728 /nfs/dbraw/zinc/93/17/28/486931728.db2.gz BJCTYLCEIADPCC-TUAOUCFPSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H]([NH2+]CCCN)C1CCCCCC1 135312826 486942132 /nfs/dbraw/zinc/94/21/32/486942132.db2.gz PBZJGPBEPMIFNQ-NSHDSACASA-N 1 3 198.354 2.284 10 0 AEAEHO C[C@@H]([NH2+]CCCN)C1CCCCCC1 135312869 486942354 /nfs/dbraw/zinc/94/23/54/486942354.db2.gz PBZJGPBEPMIFNQ-LLVKDONJSA-N 1 3 198.354 2.284 10 0 AEAEHO CC(C)CCC[C@H](C)[NH2+]CCCN 135263446 486942510 /nfs/dbraw/zinc/94/25/10/486942510.db2.gz WJWCEOLCWCQJOF-NSHDSACASA-N 1 3 186.343 2.140 10 0 AEAEHO CC(C)CCC[C@@H](C)[NH2+]CCCN 135263424 486942895 /nfs/dbraw/zinc/94/28/95/486942895.db2.gz WJWCEOLCWCQJOF-LLVKDONJSA-N 1 3 186.343 2.140 10 0 AEAEHO CCC[NH2+]CCNC[C@H](C)CCC 161359196 486979391 /nfs/dbraw/zinc/97/93/91/486979391.db2.gz GIZAVGXENNOTHY-LLVKDONJSA-N 1 3 186.343 2.012 10 0 AEAEHO CCC[NH2+]CCNC[C@@H](C)CCC 161359304 486979730 /nfs/dbraw/zinc/97/97/30/486979730.db2.gz GIZAVGXENNOTHY-NSHDSACASA-N 1 3 186.343 2.012 10 0 AEAEHO C[NH2+]C[C@@H](C)NCC1CCC(C)CC1 162115415 486982622 /nfs/dbraw/zinc/98/26/22/486982622.db2.gz GVJOXXBAESBNDE-MOENNCHZSA-N 1 3 198.354 2.010 10 0 AEAEHO C[NH2+]C[C@H](C)NCC1CCC(C)CC1 162115281 486982817 /nfs/dbraw/zinc/98/28/17/486982817.db2.gz GVJOXXBAESBNDE-CXQJBGSLSA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@@H]([NH2+][C@H]1CCC[C@H](N)C1)C(C)(C)C 162669226 486983901 /nfs/dbraw/zinc/98/39/01/486983901.db2.gz JJQGQUGMWPTFIY-VWYCJHECSA-N 1 3 198.354 2.281 10 0 AEAEHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N)C1)C(C)(C)C 162669046 486984189 /nfs/dbraw/zinc/98/41/89/486984189.db2.gz JJQGQUGMWPTFIY-OUAUKWLOSA-N 1 3 198.354 2.281 10 0 AEAEHO CNCCC[NH2+]CC1CCC(C)CC1 163310574 486986092 /nfs/dbraw/zinc/98/60/92/486986092.db2.gz FCWMWROQDQIBNC-UHFFFAOYSA-N 1 3 198.354 2.012 10 0 AEAEHO CC[C@@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 166341647 486995570 /nfs/dbraw/zinc/99/55/70/486995570.db2.gz OJBKQASHSONFFV-VXGBXAGGSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 166341755 486995639 /nfs/dbraw/zinc/99/56/39/486995639.db2.gz OJBKQASHSONFFV-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1CC[C@H](N)C[C@@H]1C 168833926 487005283 /nfs/dbraw/zinc/00/52/83/487005283.db2.gz VAPFQLIVRMPJML-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](C)C[N@H+]1CC[C@H](N)C[C@@H]1C 168833926 487005289 /nfs/dbraw/zinc/00/52/89/487005289.db2.gz VAPFQLIVRMPJML-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](C)CN1CC[C@H]([NH3+])C[C@@H]1C 168833926 487005292 /nfs/dbraw/zinc/00/52/92/487005292.db2.gz VAPFQLIVRMPJML-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1ccccc1 205052974 487019784 /nfs/dbraw/zinc/01/97/84/487019784.db2.gz OOUFAUGTKUJRGF-VWYCJHECSA-N 1 3 192.306 2.073 10 0 AEAEHO C[C@H]([NH2+][C@H](C)[C@@H](C)N)c1ccccc1 205052999 487019819 /nfs/dbraw/zinc/01/98/19/487019819.db2.gz OOUFAUGTKUJRGF-MXWKQRLJSA-N 1 3 192.306 2.073 10 0 AEAEHO CCC[C@H](C)N1CCC([NH+](C)C)CC1 681669746 487029482 /nfs/dbraw/zinc/02/94/82/487029482.db2.gz ZWWCUQHXPRWBBU-NSHDSACASA-N 1 3 198.354 2.201 10 0 AEAEHO CCC[C@@H](C)N1CCC([NH+](C)C)CC1 681669745 487029492 /nfs/dbraw/zinc/02/94/92/487029492.db2.gz ZWWCUQHXPRWBBU-LLVKDONJSA-N 1 3 198.354 2.201 10 0 AEAEHO CCC(C)(CC)[NH2+]C[C@@H]1CCCNC1 220389101 487030361 /nfs/dbraw/zinc/03/03/61/487030361.db2.gz NMCQWUYWVGLXQD-LLVKDONJSA-N 1 3 198.354 2.154 10 0 AEAEHO CC1CCC(C[NH2+][C@H](C)CCN)CC1 220519504 487030484 /nfs/dbraw/zinc/03/04/84/487030484.db2.gz SWWMIUTXVNNQPY-MOENNCHZSA-N 1 3 198.354 2.140 10 0 AEAEHO CCC(C)(CC)[NH2+]C[C@H]1CCCNC1 220389170 487030526 /nfs/dbraw/zinc/03/05/26/487030526.db2.gz NMCQWUYWVGLXQD-NSHDSACASA-N 1 3 198.354 2.154 10 0 AEAEHO CC1CCC(C[NH2+][C@@H](C)CCN)CC1 220519435 487030605 /nfs/dbraw/zinc/03/06/05/487030605.db2.gz SWWMIUTXVNNQPY-CXQJBGSLSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)C[C@H]([NH3+])CN1C[C@@H](C)C[C@@H]1C 222608528 487033981 /nfs/dbraw/zinc/03/39/81/487033981.db2.gz VTZWUZLBKJFOAC-SRVKXCTJSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 226332941 487049392 /nfs/dbraw/zinc/04/93/92/487049392.db2.gz CXBYJIRCFZKLGA-GRYCIOLGSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)N)C1 226332941 487049398 /nfs/dbraw/zinc/04/93/98/487049398.db2.gz CXBYJIRCFZKLGA-GRYCIOLGSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1CC[C@@H](N)[C@@H](C)C1 227054838 487054211 /nfs/dbraw/zinc/05/42/11/487054211.db2.gz AKYMPLLILSOEAR-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)C[N@H+]1CC[C@@H](N)[C@@H](C)C1 227054838 487054217 /nfs/dbraw/zinc/05/42/17/487054217.db2.gz AKYMPLLILSOEAR-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)CN1CC[C@@H]([NH3+])[C@@H](C)C1 227054838 487054222 /nfs/dbraw/zinc/05/42/22/487054222.db2.gz AKYMPLLILSOEAR-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1CC[C@@H]([C@@H](C)N)C1 227199815 487054661 /nfs/dbraw/zinc/05/46/61/487054661.db2.gz VVAVHGPXXQMGDS-QJPTWQEYSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)C[N@H+]1CC[C@@H]([C@@H](C)N)C1 227199815 487054662 /nfs/dbraw/zinc/05/46/62/487054662.db2.gz VVAVHGPXXQMGDS-QJPTWQEYSA-N 1 3 198.354 2.092 10 0 AEAEHO CC1CCC(CN(C)CCC[NH3+])CC1 227742535 487055637 /nfs/dbraw/zinc/05/56/37/487055637.db2.gz DVYZFPYNTGBCJB-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO CC1CCC(C[N@H+](C)CCCN)CC1 227742535 487055632 /nfs/dbraw/zinc/05/56/32/487055632.db2.gz DVYZFPYNTGBCJB-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO CC1CCC(C[N@@H+](C)CCCN)CC1 227742535 487055635 /nfs/dbraw/zinc/05/56/35/487055635.db2.gz DVYZFPYNTGBCJB-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1C[C@@H](CN)C[C@@H]1C 228060211 487057212 /nfs/dbraw/zinc/05/72/12/487057212.db2.gz DRJHQAMYMRKIJX-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)C[N@H+]1C[C@@H](CN)C[C@@H]1C 228060211 487057215 /nfs/dbraw/zinc/05/72/15/487057215.db2.gz DRJHQAMYMRKIJX-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 228739707 487061881 /nfs/dbraw/zinc/06/18/81/487061881.db2.gz OJBKQASHSONFFV-NEPJUHHUSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 228739716 487062518 /nfs/dbraw/zinc/06/25/18/487062518.db2.gz OJBKQASHSONFFV-RYUDHWBXSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]([NH2+][C@H]1CCC[C@@H](N)C1)C(C)(C)C 228950545 487063304 /nfs/dbraw/zinc/06/33/04/487063304.db2.gz JJQGQUGMWPTFIY-MXWKQRLJSA-N 1 3 198.354 2.281 10 0 AEAEHO C[C@@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C(C)(C)C 228950525 487063331 /nfs/dbraw/zinc/06/33/31/487063331.db2.gz JJQGQUGMWPTFIY-GMTAPVOTSA-N 1 3 198.354 2.281 10 0 AEAEHO CC(C)[C@H]1CCC[C@H]([NH2+]CCCN)C1 230991909 487076568 /nfs/dbraw/zinc/07/65/68/487076568.db2.gz WYAJWMCDIFDGTG-RYUDHWBXSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCN)C1 230991902 487076669 /nfs/dbraw/zinc/07/66/69/487076669.db2.gz WYAJWMCDIFDGTG-VXGBXAGGSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)[C@@H]1CCC[C@H]([NH2+]CCCN)C1 230991908 487076900 /nfs/dbraw/zinc/07/69/00/487076900.db2.gz WYAJWMCDIFDGTG-NEPJUHHUSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)[C@H]1CCC[C@@H]([NH2+]CCCN)C1 230991905 487077013 /nfs/dbraw/zinc/07/70/13/487077013.db2.gz WYAJWMCDIFDGTG-NWDGAFQWSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)(C)CC[NH2+]C(C)(C)CCN 230857496 487077120 /nfs/dbraw/zinc/07/71/20/487077120.db2.gz HMVBYKZAKPUQNI-UHFFFAOYSA-N 1 3 186.343 2.140 10 0 AEAEHO CC(C)C(C)(C)C[NH2+]C1CCNCC1 232674694 487084357 /nfs/dbraw/zinc/08/43/57/487084357.db2.gz BZRGJVOOIOKJNF-UHFFFAOYSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)[C@H](N)CC[NH2+]CC1(C)CCC1 232712737 487084747 /nfs/dbraw/zinc/08/47/47/487084747.db2.gz CSLXPVHXQATXJO-LLVKDONJSA-N 1 3 198.354 2.140 10 0 AEAEHO CCC(C)(C)C[NH2+]C[C@H]1CCCNC1 232896946 487087130 /nfs/dbraw/zinc/08/71/30/487087130.db2.gz LGAHQNGCWHNXAK-NSHDSACASA-N 1 3 198.354 2.012 10 0 AEAEHO CCC(C)(C)C[NH2+]C[C@@H]1CCCNC1 232886728 487087099 /nfs/dbraw/zinc/08/70/99/487087099.db2.gz LGAHQNGCWHNXAK-LLVKDONJSA-N 1 3 198.354 2.012 10 0 AEAEHO C[C@@H](NC[C@H]1CCCC[NH2+]1)C(C)(C)C 235204181 487100478 /nfs/dbraw/zinc/10/04/78/487100478.db2.gz BSBQNNKUVNDCOM-GHMZBOCLSA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@@H](NC[C@@H]1CCCC[NH2+]1)C(C)(C)C 235222812 487101949 /nfs/dbraw/zinc/10/19/49/487101949.db2.gz BSBQNNKUVNDCOM-MNOVXSKESA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@H](NC[C@@H]1CCCC[NH2+]1)C(C)(C)C 235523540 487104601 /nfs/dbraw/zinc/10/46/01/487104601.db2.gz BSBQNNKUVNDCOM-QWRGUYRKSA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@H](NC[C@H]1CCCC[NH2+]1)C(C)(C)C 235509879 487104831 /nfs/dbraw/zinc/10/48/31/487104831.db2.gz BSBQNNKUVNDCOM-WDEREUQCSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](CC)[NH2+][C@H]1CCC[C@H]1CN 251095885 487114672 /nfs/dbraw/zinc/11/46/72/487114672.db2.gz CGOJUQBSXKQZBL-SRVKXCTJSA-N 1 3 198.354 2.282 10 0 AEAEHO CCC[C@H](CC)[NH2+][C@@H]1CCC[C@H]1CN 251095883 487114948 /nfs/dbraw/zinc/11/49/48/487114948.db2.gz CGOJUQBSXKQZBL-SDDRHHMPSA-N 1 3 198.354 2.282 10 0 AEAEHO CC(C)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)N)C1 251278595 487116051 /nfs/dbraw/zinc/11/60/51/487116051.db2.gz CXBYJIRCFZKLGA-SDDRHHMPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)N)C1 251278595 487116057 /nfs/dbraw/zinc/11/60/57/487116057.db2.gz CXBYJIRCFZKLGA-SDDRHHMPSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1C[C@@H](CN)C[C@H]1C 251267817 487116159 /nfs/dbraw/zinc/11/61/59/487116159.db2.gz DRJHQAMYMRKIJX-QJPTWQEYSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)C[N@H+]1C[C@@H](CN)C[C@H]1C 251267817 487116165 /nfs/dbraw/zinc/11/61/65/487116165.db2.gz DRJHQAMYMRKIJX-QJPTWQEYSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CN 251267355 487116380 /nfs/dbraw/zinc/11/63/80/487116380.db2.gz COBITPRSCIUWOS-SDDRHHMPSA-N 1 3 198.354 2.282 10 0 AEAEHO CC(C)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)N)C1 251278599 487116425 /nfs/dbraw/zinc/11/64/25/487116425.db2.gz CXBYJIRCFZKLGA-SRVKXCTJSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)N)C1 251278599 487116428 /nfs/dbraw/zinc/11/64/28/487116428.db2.gz CXBYJIRCFZKLGA-SRVKXCTJSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1CC[C@H](N)[C@@H](C)C1 251239566 487116483 /nfs/dbraw/zinc/11/64/83/487116483.db2.gz AKYMPLLILSOEAR-SRVKXCTJSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)C[N@H+]1CC[C@H](N)[C@@H](C)C1 251239566 487116487 /nfs/dbraw/zinc/11/64/87/487116487.db2.gz AKYMPLLILSOEAR-SRVKXCTJSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)CN1CC[C@H]([NH3+])[C@@H](C)C1 251239566 487116490 /nfs/dbraw/zinc/11/64/90/487116490.db2.gz AKYMPLLILSOEAR-SRVKXCTJSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1CN 251267357 487116526 /nfs/dbraw/zinc/11/65/26/487116526.db2.gz COBITPRSCIUWOS-SRVKXCTJSA-N 1 3 198.354 2.282 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1CC[C@@H](N)[C@H](C)C1 251239563 487116612 /nfs/dbraw/zinc/11/66/12/487116612.db2.gz AKYMPLLILSOEAR-QJPTWQEYSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)C[N@H+]1CC[C@@H](N)[C@H](C)C1 251239563 487116616 /nfs/dbraw/zinc/11/66/16/487116616.db2.gz AKYMPLLILSOEAR-QJPTWQEYSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)CN1CC[C@@H]([NH3+])[C@H](C)C1 251239563 487116618 /nfs/dbraw/zinc/11/66/18/487116618.db2.gz AKYMPLLILSOEAR-QJPTWQEYSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1C[C@H](CN)C[C@H]1C 251267821 487116639 /nfs/dbraw/zinc/11/66/39/487116639.db2.gz DRJHQAMYMRKIJX-TUAOUCFPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)C[N@H+]1C[C@H](CN)C[C@H]1C 251267821 487116641 /nfs/dbraw/zinc/11/66/41/487116641.db2.gz DRJHQAMYMRKIJX-TUAOUCFPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1CCC[C@H]1CNC 251394879 487118226 /nfs/dbraw/zinc/11/82/26/487118226.db2.gz YSYXRTDYBHMGEM-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](C)C[N@H+]1CCC[C@H]1CNC 251394879 487118231 /nfs/dbraw/zinc/11/82/31/487118231.db2.gz YSYXRTDYBHMGEM-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC 251394877 487118278 /nfs/dbraw/zinc/11/82/78/487118278.db2.gz YSYXRTDYBHMGEM-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](C)C[N@H+]1CCC[C@H]1CNC 251394877 487118282 /nfs/dbraw/zinc/11/82/82/487118282.db2.gz YSYXRTDYBHMGEM-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](C)C[N@H+](C)[C@H]1CCCNCC1 251728688 487118978 /nfs/dbraw/zinc/11/89/78/487118978.db2.gz FJLOHYCHYZCQRZ-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H](C)C[N@@H+](C)[C@H]1CCCNCC1 251728688 487118981 /nfs/dbraw/zinc/11/89/81/487118981.db2.gz FJLOHYCHYZCQRZ-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H]1CN 251716326 487119375 /nfs/dbraw/zinc/11/93/75/487119375.db2.gz DOSVRRBLHNFKAS-BJDJZHNGSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@H](C)C[N@H+](C)[C@H]1CCCNCC1 251728694 487119569 /nfs/dbraw/zinc/11/95/69/487119569.db2.gz FJLOHYCHYZCQRZ-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)C[N@@H+](C)[C@H]1CCCNCC1 251728694 487119573 /nfs/dbraw/zinc/11/95/73/487119573.db2.gz FJLOHYCHYZCQRZ-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H]1CN 251716329 487119726 /nfs/dbraw/zinc/11/97/26/487119726.db2.gz DOSVRRBLHNFKAS-YFKTTZPYSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1CN 251716328 487119750 /nfs/dbraw/zinc/11/97/50/487119750.db2.gz DOSVRRBLHNFKAS-FIQHERPVSA-N 1 3 198.354 2.138 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1CC[C@H](N)C[C@H]1C 252690477 487126360 /nfs/dbraw/zinc/12/63/60/487126360.db2.gz VAPFQLIVRMPJML-TUAOUCFPSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](C)C[N@H+]1CC[C@H](N)C[C@H]1C 252690477 487126364 /nfs/dbraw/zinc/12/63/64/487126364.db2.gz VAPFQLIVRMPJML-TUAOUCFPSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](C)CN1CC[C@H]([NH3+])C[C@H]1C 252690477 487126369 /nfs/dbraw/zinc/12/63/69/487126369.db2.gz VAPFQLIVRMPJML-TUAOUCFPSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1CC[C@@H](N)C[C@H]1C 252690476 487126437 /nfs/dbraw/zinc/12/64/37/487126437.db2.gz VAPFQLIVRMPJML-QJPTWQEYSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](C)C[N@H+]1CC[C@@H](N)C[C@H]1C 252690476 487126440 /nfs/dbraw/zinc/12/64/40/487126440.db2.gz VAPFQLIVRMPJML-QJPTWQEYSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](C)CN1CC[C@@H]([NH3+])C[C@H]1C 252690476 487126443 /nfs/dbraw/zinc/12/64/43/487126443.db2.gz VAPFQLIVRMPJML-QJPTWQEYSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1CC[C@H]([C@H](C)N)C1 252792619 487127606 /nfs/dbraw/zinc/12/76/06/487127606.db2.gz VVAVHGPXXQMGDS-SRVKXCTJSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)C[N@H+]1CC[C@H]([C@H](C)N)C1 252792619 487127610 /nfs/dbraw/zinc/12/76/10/487127610.db2.gz VVAVHGPXXQMGDS-SRVKXCTJSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1CC[C@@H]([C@H](C)N)C1 252792618 487127851 /nfs/dbraw/zinc/12/78/51/487127851.db2.gz VVAVHGPXXQMGDS-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)C[N@H+]1CC[C@@H]([C@H](C)N)C1 252792618 487127854 /nfs/dbraw/zinc/12/78/54/487127854.db2.gz VVAVHGPXXQMGDS-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@H]([NH3+])CN1C[C@@H](C)C[C@H]1C 253080800 487131432 /nfs/dbraw/zinc/13/14/32/487131432.db2.gz VTZWUZLBKJFOAC-TUAOUCFPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@H]([NH3+])CN1C[C@H](C)C[C@@H]1C 253080802 487131463 /nfs/dbraw/zinc/13/14/63/487131463.db2.gz VTZWUZLBKJFOAC-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@H]([NH3+])CN1C[C@H](C)C[C@H]1C 253080801 487132001 /nfs/dbraw/zinc/13/20/01/487132001.db2.gz VTZWUZLBKJFOAC-UTUOFQBUSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](NCC[C@@H](C)[NH3+])c1ccccc1 258666507 487135172 /nfs/dbraw/zinc/13/51/72/487135172.db2.gz HHYKNZYFMPRHNA-MNOVXSKESA-N 1 3 192.306 2.075 10 0 AEAEHO C[C@@H]([NH3+])CCN[C@H](C)c1ccccc1 258666505 487134727 /nfs/dbraw/zinc/13/47/27/487134727.db2.gz HHYKNZYFMPRHNA-GHMZBOCLSA-N 1 3 192.306 2.075 10 0 AEAEHO CC(C)CCC[NH2+]C(C)(C)CCN 258744460 487134757 /nfs/dbraw/zinc/13/47/57/487134757.db2.gz FXAFVFYTKZTRHO-UHFFFAOYSA-N 1 3 186.343 2.140 10 0 AEAEHO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCNC1 258776481 487135572 /nfs/dbraw/zinc/13/55/72/487135572.db2.gz BGILGJYOGHWBHZ-SNVBAGLBSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)CC(C)(C)C[NH2+][C@H]1CCNC1 258811957 487135738 /nfs/dbraw/zinc/13/57/38/487135738.db2.gz CPJIEXLJHZSRSW-NSHDSACASA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@H](N)CC[NH2+]CCC1CCCCC1 258849331 487135897 /nfs/dbraw/zinc/13/58/97/487135897.db2.gz XDMSXXUQCHLKGW-NSHDSACASA-N 1 3 198.354 2.284 10 0 AEAEHO CC(C)(CCN)[NH2+]CC1CCCCC1 258816100 487135938 /nfs/dbraw/zinc/13/59/38/487135938.db2.gz LBVPZHHEMLFJMY-UHFFFAOYSA-N 1 3 198.354 2.284 10 0 AEAEHO CC(C)(C)C(C)(C)C[NH2+][C@H]1CCNC1 258776477 487136013 /nfs/dbraw/zinc/13/60/13/487136013.db2.gz BGILGJYOGHWBHZ-JTQLQIEISA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)CC(C)(C)C[NH2+][C@@H]1CCNC1 258811955 487136185 /nfs/dbraw/zinc/13/61/85/487136185.db2.gz CPJIEXLJHZSRSW-LLVKDONJSA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@@H](N)CC[NH2+]CCC1CCCCC1 258849328 487136245 /nfs/dbraw/zinc/13/62/45/487136245.db2.gz XDMSXXUQCHLKGW-LLVKDONJSA-N 1 3 198.354 2.284 10 0 AEAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 300392562 487143509 /nfs/dbraw/zinc/14/35/09/487143509.db2.gz WXXJITPBKTWNRD-WYUUTHIRSA-N 1 3 196.338 2.035 10 0 AEAEHO CCC[C@@H]1C[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 300392562 487143512 /nfs/dbraw/zinc/14/35/12/487143512.db2.gz WXXJITPBKTWNRD-WYUUTHIRSA-N 1 3 196.338 2.035 10 0 AEAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 300392561 487143551 /nfs/dbraw/zinc/14/35/51/487143551.db2.gz WXXJITPBKTWNRD-RHYQMDGZSA-N 1 3 196.338 2.035 10 0 AEAEHO CCC[C@@H]1C[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 300392561 487143552 /nfs/dbraw/zinc/14/35/52/487143552.db2.gz WXXJITPBKTWNRD-RHYQMDGZSA-N 1 3 196.338 2.035 10 0 AEAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 300392560 487143579 /nfs/dbraw/zinc/14/35/79/487143579.db2.gz WXXJITPBKTWNRD-KXNHARMFSA-N 1 3 196.338 2.035 10 0 AEAEHO CCC[C@@H]1C[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 300392560 487143580 /nfs/dbraw/zinc/14/35/80/487143580.db2.gz WXXJITPBKTWNRD-KXNHARMFSA-N 1 3 196.338 2.035 10 0 AEAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 300392559 487143640 /nfs/dbraw/zinc/14/36/40/487143640.db2.gz WXXJITPBKTWNRD-KKOKHZNYSA-N 1 3 196.338 2.035 10 0 AEAEHO CCC[C@@H]1C[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 300392559 487143643 /nfs/dbraw/zinc/14/36/43/487143643.db2.gz WXXJITPBKTWNRD-KKOKHZNYSA-N 1 3 196.338 2.035 10 0 AEAEHO CN(CCC[NH+](C)C)CC1(C)CCC1 685452103 487144618 /nfs/dbraw/zinc/14/46/18/487144618.db2.gz XXTPAWXNTKQBGH-UHFFFAOYSA-N 1 3 198.354 2.060 10 0 AEAEHO CC(C)C[C@H](C)[NH2+]CCCNC1CC1 308460597 487201092 /nfs/dbraw/zinc/20/10/92/487201092.db2.gz GBUHLXKYWUNEFY-NSHDSACASA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[C@@H](C)[NH2+]CCCNC1CC1 308460596 487201205 /nfs/dbraw/zinc/20/12/05/487201205.db2.gz GBUHLXKYWUNEFY-LLVKDONJSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC1(C)C 308539694 487203100 /nfs/dbraw/zinc/20/31/00/487203100.db2.gz NKLIAGPMSMJVAW-MNOVXSKESA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)[C@H]([NH3+])CCN[C@H]1CCC1(C)C 308539694 487203103 /nfs/dbraw/zinc/20/31/03/487203103.db2.gz NKLIAGPMSMJVAW-MNOVXSKESA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)C[C@H](C)CN1CC[C@@H]([NH3+])[C@H]1C 308564146 487203121 /nfs/dbraw/zinc/20/31/21/487203121.db2.gz ZDNNJWKVCYVEIJ-QJPTWQEYSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@H](C)CN1CC[C@@H]([NH3+])[C@@H]1C 308564148 487203368 /nfs/dbraw/zinc/20/33/68/487203368.db2.gz ZDNNJWKVCYVEIJ-SDDRHHMPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC1(C)C 308539693 487203530 /nfs/dbraw/zinc/20/35/30/487203530.db2.gz NKLIAGPMSMJVAW-GHMZBOCLSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCC1(C)C 308539693 487203533 /nfs/dbraw/zinc/20/35/33/487203533.db2.gz NKLIAGPMSMJVAW-GHMZBOCLSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)C[C@H](C)CN1CC[C@H]([NH3+])[C@@H]1C 308564150 487203924 /nfs/dbraw/zinc/20/39/24/487203924.db2.gz ZDNNJWKVCYVEIJ-SRVKXCTJSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@H](C)CN1CC[C@H]([NH3+])[C@H]1C 308564152 487204117 /nfs/dbraw/zinc/20/41/17/487204117.db2.gz ZDNNJWKVCYVEIJ-TUAOUCFPSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC[C@H](CC)[NH2+][C@@H]1CCNC[C@H]1C 308653418 487205789 /nfs/dbraw/zinc/20/57/89/487205789.db2.gz LWMAIVDYIDQKME-GRYCIOLGSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](CC)[NH2+][C@@H]1CCNC[C@@H]1C 308653419 487205962 /nfs/dbraw/zinc/20/59/62/487205962.db2.gz LWMAIVDYIDQKME-SDDRHHMPSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](CC)[NH2+][C@H]1CCNC[C@@H]1C 308653420 487206218 /nfs/dbraw/zinc/20/62/18/487206218.db2.gz LWMAIVDYIDQKME-SRVKXCTJSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](CC)[NH2+][C@H]1CCNC[C@H]1C 308653421 487206272 /nfs/dbraw/zinc/20/62/72/487206272.db2.gz LWMAIVDYIDQKME-WOPDTQHZSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)CCC[NH2+][C@H]1CCNC[C@@H]1C 308660586 487206591 /nfs/dbraw/zinc/20/65/91/487206591.db2.gz POXCYHMFXKCPIX-RYUDHWBXSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)CCC[NH2+][C@@H]1CCNC[C@H]1C 308660587 487206773 /nfs/dbraw/zinc/20/67/73/487206773.db2.gz POXCYHMFXKCPIX-VXGBXAGGSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC(CC)C[NH2+][C@@H]1CCNC[C@H]1C 308660615 487206886 /nfs/dbraw/zinc/20/68/86/487206886.db2.gz PPPXJXQPMOTLQU-ZYHUDNBSSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC(CC)C[NH2+][C@H]1CCNC[C@H]1C 308660614 487206932 /nfs/dbraw/zinc/20/69/32/487206932.db2.gz PPPXJXQPMOTLQU-PWSUYJOCSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC(CC)C[NH2+][C@@H]1CCNC[C@@H]1C 308660612 487206980 /nfs/dbraw/zinc/20/69/80/487206980.db2.gz PPPXJXQPMOTLQU-CMPLNLGQSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)CCC[NH2+][C@@H]1CCNC[C@@H]1C 308660585 487207096 /nfs/dbraw/zinc/20/70/96/487207096.db2.gz POXCYHMFXKCPIX-NWDGAFQWSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)CCC[NH2+][C@H]1CCNC[C@H]1C 308660584 487207109 /nfs/dbraw/zinc/20/71/09/487207109.db2.gz POXCYHMFXKCPIX-NEPJUHHUSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC(CC)C[NH2+][C@H]1CCNC[C@@H]1C 308660613 487207167 /nfs/dbraw/zinc/20/71/67/487207167.db2.gz PPPXJXQPMOTLQU-JQWIXIFHSA-N 1 3 198.354 2.010 10 0 AEAEHO CCCC[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C 379524843 487244297 /nfs/dbraw/zinc/24/42/97/487244297.db2.gz FRIAOEPTBMSIET-GRYCIOLGSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCC[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C 379524845 487244620 /nfs/dbraw/zinc/24/46/20/487244620.db2.gz FRIAOEPTBMSIET-SRVKXCTJSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCC[C@H](C)[NH2+][C@H]1CCNC[C@H]1C 379524848 487244642 /nfs/dbraw/zinc/24/46/42/487244642.db2.gz FRIAOEPTBMSIET-WOPDTQHZSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCC[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C 379524844 487244650 /nfs/dbraw/zinc/24/46/50/487244650.db2.gz FRIAOEPTBMSIET-SDDRHHMPSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C 379546427 487245131 /nfs/dbraw/zinc/24/51/31/487245131.db2.gz XCIHEZZNDJISBU-SDDRHHMPSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)C[C@H](C)[NH2+][C@H]1CCNC[C@H]1C 379546436 487245159 /nfs/dbraw/zinc/24/51/59/487245159.db2.gz XCIHEZZNDJISBU-WOPDTQHZSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)C[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C 379546426 487245184 /nfs/dbraw/zinc/24/51/84/487245184.db2.gz XCIHEZZNDJISBU-GRYCIOLGSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)C[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C 379546428 487245262 /nfs/dbraw/zinc/24/52/62/487245262.db2.gz XCIHEZZNDJISBU-SRVKXCTJSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)C[C@H]([NH3+])CN1CC[C@@H](C)[C@@H]1C 380654364 487248072 /nfs/dbraw/zinc/24/80/72/487248072.db2.gz FBUXRPQPCWPQEF-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@H]([NH3+])CN1CC[C@H](C)[C@H]1C 380654362 487248272 /nfs/dbraw/zinc/24/82/72/487248272.db2.gz FBUXRPQPCWPQEF-TUAOUCFPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@H]([NH3+])CN1CC[C@H](C)[C@@H]1C 380654311 487248497 /nfs/dbraw/zinc/24/84/97/487248497.db2.gz FBUXRPQPCWPQEF-SRVKXCTJSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@H]([NH3+])CN1CC[C@@H](C)[C@H]1C 380654363 487248598 /nfs/dbraw/zinc/24/85/98/487248598.db2.gz FBUXRPQPCWPQEF-UTUOFQBUSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H]1CNCC[C@H]1[NH2+]CCC(C)(C)C 389205712 487262006 /nfs/dbraw/zinc/26/20/06/487262006.db2.gz GKYXSZBTWBVYAO-WDEREUQCSA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@@H]1CNCC[C@H]1[NH2+]CCC(C)(C)C 389205704 487262039 /nfs/dbraw/zinc/26/20/39/487262039.db2.gz GKYXSZBTWBVYAO-GHMZBOCLSA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@H]1CNCC[C@@H]1[NH2+]CCC(C)(C)C 389205709 487262051 /nfs/dbraw/zinc/26/20/51/487262051.db2.gz GKYXSZBTWBVYAO-QWRGUYRKSA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@@H]1CNCC[C@@H]1[NH2+]CCC(C)(C)C 389205707 487262202 /nfs/dbraw/zinc/26/22/02/487262202.db2.gz GKYXSZBTWBVYAO-MNOVXSKESA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)(C)C[C@H]1CCC[N@@H+]1CCCN 666633575 487330880 /nfs/dbraw/zinc/33/08/80/487330880.db2.gz HNTKLPNLOJJUHX-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)(C)C[C@H]1CCC[N@H+]1CCCN 666633575 487330884 /nfs/dbraw/zinc/33/08/84/487330884.db2.gz HNTKLPNLOJJUHX-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)C[C@@H]([NH3+])CN1[C@@H](C)CC[C@H]1C 666650690 487331730 /nfs/dbraw/zinc/33/17/30/487331730.db2.gz DRYSIRMGBBLTEW-GRYCIOLGSA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCCN 666633576 487331212 /nfs/dbraw/zinc/33/12/12/487331212.db2.gz HNTKLPNLOJJUHX-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)(C)C[C@@H]1CCC[N@H+]1CCCN 666633576 487331217 /nfs/dbraw/zinc/33/12/17/487331217.db2.gz HNTKLPNLOJJUHX-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(C)(C)[C@H]1CCC[N@@H+]1CCCN 666648094 487331824 /nfs/dbraw/zinc/33/18/24/487331824.db2.gz HGMWWOQAMGPTCF-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(C)(C)[C@H]1CCC[N@H+]1CCCN 666648094 487331829 /nfs/dbraw/zinc/33/18/29/487331829.db2.gz HGMWWOQAMGPTCF-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)C[C@H]([NH3+])CN1[C@@H](C)CC[C@@H]1C 666650691 487331840 /nfs/dbraw/zinc/33/18/40/487331840.db2.gz DRYSIRMGBBLTEW-SRVKXCTJSA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)C[C@H]([NH3+])CN1[C@H](C)CC[C@H]1C 666650693 487332311 /nfs/dbraw/zinc/33/23/11/487332311.db2.gz DRYSIRMGBBLTEW-UTUOFQBUSA-N 1 3 198.354 2.233 10 0 AEAEHO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCCN 666648095 487332314 /nfs/dbraw/zinc/33/23/14/487332314.db2.gz HGMWWOQAMGPTCF-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(C)(C)[C@@H]1CCC[N@H+]1CCCN 666648095 487332315 /nfs/dbraw/zinc/33/23/15/487332315.db2.gz HGMWWOQAMGPTCF-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)C[C@H]([NH3+])CN1[C@@H](C)CC[C@H]1C 666650692 487332467 /nfs/dbraw/zinc/33/24/67/487332467.db2.gz DRYSIRMGBBLTEW-TUAOUCFPSA-N 1 3 198.354 2.233 10 0 AEAEHO CCC[C@@H](C)C[NH2+]C[C@@H]1CCCNC1 666764536 487334951 /nfs/dbraw/zinc/33/49/51/487334951.db2.gz IFLKPKUDLHAYGR-VXGBXAGGSA-N 1 3 198.354 2.012 10 0 AEAEHO CCC[C@H](C)C[NH2+]C[C@H]1CCCNC1 666764534 487334984 /nfs/dbraw/zinc/33/49/84/487334984.db2.gz IFLKPKUDLHAYGR-RYUDHWBXSA-N 1 3 198.354 2.012 10 0 AEAEHO CCC[C@@H](C)C[NH2+]C[C@H]1CCCNC1 666764524 487335389 /nfs/dbraw/zinc/33/53/89/487335389.db2.gz IFLKPKUDLHAYGR-NEPJUHHUSA-N 1 3 198.354 2.012 10 0 AEAEHO CCC[C@H](C)C[NH2+]C[C@@H]1CCCNC1 666764533 487335395 /nfs/dbraw/zinc/33/53/95/487335395.db2.gz IFLKPKUDLHAYGR-NWDGAFQWSA-N 1 3 198.354 2.012 10 0 AEAEHO CC(C)CC[NH2+][C@H](C)[C@@H]1CCCNC1 666774707 487335627 /nfs/dbraw/zinc/33/56/27/487335627.db2.gz ZCACEAIPQWNUPP-VXGBXAGGSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)CC[NH2+][C@@H](C)[C@@H]1CCCNC1 666774705 487335686 /nfs/dbraw/zinc/33/56/86/487335686.db2.gz ZCACEAIPQWNUPP-NWDGAFQWSA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@H]1C[C@@H](C)C[C@H]([NH2+]CC[C@@H](C)N)C1 666775791 487335803 /nfs/dbraw/zinc/33/58/03/487335803.db2.gz SMZLUGWUCOKNGY-KXNHARMFSA-N 1 3 198.354 2.138 10 0 AEAEHO CCC[C@@H](C)CNC[C@@H]1CCCC[NH2+]1 666769324 487335986 /nfs/dbraw/zinc/33/59/86/487335986.db2.gz YSQULNYTUJOWOJ-NEPJUHHUSA-N 1 3 198.354 2.154 10 0 AEAEHO CC(C)CC[NH2+][C@@H](C)[C@H]1CCCNC1 666774706 487336257 /nfs/dbraw/zinc/33/62/57/487336257.db2.gz ZCACEAIPQWNUPP-RYUDHWBXSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[C@H](C)CNC[C@@H]1CCCC[NH2+]1 666769326 487336126 /nfs/dbraw/zinc/33/61/26/487336126.db2.gz YSQULNYTUJOWOJ-RYUDHWBXSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[C@H](C)CNC[C@H]1CCCC[NH2+]1 666769325 487336182 /nfs/dbraw/zinc/33/61/82/487336182.db2.gz YSQULNYTUJOWOJ-NWDGAFQWSA-N 1 3 198.354 2.154 10 0 AEAEHO CC(C)CC[NH2+][C@H](C)[C@H]1CCCNC1 666774704 487336269 /nfs/dbraw/zinc/33/62/69/487336269.db2.gz ZCACEAIPQWNUPP-NEPJUHHUSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[C@@H](C)CNC[C@H]1CCCC[NH2+]1 666769327 487336220 /nfs/dbraw/zinc/33/62/20/487336220.db2.gz YSQULNYTUJOWOJ-VXGBXAGGSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[C@@H](C)C[NH2+][C@H]1CCCNCC1 666856579 487342153 /nfs/dbraw/zinc/34/21/53/487342153.db2.gz RRAIXHUKHLYETD-NEPJUHHUSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@@H]1CCC[C@H](N)C1 666853126 487342169 /nfs/dbraw/zinc/34/21/69/487342169.db2.gz OIRGFDKZWFGOPZ-SDDRHHMPSA-N 1 3 198.354 2.282 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@H]1CCCNCC1 666856581 487342283 /nfs/dbraw/zinc/34/22/83/487342283.db2.gz RRAIXHUKHLYETD-RYUDHWBXSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@@H]1CCCNCC1 666856580 487342308 /nfs/dbraw/zinc/34/23/08/487342308.db2.gz RRAIXHUKHLYETD-NWDGAFQWSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@H]1CCC[C@H](N)C1 666853127 487342363 /nfs/dbraw/zinc/34/23/63/487342363.db2.gz OIRGFDKZWFGOPZ-SRVKXCTJSA-N 1 3 198.354 2.282 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](N)C1 666853125 487342406 /nfs/dbraw/zinc/34/24/06/487342406.db2.gz OIRGFDKZWFGOPZ-QJPTWQEYSA-N 1 3 198.354 2.282 10 0 AEAEHO CCC[C@@H](C)C[NH2+][C@@H]1CCCNCC1 666856582 487342413 /nfs/dbraw/zinc/34/24/13/487342413.db2.gz RRAIXHUKHLYETD-VXGBXAGGSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@H]1CCC[C@@H](N)C1 666853128 487342501 /nfs/dbraw/zinc/34/25/01/487342501.db2.gz OIRGFDKZWFGOPZ-TUAOUCFPSA-N 1 3 198.354 2.282 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@@H]1CCN[C@H](C)C1 666873262 487344055 /nfs/dbraw/zinc/34/40/55/487344055.db2.gz RDDMSWIFFGNUNG-QJPTWQEYSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@@H]1CCN[C@@H](C)C1 666873263 487344362 /nfs/dbraw/zinc/34/43/62/487344362.db2.gz RDDMSWIFFGNUNG-SDDRHHMPSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@H]1CCN[C@@H](C)C1 666873264 487344402 /nfs/dbraw/zinc/34/44/02/487344402.db2.gz RDDMSWIFFGNUNG-SRVKXCTJSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@H]1CCN[C@H](C)C1 666873265 487344493 /nfs/dbraw/zinc/34/44/93/487344493.db2.gz RDDMSWIFFGNUNG-TUAOUCFPSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](C)C[NH2+]C1(C)CCNCC1 666881383 487345039 /nfs/dbraw/zinc/34/50/39/487345039.db2.gz GPRNWTUPSSKQLZ-NSHDSACASA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@@H]1CCNC[C@H]1C 666879662 487345101 /nfs/dbraw/zinc/34/51/01/487345101.db2.gz WDRBNVMJIBIQSU-QJPTWQEYSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@H]1CCNC[C@@H]1C 666879664 487345077 /nfs/dbraw/zinc/34/50/77/487345077.db2.gz WDRBNVMJIBIQSU-SRVKXCTJSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@H]1CCNC[C@H]1C 666879665 487344998 /nfs/dbraw/zinc/34/49/98/487344998.db2.gz WDRBNVMJIBIQSU-TUAOUCFPSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[C@@H](C)C[NH2+]C1(C)CCNCC1 666881382 487345249 /nfs/dbraw/zinc/34/52/49/487345249.db2.gz GPRNWTUPSSKQLZ-LLVKDONJSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[C@@H](C)CNC[C@@H](C)[NH2+]CC 666877260 487345299 /nfs/dbraw/zinc/34/52/99/487345299.db2.gz YJZPVGYUSBLBFK-GHMZBOCLSA-N 1 3 186.343 2.010 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@@H]1CCNC[C@@H]1C 666879663 487345460 /nfs/dbraw/zinc/34/54/60/487345460.db2.gz WDRBNVMJIBIQSU-SDDRHHMPSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[C@H](C)CNC[C@@H](C)[NH2+]CC 666877261 487345629 /nfs/dbraw/zinc/34/56/29/487345629.db2.gz YJZPVGYUSBLBFK-WDEREUQCSA-N 1 3 186.343 2.010 10 0 AEAEHO C[NH2+][C@H](C)CNC1C[C@@H](C)C[C@H](C)C1 666897000 487346340 /nfs/dbraw/zinc/34/63/40/487346340.db2.gz CJCXMCMJPMPPHB-GARJFASQSA-N 1 3 198.354 2.009 10 0 AEAEHO C[NH2+][C@@H](C)CN[C@@H]1C[C@@H](C)C[C@@H](C)C1 666897004 487346390 /nfs/dbraw/zinc/34/63/90/487346390.db2.gz CJCXMCMJPMPPHB-WHOHXGKFSA-N 1 3 198.354 2.009 10 0 AEAEHO C[NH2+][C@H](C)CNC1C[C@H](C)C[C@@H](C)C1 666897002 487346535 /nfs/dbraw/zinc/34/65/35/487346535.db2.gz CJCXMCMJPMPPHB-GMTAPVOTSA-N 1 3 198.354 2.009 10 0 AEAEHO C[NH2+][C@H](C)CN[C@@H]1C[C@@H](C)C[C@@H](C)C1 666897003 487346567 /nfs/dbraw/zinc/34/65/67/487346567.db2.gz CJCXMCMJPMPPHB-KXNHARMFSA-N 1 3 198.354 2.009 10 0 AEAEHO CCCC[C@H](C)N[C@H]1CCCC[NH2+]C1 666993020 487351910 /nfs/dbraw/zinc/35/19/10/487351910.db2.gz WUGRMAOEACWNMA-RYUDHWBXSA-N 1 3 198.354 2.297 10 0 AEAEHO CCC[C@H](CC)N[C@@H]1CCCC[NH2+]C1 666992911 487351934 /nfs/dbraw/zinc/35/19/34/487351934.db2.gz DHOFQYJUNFZPLX-NWDGAFQWSA-N 1 3 198.354 2.297 10 0 AEAEHO CC(C)(C)CCN[C@@H]1CCCC[NH2+]C1 666992990 487351979 /nfs/dbraw/zinc/35/19/79/487351979.db2.gz RTEPQEIFDYIEKG-LLVKDONJSA-N 1 3 198.354 2.154 10 0 AEAEHO CC(C)CCCN[C@H]1CCCC[NH2+]C1 666992989 487351984 /nfs/dbraw/zinc/35/19/84/487351984.db2.gz QGBSQBZYRMWYPQ-LBPRGKRZSA-N 1 3 198.354 2.154 10 0 AEAEHO CCCC[C@@H](C)N[C@@H]1CCCC[NH2+]C1 666993021 487352017 /nfs/dbraw/zinc/35/20/17/487352017.db2.gz WUGRMAOEACWNMA-VXGBXAGGSA-N 1 3 198.354 2.297 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@H]1CCNC1(C)C 666966035 487352034 /nfs/dbraw/zinc/35/20/34/487352034.db2.gz ADOGAYUSLHUFLF-QWRGUYRKSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[C@@H](C)CN1CC[C@H]([NH3+])[C@@H]1C 666983183 487352090 /nfs/dbraw/zinc/35/20/90/487352090.db2.gz ZDNNJWKVCYVEIJ-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC[C@@H](CC)N[C@H]1CCCC[NH2+]C1 666992910 487352100 /nfs/dbraw/zinc/35/21/00/487352100.db2.gz DHOFQYJUNFZPLX-NEPJUHHUSA-N 1 3 198.354 2.297 10 0 AEAEHO CCC[C@@H](C)CN[C@@H]1CCCC[NH2+]C1 666992477 487352111 /nfs/dbraw/zinc/35/21/11/487352111.db2.gz AUDFCNLVBFSVAJ-VXGBXAGGSA-N 1 3 198.354 2.154 10 0 AEAEHO CC(C)(C)CCN[C@H]1CCCC[NH2+]C1 666992991 487352122 /nfs/dbraw/zinc/35/21/22/487352122.db2.gz RTEPQEIFDYIEKG-NSHDSACASA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[C@@H](C)C[NH2+][C@H]1CCNC1(C)C 666966034 487352127 /nfs/dbraw/zinc/35/21/27/487352127.db2.gz ADOGAYUSLHUFLF-MNOVXSKESA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](C)CN[C@H]1CCCC[NH2+]C1 666992476 487352160 /nfs/dbraw/zinc/35/21/60/487352160.db2.gz AUDFCNLVBFSVAJ-RYUDHWBXSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC(CC)CN[C@@H]1CCCC[NH2+]C1 666992490 487352172 /nfs/dbraw/zinc/35/21/72/487352172.db2.gz GGMXIUBUEDREQE-GFCCVEGCSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[C@@H](C)C[NH2+][C@@H]1CCNC1(C)C 666966033 487352180 /nfs/dbraw/zinc/35/21/80/487352180.db2.gz ADOGAYUSLHUFLF-GHMZBOCLSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)CCCN[C@@H]1CCCC[NH2+]C1 666992988 487352190 /nfs/dbraw/zinc/35/21/90/487352190.db2.gz QGBSQBZYRMWYPQ-GFCCVEGCSA-N 1 3 198.354 2.154 10 0 AEAEHO CCCC[C@H](C)N[C@@H]1CCCC[NH2+]C1 666993019 487352238 /nfs/dbraw/zinc/35/22/38/487352238.db2.gz WUGRMAOEACWNMA-NWDGAFQWSA-N 1 3 198.354 2.297 10 0 AEAEHO CCC[C@H](CC)N[C@H]1CCCC[NH2+]C1 666992912 487352260 /nfs/dbraw/zinc/35/22/60/487352260.db2.gz DHOFQYJUNFZPLX-RYUDHWBXSA-N 1 3 198.354 2.297 10 0 AEAEHO CCCC[C@@H](C)N[C@H]1CCCC[NH2+]C1 666993018 487352503 /nfs/dbraw/zinc/35/25/03/487352503.db2.gz WUGRMAOEACWNMA-NEPJUHHUSA-N 1 3 198.354 2.297 10 0 AEAEHO CCC[C@@H](C)CN[C@H]1CCCC[NH2+]C1 666992474 487352549 /nfs/dbraw/zinc/35/25/49/487352549.db2.gz AUDFCNLVBFSVAJ-NEPJUHHUSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@@H]1CCNC1(C)C 666966036 487352572 /nfs/dbraw/zinc/35/25/72/487352572.db2.gz ADOGAYUSLHUFLF-WDEREUQCSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](C)CN[C@@H]1CCCC[NH2+]C1 666992475 487352586 /nfs/dbraw/zinc/35/25/86/487352586.db2.gz AUDFCNLVBFSVAJ-NWDGAFQWSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[C@@H](CC)N[C@@H]1CCCC[NH2+]C1 666992913 487352606 /nfs/dbraw/zinc/35/26/06/487352606.db2.gz DHOFQYJUNFZPLX-VXGBXAGGSA-N 1 3 198.354 2.297 10 0 AEAEHO CCC(CC)CN[C@H]1CCCC[NH2+]C1 666992491 487352668 /nfs/dbraw/zinc/35/26/68/487352668.db2.gz GGMXIUBUEDREQE-LBPRGKRZSA-N 1 3 198.354 2.154 10 0 AEAEHO CC(C)[N@@H+]1CCC[C@]12CC[C@@H](C)NC2 757125295 582457517 /nfs/dbraw/zinc/45/75/17/582457517.db2.gz DJAIINUBSKGMAP-VXGBXAGGSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)[N@H+]1CCC[C@]12CC[C@@H](C)NC2 757125295 582457519 /nfs/dbraw/zinc/45/75/19/582457519.db2.gz DJAIINUBSKGMAP-VXGBXAGGSA-N 1 3 196.338 2.001 10 0 AEAEHO CCCCN1CCC[C@@]12CCC[NH2+]C2 757126588 582457543 /nfs/dbraw/zinc/45/75/43/582457543.db2.gz GEWYUIXWFSIYIV-GFCCVEGCSA-N 1 3 196.338 2.005 10 0 AEAEHO CCCC[N@@H+]1CCC[C@@]12CCCNC2 757126588 582457546 /nfs/dbraw/zinc/45/75/46/582457546.db2.gz GEWYUIXWFSIYIV-GFCCVEGCSA-N 1 3 196.338 2.005 10 0 AEAEHO CCCC[N@H+]1CCC[C@@]12CCCNC2 757126588 582457549 /nfs/dbraw/zinc/45/75/49/582457549.db2.gz GEWYUIXWFSIYIV-GFCCVEGCSA-N 1 3 196.338 2.005 10 0 AEAEHO CC(C)[N@@H+]1CCC[C@@]12CC[C@@H](C)NC2 757125276 582457604 /nfs/dbraw/zinc/45/76/04/582457604.db2.gz DJAIINUBSKGMAP-NEPJUHHUSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)[N@H+]1CCC[C@@]12CC[C@@H](C)NC2 757125276 582457605 /nfs/dbraw/zinc/45/76/05/582457605.db2.gz DJAIINUBSKGMAP-NEPJUHHUSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)[N@@H+]1CCC[C@]12CCCN[C@@H]2C 757124012 582457620 /nfs/dbraw/zinc/45/76/20/582457620.db2.gz BFLCZOOAYSDZCI-NEPJUHHUSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)[N@H+]1CCC[C@]12CCCN[C@@H]2C 757124012 582457621 /nfs/dbraw/zinc/45/76/21/582457621.db2.gz BFLCZOOAYSDZCI-NEPJUHHUSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)N1CCC[C@]12CCC[NH2+][C@@H]2C 757124012 582457622 /nfs/dbraw/zinc/45/76/22/582457622.db2.gz BFLCZOOAYSDZCI-NEPJUHHUSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)[N@@H+]1CCC[C@]12CC[C@H](C)NC2 757125279 582457642 /nfs/dbraw/zinc/45/76/42/582457642.db2.gz DJAIINUBSKGMAP-NWDGAFQWSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)[N@H+]1CCC[C@]12CC[C@H](C)NC2 757125279 582457644 /nfs/dbraw/zinc/45/76/44/582457644.db2.gz DJAIINUBSKGMAP-NWDGAFQWSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC[N@@H+]1CCC[C@@]12CC[C@H](C)NC2 757126453 582457656 /nfs/dbraw/zinc/45/76/56/582457656.db2.gz FTKXGVKFPLQHEN-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@H+]1CCC[C@@]12CC[C@H](C)NC2 757126453 582457657 /nfs/dbraw/zinc/45/76/57/582457657.db2.gz FTKXGVKFPLQHEN-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@@H+]1CCC[C@]12CC[C@@H](C)NC2 757126456 582457675 /nfs/dbraw/zinc/45/76/75/582457675.db2.gz FTKXGVKFPLQHEN-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@H+]1CCC[C@]12CC[C@@H](C)NC2 757126456 582457676 /nfs/dbraw/zinc/45/76/76/582457676.db2.gz FTKXGVKFPLQHEN-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CCCCN1CCC[C@]12CCC[NH2+]C2 757126593 582457756 /nfs/dbraw/zinc/45/77/56/582457756.db2.gz GEWYUIXWFSIYIV-LBPRGKRZSA-N 1 3 196.338 2.005 10 0 AEAEHO CCCC[N@@H+]1CCC[C@]12CCCNC2 757126593 582457759 /nfs/dbraw/zinc/45/77/59/582457759.db2.gz GEWYUIXWFSIYIV-LBPRGKRZSA-N 1 3 196.338 2.005 10 0 AEAEHO CCCC[N@H+]1CCC[C@]12CCCNC2 757126593 582457761 /nfs/dbraw/zinc/45/77/61/582457761.db2.gz GEWYUIXWFSIYIV-LBPRGKRZSA-N 1 3 196.338 2.005 10 0 AEAEHO CC(C)[N@@H+]1CCC[C@@]12CCCN[C@@H]2C 757124025 582457806 /nfs/dbraw/zinc/45/78/06/582457806.db2.gz BFLCZOOAYSDZCI-VXGBXAGGSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)[N@H+]1CCC[C@@]12CCCN[C@@H]2C 757124025 582457808 /nfs/dbraw/zinc/45/78/08/582457808.db2.gz BFLCZOOAYSDZCI-VXGBXAGGSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)N1CCC[C@@]12CCC[NH2+][C@@H]2C 757124025 582457810 /nfs/dbraw/zinc/45/78/10/582457810.db2.gz BFLCZOOAYSDZCI-VXGBXAGGSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC[N@@H+]1CCC[C@@]12CC[C@@H](C)NC2 757126450 582457848 /nfs/dbraw/zinc/45/78/48/582457848.db2.gz FTKXGVKFPLQHEN-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@H+]1CCC[C@@]12CC[C@@H](C)NC2 757126450 582457849 /nfs/dbraw/zinc/45/78/49/582457849.db2.gz FTKXGVKFPLQHEN-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)[N@@H+]1CCC[C@@]12CC[C@H](C)NC2 757125291 582457935 /nfs/dbraw/zinc/45/79/35/582457935.db2.gz DJAIINUBSKGMAP-RYUDHWBXSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)[N@H+]1CCC[C@@]12CC[C@H](C)NC2 757125291 582457936 /nfs/dbraw/zinc/45/79/36/582457936.db2.gz DJAIINUBSKGMAP-RYUDHWBXSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)[N@@H+]1CCC[C@]12CCCN[C@H]2C 757124020 582457943 /nfs/dbraw/zinc/45/79/43/582457943.db2.gz BFLCZOOAYSDZCI-RYUDHWBXSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)[N@H+]1CCC[C@]12CCCN[C@H]2C 757124020 582457945 /nfs/dbraw/zinc/45/79/45/582457945.db2.gz BFLCZOOAYSDZCI-RYUDHWBXSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)N1CCC[C@]12CCC[NH2+][C@H]2C 757124020 582457947 /nfs/dbraw/zinc/45/79/47/582457947.db2.gz BFLCZOOAYSDZCI-RYUDHWBXSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)[N@@H+]1CCC[C@@]12CCCN[C@H]2C 757124013 582457990 /nfs/dbraw/zinc/45/79/90/582457990.db2.gz BFLCZOOAYSDZCI-NWDGAFQWSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)[N@H+]1CCC[C@@]12CCCN[C@H]2C 757124013 582457991 /nfs/dbraw/zinc/45/79/91/582457991.db2.gz BFLCZOOAYSDZCI-NWDGAFQWSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)N1CCC[C@@]12CCC[NH2+][C@H]2C 757124013 582457992 /nfs/dbraw/zinc/45/79/92/582457992.db2.gz BFLCZOOAYSDZCI-NWDGAFQWSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC[N@@H+]1CCC[C@]12CC[C@H](C)NC2 757126451 582458001 /nfs/dbraw/zinc/45/80/01/582458001.db2.gz FTKXGVKFPLQHEN-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@H+]1CCC[C@]12CC[C@H](C)NC2 757126451 582458002 /nfs/dbraw/zinc/45/80/02/582458002.db2.gz FTKXGVKFPLQHEN-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H](C)[N@@H+]1CCCC12CCNCC2 757131165 582458253 /nfs/dbraw/zinc/45/82/53/582458253.db2.gz PNNKSUZOISDIQR-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H](C)[N@H+]1CCCC12CCNCC2 757131165 582458255 /nfs/dbraw/zinc/45/82/55/582458255.db2.gz PNNKSUZOISDIQR-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H](C)[N@@H+]1CCCC12CCNCC2 757131162 582458519 /nfs/dbraw/zinc/45/85/19/582458519.db2.gz PNNKSUZOISDIQR-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H](C)[N@H+]1CCCC12CCNCC2 757131162 582458521 /nfs/dbraw/zinc/45/85/21/582458521.db2.gz PNNKSUZOISDIQR-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCCC[N@@H+]1CCCC12CCNCC2 757129485 582458742 /nfs/dbraw/zinc/45/87/42/582458742.db2.gz LRSUFCLJDCFFGT-UHFFFAOYSA-N 1 3 196.338 2.005 10 0 AEAEHO CCCC[N@H+]1CCCC12CCNCC2 757129485 582458745 /nfs/dbraw/zinc/45/87/45/582458745.db2.gz LRSUFCLJDCFFGT-UHFFFAOYSA-N 1 3 196.338 2.005 10 0 AEAEHO CCC[N@@H+]1CCC[C@]12CCCN[C@@H]2C 757135394 582458877 /nfs/dbraw/zinc/45/88/77/582458877.db2.gz ZUGLDBDRVIWPJT-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@H+]1CCC[C@]12CCCN[C@@H]2C 757135394 582458879 /nfs/dbraw/zinc/45/88/79/582458879.db2.gz ZUGLDBDRVIWPJT-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CCCN1CCC[C@]12CCC[NH2+][C@@H]2C 757135394 582458880 /nfs/dbraw/zinc/45/88/80/582458880.db2.gz ZUGLDBDRVIWPJT-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@@H+]1CCC[C@@]12CCCN[C@H]2C 757135408 582458919 /nfs/dbraw/zinc/45/89/19/582458919.db2.gz ZUGLDBDRVIWPJT-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@H+]1CCC[C@@]12CCCN[C@H]2C 757135408 582458922 /nfs/dbraw/zinc/45/89/22/582458922.db2.gz ZUGLDBDRVIWPJT-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CCCN1CCC[C@@]12CCC[NH2+][C@H]2C 757135408 582458925 /nfs/dbraw/zinc/45/89/25/582458925.db2.gz ZUGLDBDRVIWPJT-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H](C)[N@@H+]1CCC[C@@]12CCCNC2 757134155 582459077 /nfs/dbraw/zinc/45/90/77/582459077.db2.gz WLJSCPZYMWGFDD-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H](C)[N@H+]1CCC[C@@]12CCCNC2 757134155 582459078 /nfs/dbraw/zinc/45/90/78/582459078.db2.gz WLJSCPZYMWGFDD-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H](C)N1CCC[C@@]12CCC[NH2+]C2 757134155 582459079 /nfs/dbraw/zinc/45/90/79/582459079.db2.gz WLJSCPZYMWGFDD-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@@H+]1CCC[C@@]12CCCN[C@@H]2C 757135446 582459271 /nfs/dbraw/zinc/45/92/71/582459271.db2.gz ZUGLDBDRVIWPJT-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@H+]1CCC[C@@]12CCCN[C@@H]2C 757135446 582459273 /nfs/dbraw/zinc/45/92/73/582459273.db2.gz ZUGLDBDRVIWPJT-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CCCN1CCC[C@@]12CCC[NH2+][C@@H]2C 757135446 582459275 /nfs/dbraw/zinc/45/92/75/582459275.db2.gz ZUGLDBDRVIWPJT-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H](C)[N@@H+]1CCC[C@@]12CCCNC2 757134165 582459282 /nfs/dbraw/zinc/45/92/82/582459282.db2.gz WLJSCPZYMWGFDD-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H](C)[N@H+]1CCC[C@@]12CCCNC2 757134165 582459284 /nfs/dbraw/zinc/45/92/84/582459284.db2.gz WLJSCPZYMWGFDD-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H](C)N1CCC[C@@]12CCC[NH2+]C2 757134165 582459285 /nfs/dbraw/zinc/45/92/85/582459285.db2.gz WLJSCPZYMWGFDD-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H](C)[N@@H+]1CCC[C@]12CCCNC2 757134136 582459411 /nfs/dbraw/zinc/45/94/11/582459411.db2.gz WLJSCPZYMWGFDD-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H](C)[N@H+]1CCC[C@]12CCCNC2 757134136 582459413 /nfs/dbraw/zinc/45/94/13/582459413.db2.gz WLJSCPZYMWGFDD-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H](C)N1CCC[C@]12CCC[NH2+]C2 757134136 582459414 /nfs/dbraw/zinc/45/94/14/582459414.db2.gz WLJSCPZYMWGFDD-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@@H+]1CCC[C@]12CCCN[C@H]2C 757135429 582459427 /nfs/dbraw/zinc/45/94/27/582459427.db2.gz ZUGLDBDRVIWPJT-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[N@H+]1CCC[C@]12CCCN[C@H]2C 757135429 582459428 /nfs/dbraw/zinc/45/94/28/582459428.db2.gz ZUGLDBDRVIWPJT-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CCCN1CCC[C@]12CCC[NH2+][C@H]2C 757135429 582459429 /nfs/dbraw/zinc/45/94/29/582459429.db2.gz ZUGLDBDRVIWPJT-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H](C)[N@@H+]1CCC[C@]12CCCNC2 757134161 582459555 /nfs/dbraw/zinc/45/95/55/582459555.db2.gz WLJSCPZYMWGFDD-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H](C)[N@H+]1CCC[C@]12CCCNC2 757134161 582459557 /nfs/dbraw/zinc/45/95/57/582459557.db2.gz WLJSCPZYMWGFDD-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H](C)N1CCC[C@]12CCC[NH2+]C2 757134161 582459559 /nfs/dbraw/zinc/45/95/59/582459559.db2.gz WLJSCPZYMWGFDD-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)[C@H](N)CC[NH2+][C@@H]1CC[C@@H](C)C1 228978715 582514510 /nfs/dbraw/zinc/51/45/10/582514510.db2.gz QBLZGCGBHAOTIP-IJLUTSLNSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)[C@H](N)CC[NH2+][C@H]1CC[C@@H](C)C1 228978727 582514668 /nfs/dbraw/zinc/51/46/68/582514668.db2.gz QBLZGCGBHAOTIP-GRYCIOLGSA-N 1 3 198.354 2.138 10 0 AEAEHO C[C@@H](N)CC[NH2+]C1CCCCCCC1 841035663 582548856 /nfs/dbraw/zinc/54/88/56/582548856.db2.gz LQBMSTNUTJHZJG-LLVKDONJSA-N 1 3 198.354 2.426 10 0 AEAEHO CCCCC[NH2+][C@H]1CCNC12CCC2 903465433 582625732 /nfs/dbraw/zinc/62/57/32/582625732.db2.gz ISLHCEJMFDJZMR-NSHDSACASA-N 1 3 196.338 2.051 10 0 AEAEHO CCCCC[NH2+][C@@H]1CCNC12CCC2 903465431 582625975 /nfs/dbraw/zinc/62/59/75/582625975.db2.gz ISLHCEJMFDJZMR-LLVKDONJSA-N 1 3 196.338 2.051 10 0 AEAEHO CCC[C@H](C)C[NH2+]CCC(C)(C)N 903939199 582629603 /nfs/dbraw/zinc/62/96/03/582629603.db2.gz UZWMZPSDWWEVAZ-JTQLQIEISA-N 1 3 186.343 2.140 10 0 AEAEHO CCC[C@@H](C)C[NH2+]CCC(C)(C)N 903939200 582630289 /nfs/dbraw/zinc/63/02/89/582630289.db2.gz UZWMZPSDWWEVAZ-SNVBAGLBSA-N 1 3 186.343 2.140 10 0 AEAEHO CCCC[C@H](CC)[NH2+][C@@H]1CNC[C@H]1C 903963528 582630538 /nfs/dbraw/zinc/63/05/38/582630538.db2.gz ANOCVUPAQBZWQO-GRYCIOLGSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCC[C@@H](CC)[NH2+][C@@H]1CNC[C@H]1C 903963530 582630745 /nfs/dbraw/zinc/63/07/45/582630745.db2.gz ANOCVUPAQBZWQO-IJLUTSLNSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCCC[C@H](C)[NH2+][C@@H]1CNC[C@H]1C 903964605 582630780 /nfs/dbraw/zinc/63/07/80/582630780.db2.gz RLPBWZBWKQBKRA-GRYCIOLGSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)CC[C@@H](C)[NH2+][C@@H]1CNC[C@H]1C 903963567 582630823 /nfs/dbraw/zinc/63/08/23/582630823.db2.gz BCBXVJVXCBLLGK-IJLUTSLNSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)CC[C@H](C)[NH2+][C@@H]1CNC[C@H]1C 903963566 582631018 /nfs/dbraw/zinc/63/10/18/582631018.db2.gz BCBXVJVXCBLLGK-GRYCIOLGSA-N 1 3 198.354 2.009 10 0 AEAEHO CCCCC[C@@H](C)[NH2+][C@@H]1CNC[C@H]1C 903964606 582631186 /nfs/dbraw/zinc/63/11/86/582631186.db2.gz RLPBWZBWKQBKRA-IJLUTSLNSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCC(CCC)[NH2+][C@@H]1CNC[C@H]1C 903964131 582631225 /nfs/dbraw/zinc/63/12/25/582631225.db2.gz MSBLKLUXLRYPNI-ZYHUDNBSSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@@H](C)C[NH2+][C@H]1CNCC1(C)C 904461891 582637926 /nfs/dbraw/zinc/63/79/26/582637926.db2.gz LCARSVQTKRDJKP-MNOVXSKESA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[C@@H](C)C[NH2+][C@@H]1CNCC1(C)C 904461890 582638228 /nfs/dbraw/zinc/63/82/28/582638228.db2.gz LCARSVQTKRDJKP-GHMZBOCLSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@H]1CNCC1(C)C 904461892 582638257 /nfs/dbraw/zinc/63/82/57/582638257.db2.gz LCARSVQTKRDJKP-QWRGUYRKSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@@H]1CNCC1(C)C 904461893 582638738 /nfs/dbraw/zinc/63/87/38/582638738.db2.gz LCARSVQTKRDJKP-WDEREUQCSA-N 1 3 198.354 2.010 10 0 AEAEHO CC[N@H+](CC(C)C)[C@H]1CCN[C@@H](C)C1 229541454 582705995 /nfs/dbraw/zinc/70/59/95/582705995.db2.gz ZCRKHPCZLAXKOD-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@@H+](CC(C)C)[C@H]1CCN[C@@H](C)C1 229541454 582705998 /nfs/dbraw/zinc/70/59/98/582705998.db2.gz ZCRKHPCZLAXKOD-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@H+](CC(C)C)[C@@H]1CCN[C@@H](C)C1 229541445 582706171 /nfs/dbraw/zinc/70/61/71/582706171.db2.gz ZCRKHPCZLAXKOD-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@@H+](CC(C)C)[C@@H]1CCN[C@@H](C)C1 229541445 582706174 /nfs/dbraw/zinc/70/61/74/582706174.db2.gz ZCRKHPCZLAXKOD-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC[NH+](CCC)[C@@H]1CCN[C@H](C)C1 229540639 582706563 /nfs/dbraw/zinc/70/65/63/582706563.db2.gz WUWDHUFCZPIQCS-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH+](CCC)[C@@H]1CCN[C@@H](C)C1 229540620 582706707 /nfs/dbraw/zinc/70/67/07/582706707.db2.gz WUWDHUFCZPIQCS-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH+](CCC)[C@H]1CCN[C@H](C)C1 229540648 582706808 /nfs/dbraw/zinc/70/68/08/582706808.db2.gz WUWDHUFCZPIQCS-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[C@@H]1[NH2+][C@H](C)C[C@@H](C)[C@@H]1CN 757214030 582951857 /nfs/dbraw/zinc/95/18/57/582951857.db2.gz KVMIGYCRSVIJBG-WYUUTHIRSA-N 1 3 198.354 2.138 10 0 AEAEHO CCCC[C@@H]1[NH2+][C@H](C)C[C@H](C)[C@@H]1CN 757214029 582951966 /nfs/dbraw/zinc/95/19/66/582951966.db2.gz KVMIGYCRSVIJBG-USZNOCQGSA-N 1 3 198.354 2.138 10 0 AEAEHO CCCC[C@@H]1[NH2+][C@H](C)C[C@H](C)[C@H]1CN 757214025 582952035 /nfs/dbraw/zinc/95/20/35/582952035.db2.gz KVMIGYCRSVIJBG-QCNOEVLYSA-N 1 3 198.354 2.138 10 0 AEAEHO CCCC[C@@H]1[NH2+][C@H](C)C[C@@H](C)[C@H]1CN 757214002 582952340 /nfs/dbraw/zinc/95/23/40/582952340.db2.gz KVMIGYCRSVIJBG-KKOKHZNYSA-N 1 3 198.354 2.138 10 0 AEAEHO CCNCCC[NH2+][C@@H]1CC[C@H]1C(C)C 817943188 582999748 /nfs/dbraw/zinc/99/97/48/582999748.db2.gz KURJAYQOKNRLHY-NWDGAFQWSA-N 1 3 198.354 2.010 10 0 AEAEHO CC[NH2+]CCCN[C@@H]1CC[C@H]1C(C)C 817943188 582999752 /nfs/dbraw/zinc/99/97/52/582999752.db2.gz KURJAYQOKNRLHY-NWDGAFQWSA-N 1 3 198.354 2.010 10 0 AEAEHO CCNCCC[NH2+][C@@H]1CC[C@@H]1C(C)C 817943190 582999774 /nfs/dbraw/zinc/99/97/74/582999774.db2.gz KURJAYQOKNRLHY-VXGBXAGGSA-N 1 3 198.354 2.010 10 0 AEAEHO CC[NH2+]CCCN[C@@H]1CC[C@@H]1C(C)C 817943190 582999777 /nfs/dbraw/zinc/99/97/77/582999777.db2.gz KURJAYQOKNRLHY-VXGBXAGGSA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@@H](N)CC[NH2+][C@H](C)CC(C)(C)C 817951285 583000316 /nfs/dbraw/zinc/00/03/16/583000316.db2.gz CPOPZKFUYHGUCP-NXEZZACHSA-N 1 3 186.343 2.138 10 0 AEAEHO CCNCCC[NH2+][C@H]1CC[C@@H]1C(C)C 817943187 583000410 /nfs/dbraw/zinc/00/04/10/583000410.db2.gz KURJAYQOKNRLHY-NEPJUHHUSA-N 1 3 198.354 2.010 10 0 AEAEHO CC[NH2+]CCCN[C@H]1CC[C@@H]1C(C)C 817943187 583000414 /nfs/dbraw/zinc/00/04/14/583000414.db2.gz KURJAYQOKNRLHY-NEPJUHHUSA-N 1 3 198.354 2.010 10 0 AEAEHO CCNCCC[NH2+][C@H]1CC[C@H]1C(C)C 817943189 583000586 /nfs/dbraw/zinc/00/05/86/583000586.db2.gz KURJAYQOKNRLHY-RYUDHWBXSA-N 1 3 198.354 2.010 10 0 AEAEHO CC[NH2+]CCCN[C@H]1CC[C@H]1C(C)C 817943189 583000589 /nfs/dbraw/zinc/00/05/89/583000589.db2.gz KURJAYQOKNRLHY-RYUDHWBXSA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@@H](CC(C)(C)C)[NH2+]CC[C@@H](C)N 817951289 583000670 /nfs/dbraw/zinc/00/06/70/583000670.db2.gz CPOPZKFUYHGUCP-ZJUUUORDSA-N 1 3 186.343 2.138 10 0 AEAEHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@H]1C(C)C 817973572 583001052 /nfs/dbraw/zinc/00/10/52/583001052.db2.gz VHUYBTQBVLNRSQ-GRYCIOLGSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@@H]1C(C)C 817973574 583001100 /nfs/dbraw/zinc/00/11/00/583001100.db2.gz VHUYBTQBVLNRSQ-IJLUTSLNSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[NH2+][C@H](C)CN[C@H]1CC[C@@H]1C(C)C 817973575 583001738 /nfs/dbraw/zinc/00/17/38/583001738.db2.gz VHUYBTQBVLNRSQ-UTUOFQBUSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[NH2+][C@H](C)CN[C@H]1CC[C@H]1C(C)C 817973577 583001799 /nfs/dbraw/zinc/00/17/99/583001799.db2.gz VHUYBTQBVLNRSQ-WOPDTQHZSA-N 1 3 198.354 2.009 10 0 AEAEHO CCC(CC)[NH2+][C@@H]1CCNC12CCC2 863482697 583310622 /nfs/dbraw/zinc/31/06/22/583310622.db2.gz KEGLSJZMKKOCJU-LLVKDONJSA-N 1 3 196.338 2.049 10 0 AEAEHO CCCCC[C@H](C)[NH2+][C@@H]1CCN[C@H]1C 863487699 583310631 /nfs/dbraw/zinc/31/06/31/583310631.db2.gz USVWLJRUJKQCKF-SDDRHHMPSA-N 1 3 198.354 2.295 10 0 AEAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H](C)CC(C)(C)C 863548435 583310664 /nfs/dbraw/zinc/31/06/64/583310664.db2.gz PTTKSQGSMQOVCD-OUAUKWLOSA-N 1 3 198.354 2.151 10 0 AEAEHO CCCCC[C@@H](C)[NH2+][C@@H]1CCN[C@H]1C 863487698 583311022 /nfs/dbraw/zinc/31/10/22/583311022.db2.gz USVWLJRUJKQCKF-GRYCIOLGSA-N 1 3 198.354 2.295 10 0 AEAEHO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCN[C@H]1C 863548434 583311029 /nfs/dbraw/zinc/31/10/29/583311029.db2.gz PTTKSQGSMQOVCD-GARJFASQSA-N 1 3 198.354 2.151 10 0 AEAEHO CCC(CC)[NH2+][C@H]1CCNC12CCC2 863482725 583311364 /nfs/dbraw/zinc/31/13/64/583311364.db2.gz KEGLSJZMKKOCJU-NSHDSACASA-N 1 3 196.338 2.049 10 0 AEAEHO CC1(C)CCC(C)([NH2+]CCCN)CC1 863648827 583312190 /nfs/dbraw/zinc/31/21/90/583312190.db2.gz KHUFZDFNIPJIOY-UHFFFAOYSA-N 1 3 198.354 2.284 10 0 AEAEHO CC[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 122593128 583341974 /nfs/dbraw/zinc/34/19/74/583341974.db2.gz FNSBBYQPFWCRPB-SRVKXCTJSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 122592742 583342352 /nfs/dbraw/zinc/34/23/52/583342352.db2.gz FNSBBYQPFWCRPB-TUAOUCFPSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H]([NH2+]CCCN)C1CCCCC1 135301081 583482172 /nfs/dbraw/zinc/48/21/72/583482172.db2.gz WHRLSMFNDGQKQI-GFCCVEGCSA-N 1 3 198.354 2.284 10 0 AEAEHO CC[C@H]([NH2+]CCCN)C1CCCCC1 135301060 583482362 /nfs/dbraw/zinc/48/23/62/583482362.db2.gz WHRLSMFNDGQKQI-LBPRGKRZSA-N 1 3 198.354 2.284 10 0 AEAEHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CC)C1 76453473 490023305 /nfs/dbraw/zinc/02/33/05/490023305.db2.gz CQAGQJNTVZOOMZ-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCN1CC[C@H](C[NH2+][C@@H](C)CC)C1 76453472 490023507 /nfs/dbraw/zinc/02/35/07/490023507.db2.gz CQAGQJNTVZOOMZ-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCC(C)(C)[NH2+]C[C@H]1CCCNC1 126067997 490036174 /nfs/dbraw/zinc/03/61/74/490036174.db2.gz BDYIBPGLLKOZCB-NSHDSACASA-N 1 3 198.354 2.154 10 0 AEAEHO CCCC(C)(C)[NH2+]C[C@@H]1CCCNC1 126067788 490036320 /nfs/dbraw/zinc/03/63/20/490036320.db2.gz BDYIBPGLLKOZCB-LLVKDONJSA-N 1 3 198.354 2.154 10 0 AEAEHO CC(C)[C@H](N)CC[NH2+]C1CCCCC1 129218913 490049419 /nfs/dbraw/zinc/04/94/19/490049419.db2.gz VQVICBKZTCHUCF-GFCCVEGCSA-N 1 3 198.354 2.282 10 0 AEAEHO C[N@H+](CCCN)CCC(C)(C)C1CC1 405746551 490149999 /nfs/dbraw/zinc/14/99/99/490149999.db2.gz QPNGEVYVJLZXQG-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO C[N@@H+](CCCN)CCC(C)(C)C1CC1 405746551 490150006 /nfs/dbraw/zinc/15/00/06/490150006.db2.gz QPNGEVYVJLZXQG-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO CN(CCC[NH3+])CCC(C)(C)C1CC1 405746551 490150011 /nfs/dbraw/zinc/15/00/11/490150011.db2.gz QPNGEVYVJLZXQG-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)C[C@@H](C)[NH2+]C[C@H]1CCCNC1 87646358 491031562 /nfs/dbraw/zinc/03/15/62/491031562.db2.gz VIOIXBCJGKTKRE-NEPJUHHUSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)C[C@H](C)[NH2+]C[C@H]1CCCNC1 87646360 491031655 /nfs/dbraw/zinc/03/16/55/491031655.db2.gz VIOIXBCJGKTKRE-RYUDHWBXSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)C[C@@H](C)[NH2+]C[C@@H]1CCCNC1 87646354 491031663 /nfs/dbraw/zinc/03/16/63/491031663.db2.gz VIOIXBCJGKTKRE-VXGBXAGGSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)C[C@H](C)[NH2+]C[C@@H]1CCCNC1 87646356 491031668 /nfs/dbraw/zinc/03/16/68/491031668.db2.gz VIOIXBCJGKTKRE-NWDGAFQWSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1CC[C@@H](N)C[C@@H]1C 227700391 491043786 /nfs/dbraw/zinc/04/37/86/491043786.db2.gz VAPFQLIVRMPJML-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](C)C[N@H+]1CC[C@@H](N)C[C@@H]1C 227700391 491043787 /nfs/dbraw/zinc/04/37/87/491043787.db2.gz VAPFQLIVRMPJML-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC[C@H](C)CN1CC[C@@H]([NH3+])C[C@@H]1C 227700391 491043788 /nfs/dbraw/zinc/04/37/88/491043788.db2.gz VAPFQLIVRMPJML-SDDRHHMPSA-N 1 3 198.354 2.234 10 0 AEAEHO N[C@@H]1CCC[N@@H+](C2CCCCC2)CC1 75123531 1188774200 /nfs/dbraw/zinc/77/42/00/1188774200.db2.gz FQEUXPWYOUIIKZ-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO N[C@@H]1CCC[N@H+](C2CCCCC2)CC1 75123531 1188774204 /nfs/dbraw/zinc/77/42/04/1188774204.db2.gz FQEUXPWYOUIIKZ-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO N[C@H]1CCC[N@@H+](C2CCCCC2)CC1 75123525 1188775437 /nfs/dbraw/zinc/77/54/37/1188775437.db2.gz FQEUXPWYOUIIKZ-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO N[C@H]1CCC[N@H+](C2CCCCC2)CC1 75123525 1188775440 /nfs/dbraw/zinc/77/54/40/1188775440.db2.gz FQEUXPWYOUIIKZ-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO CCCC[C@@H](CC)[N@@H+]1CC[C@@H](NC)C1 227665859 1188789240 /nfs/dbraw/zinc/78/92/40/1188789240.db2.gz BCOUEVSGLUZVJH-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[C@@H](CC)[N@H+]1CC[C@@H](NC)C1 227665859 1188789242 /nfs/dbraw/zinc/78/92/42/1188789242.db2.gz BCOUEVSGLUZVJH-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[C@H](CC)[N@@H+]1CC[C@@H](NC)C1 227665862 1188789302 /nfs/dbraw/zinc/78/93/02/1188789302.db2.gz BCOUEVSGLUZVJH-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[C@H](CC)[N@H+]1CC[C@@H](NC)C1 227665862 1188789304 /nfs/dbraw/zinc/78/93/04/1188789304.db2.gz BCOUEVSGLUZVJH-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H](C)C[N@@H+]1CCCC[C@H](CN)C1 308659952 1188812524 /nfs/dbraw/zinc/81/25/24/1188812524.db2.gz PEPQUDQRYQOXIS-VXGBXAGGSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H](C)C[N@H+]1CCCC[C@H](CN)C1 308659952 1188812529 /nfs/dbraw/zinc/81/25/29/1188812529.db2.gz PEPQUDQRYQOXIS-VXGBXAGGSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](C)C[N@@H+]1CCCC[C@H](CN)C1 308659949 1188812548 /nfs/dbraw/zinc/81/25/48/1188812548.db2.gz PEPQUDQRYQOXIS-NWDGAFQWSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@H](C)C[N@H+]1CCCC[C@H](CN)C1 308659949 1188812550 /nfs/dbraw/zinc/81/25/50/1188812550.db2.gz PEPQUDQRYQOXIS-NWDGAFQWSA-N 1 3 198.354 2.093 10 0 AEAEHO CCCCC[C@@H](C)NC[C@@H](C)[NH2+]C 54077123 697621700 /nfs/dbraw/zinc/62/17/00/697621700.db2.gz AIXIRBCNTUOGIG-GHMZBOCLSA-N 1 3 186.343 2.153 10 0 AEAEHO CCCCC[C@@H](C)NC[C@H](C)[NH2+]C 54077125 697621707 /nfs/dbraw/zinc/62/17/07/697621707.db2.gz AIXIRBCNTUOGIG-MNOVXSKESA-N 1 3 186.343 2.153 10 0 AEAEHO CCCCC[C@H](C)NC[C@H](C)[NH2+]C 54077126 697621905 /nfs/dbraw/zinc/62/19/05/697621905.db2.gz AIXIRBCNTUOGIG-QWRGUYRKSA-N 1 3 186.343 2.153 10 0 AEAEHO CC1(C)CCC[N@@H+]1CCCNC1CC1 63066954 697624566 /nfs/dbraw/zinc/62/45/66/697624566.db2.gz NQVSQZPZPWDWGB-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CC1(C)CCC[N@H+]1CCCNC1CC1 63066954 697624569 /nfs/dbraw/zinc/62/45/69/697624569.db2.gz NQVSQZPZPWDWGB-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CNCC1(C)C 720781752 698067149 /nfs/dbraw/zinc/06/71/49/698067149.db2.gz SFPRYIUSSDZMQH-AXFHLTTASA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)C[C@@H](C)[NH2+][C@H]1CNCC1(C)C 720770367 698067179 /nfs/dbraw/zinc/06/71/79/698067179.db2.gz YBDUHXUPPPOBDZ-MNOVXSKESA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CNCC1(C)C 720781757 698067204 /nfs/dbraw/zinc/06/72/04/698067204.db2.gz SFPRYIUSSDZMQH-GARJFASQSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)C[C@H](C)[NH2+][C@@H]1CNCC1(C)C 720770369 698067315 /nfs/dbraw/zinc/06/73/15/698067315.db2.gz YBDUHXUPPPOBDZ-WDEREUQCSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@H](C)[C@H](C)[NH2+][C@H]1CNCC1(C)C 720781754 698067334 /nfs/dbraw/zinc/06/73/34/698067334.db2.gz SFPRYIUSSDZMQH-DCAQKATOSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)C[C@@H](C)[NH2+][C@@H]1CNCC1(C)C 720770366 698067351 /nfs/dbraw/zinc/06/73/51/698067351.db2.gz YBDUHXUPPPOBDZ-GHMZBOCLSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)C[C@H](C)[NH2+][C@H]1CNCC1(C)C 720770368 698067544 /nfs/dbraw/zinc/06/75/44/698067544.db2.gz YBDUHXUPPPOBDZ-QWRGUYRKSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CNCC1(C)C 720781759 698067820 /nfs/dbraw/zinc/06/78/20/698067820.db2.gz SFPRYIUSSDZMQH-HBNTYKKESA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)[N@H+](C)[C@@H]1C[C@H](C)CC[C@H]1CN 37157444 343161405 /nfs/dbraw/zinc/16/14/05/343161405.db2.gz YECHGDXLVNFDOU-GRYCIOLGSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[N@H+](C)[C@@H]1CCCCC[C@@H]1CN 37157448 343161736 /nfs/dbraw/zinc/16/17/36/343161736.db2.gz CECBRUSBUUFCJI-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@@H+](C)[C@@H]1CCCCC[C@@H]1CN 37157448 343161738 /nfs/dbraw/zinc/16/17/38/343161738.db2.gz CECBRUSBUUFCJI-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CCCN1CC1([NH3+])CCCCC1 37911193 343180085 /nfs/dbraw/zinc/18/00/85/343180085.db2.gz UCDVNUBIAPRTLS-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO C[C@H](N)[C@H]1CCC[N@H+](CC(C)(C)C)C1 69724593 343437595 /nfs/dbraw/zinc/43/75/95/343437595.db2.gz JERUHDMPSYTJJX-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H](N)[C@H]1CCC[N@@H+](CC(C)(C)C)C1 69724593 343437596 /nfs/dbraw/zinc/43/75/96/343437596.db2.gz JERUHDMPSYTJJX-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@H](C)[N@H+]1C[C@H](CN)CC[C@H]1C 69727966 343438419 /nfs/dbraw/zinc/43/84/19/343438419.db2.gz QCSPIDJKTVSRHY-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1CC(C)(C)C 69727697 343438556 /nfs/dbraw/zinc/43/85/56/343438556.db2.gz CRVBNUUMFHFCBZ-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H]1CC[C@H](CN)C[N@H+]1CC(C)(C)C 69727697 343438557 /nfs/dbraw/zinc/43/85/57/343438557.db2.gz CRVBNUUMFHFCBZ-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)=CCN1C[C@@H](C[NH3+])CC[C@H]1C 69729021 343438631 /nfs/dbraw/zinc/43/86/31/343438631.db2.gz QVGYBWMKKQEPTP-VXGBXAGGSA-N 1 3 196.338 2.012 10 0 AEAEHO CC(C)=CC[N@H+]1C[C@@H](CN)CC[C@H]1C 69729021 343438632 /nfs/dbraw/zinc/43/86/32/343438632.db2.gz QVGYBWMKKQEPTP-VXGBXAGGSA-N 1 3 196.338 2.012 10 0 AEAEHO CC(C)=CC[N@@H+]1C[C@@H](CN)CC[C@H]1C 69729021 343438633 /nfs/dbraw/zinc/43/86/33/343438633.db2.gz QVGYBWMKKQEPTP-VXGBXAGGSA-N 1 3 196.338 2.012 10 0 AEAEHO CC(C)[C@H](C)[N@@H+]1C[C@H](CN)CC[C@@H]1C 69727970 343438636 /nfs/dbraw/zinc/43/86/36/343438636.db2.gz QCSPIDJKTVSRHY-SRVKXCTJSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)[N@H+]1C[C@H](CN)CC[C@@H]1C 69727970 343438637 /nfs/dbraw/zinc/43/86/37/343438637.db2.gz QCSPIDJKTVSRHY-SRVKXCTJSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC(C)(C)[N@H+](C)[C@@H]1CCNC[C@@H]1C 70046263 343468849 /nfs/dbraw/zinc/46/88/49/343468849.db2.gz FKDGMXWNCALNRX-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(C)(C)[N@@H+](C)[C@@H]1CCNC[C@@H]1C 70046263 343468850 /nfs/dbraw/zinc/46/88/50/343468850.db2.gz FKDGMXWNCALNRX-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H]1CCC[C@@H]([N@H+](C)C2CCC2)C1 127310203 343809867 /nfs/dbraw/zinc/80/98/67/343809867.db2.gz PNENASZSXZKRFE-ZYHUDNBSSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@@H]1CCC[C@@H]([N@@H+](C)C2CCC2)C1 127310203 343809869 /nfs/dbraw/zinc/80/98/69/343809869.db2.gz PNENASZSXZKRFE-ZYHUDNBSSA-N 1 3 196.338 2.001 10 0 AEAEHO C1CCC([NH+]2CCCNCCC2)CC1 49665037 166087683 /nfs/dbraw/zinc/08/76/83/166087683.db2.gz XFGXOFHBWPIQRJ-UHFFFAOYSA-N 1 3 196.338 2.005 10 0 AEAEHO C1CCCN(CC[C@H]2CCC[NH2+]2)CC1 42171761 166089475 /nfs/dbraw/zinc/08/94/75/166089475.db2.gz RGLBXDNADYNQDM-GFCCVEGCSA-N 1 3 196.338 2.005 10 0 AEAEHO C1CCCN(CC[C@@H]2CCC[NH2+]2)CC1 42171759 166090346 /nfs/dbraw/zinc/09/03/46/166090346.db2.gz RGLBXDNADYNQDM-LBPRGKRZSA-N 1 3 196.338 2.005 10 0 AEAEHO CC(=[NH2+])Nc1cccc(CN(C)C)c1 13780426 166230431 /nfs/dbraw/zinc/23/04/31/166230431.db2.gz HBGZRHPAPXQHAY-UHFFFAOYSA-N 1 3 191.278 2.157 10 0 AEAEHO CC(=[NH2+])Nc1ccc(CN(C)C)cc1 26721886 166230943 /nfs/dbraw/zinc/23/09/43/166230943.db2.gz ODTCEPZXLJMZGB-UHFFFAOYSA-N 1 3 191.278 2.157 10 0 AEAEHO CC(C)(C)C1CCN(CCC[NH3+])CC1 50346039 166348591 /nfs/dbraw/zinc/34/85/91/166348591.db2.gz WFTGFHPHAOVWTB-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)(C)C1CC[NH+](CCCN)CC1 50346039 166348595 /nfs/dbraw/zinc/34/85/95/166348595.db2.gz WFTGFHPHAOVWTB-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)(C)CC[N@H+](CCCN)C1CC1 49254358 166350201 /nfs/dbraw/zinc/35/02/01/166350201.db2.gz ULBHREGSWNXXFT-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)(C)CC[N@@H+](CCCN)C1CC1 49254358 166350205 /nfs/dbraw/zinc/35/02/05/166350205.db2.gz ULBHREGSWNXXFT-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)(C)CCN(CCC[NH3+])C1CC1 49254358 166350208 /nfs/dbraw/zinc/35/02/08/166350208.db2.gz ULBHREGSWNXXFT-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)(C)[NH2+]CCCN[C@@H]1CC1(C)C 45138000 166364360 /nfs/dbraw/zinc/36/43/60/166364360.db2.gz MXGDNJCMSSSKFM-SNVBAGLBSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)(C)[NH2+]CCCN[C@H]1CC1(C)C 45137998 166365054 /nfs/dbraw/zinc/36/50/54/166365054.db2.gz MXGDNJCMSSSKFM-JTQLQIEISA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)(C)NCCC[NH2+]C1CCCC1 40215637 166365796 /nfs/dbraw/zinc/36/57/96/166365796.db2.gz AJGXNOHWHHRMTC-UHFFFAOYSA-N 1 3 198.354 2.297 10 0 AEAEHO CC(C)(C)[C@H]([NH3+])CCN1CCCCC1 26510910 166378010 /nfs/dbraw/zinc/37/80/10/166378010.db2.gz WCKGOLJPSSQODK-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)(C)[C@H](N)CC[NH+]1CCCCC1 26510910 166378012 /nfs/dbraw/zinc/37/80/12/166378012.db2.gz WCKGOLJPSSQODK-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCC[NH2+]CCCN1CCCC1 20129213 166867448 /nfs/dbraw/zinc/86/74/48/166867448.db2.gz DYSZVBSYGWPSSQ-UHFFFAOYSA-N 1 3 198.354 2.252 10 0 AEAEHO CCCCC[C@H](C)[NH2+]CC[C@@H](C)N 42574169 166873473 /nfs/dbraw/zinc/87/34/73/166873473.db2.gz ASWBIANPEZPQCZ-MNOVXSKESA-N 1 3 186.343 2.282 10 0 AEAEHO CCCCN(CCC[NH2+]CC)C1CC1 42491063 166885298 /nfs/dbraw/zinc/88/52/98/166885298.db2.gz MMQUVCSCMCVRBX-UHFFFAOYSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCCN(CC)CC[C@H]1CCC[NH2+]1 42171846 166887177 /nfs/dbraw/zinc/88/71/77/166887177.db2.gz ZCYSSRUHLFLTEI-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCN(C)CC1(C[NH2+]C)CCCC1 51215405 166942410 /nfs/dbraw/zinc/94/24/10/166942410.db2.gz HLPNSHDJBXBPMK-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[NH+](CCC)CC[C@@H](C)NC 43814737 166956195 /nfs/dbraw/zinc/95/61/95/166956195.db2.gz NPNFGNISFNENBI-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[NH2+][C@@H]1CCN(CCC)[C@H](C)C1 49709133 166997756 /nfs/dbraw/zinc/99/77/56/166997756.db2.gz PDMBCAOQYYZVQY-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@H](C)CCN(CC)C1CC1 43822378 167000387 /nfs/dbraw/zinc/00/03/87/167000387.db2.gz AASBRLYHDRWAPW-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@H](C)CCN1CCCCC1 43814573 167001205 /nfs/dbraw/zinc/00/12/05/167001205.db2.gz QVKFJZKLHWIFJX-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCN[C@H](C[NH3+])c1sccc1C 50270487 167001982 /nfs/dbraw/zinc/00/19/82/167001982.db2.gz SOIAFYNGOVUFMH-SECBINFHSA-N 1 3 198.335 2.056 10 0 AEAEHO CCC[NH2+][C@H]1CCN(CCC)C[C@@H]1C 49709117 167003416 /nfs/dbraw/zinc/00/34/16/167003416.db2.gz KYMWMZXZZWNEFO-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH2+][C@H]1CCN(CCC)[C@H](C)C1 49709135 167003504 /nfs/dbraw/zinc/00/35/04/167003504.db2.gz PDMBCAOQYYZVQY-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@H]1CCCC[C@@H]1CN(C)C 26443065 167003784 /nfs/dbraw/zinc/00/37/84/167003784.db2.gz JMBMIRGQVVFLSG-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH2+][C@H]1CCCC[C@H]1CN(C)C 26443070 167004136 /nfs/dbraw/zinc/00/41/36/167004136.db2.gz JMBMIRGQVVFLSG-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[NH2+][C@H]1CCN(CCC)C[C@H]1C 242547909 167004181 /nfs/dbraw/zinc/00/41/81/167004181.db2.gz KYMWMZXZZWNEFO-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](C)C[N@H+](CC)CCCN 51297705 167028873 /nfs/dbraw/zinc/02/88/73/167028873.db2.gz DTNBMQIWNMGYIS-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CCC[C@@H](C)C[N@@H+](CC)CCCN 51297705 167028875 /nfs/dbraw/zinc/02/88/75/167028875.db2.gz DTNBMQIWNMGYIS-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CCC[C@@H](C)CN(CC)CCC(N)=[NH2+] 51320853 167029002 /nfs/dbraw/zinc/02/90/02/167029002.db2.gz VRQCIAGNABUPCE-SNVBAGLBSA-N 1 3 199.342 2.071 10 0 AEAEHO CCC[C@@H](C)C[N@H+](CCCN)C1CC1 51297715 167029258 /nfs/dbraw/zinc/02/92/58/167029258.db2.gz SIYBQZIRERUPRK-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)C[N@@H+](CCCN)C1CC1 51297715 167029260 /nfs/dbraw/zinc/02/92/60/167029260.db2.gz SIYBQZIRERUPRK-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)CN(CCC[NH3+])C1CC1 51297715 167029262 /nfs/dbraw/zinc/02/92/62/167029262.db2.gz SIYBQZIRERUPRK-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@H](C)CN1CCC([NH2+]C)CC1 51296947 167030306 /nfs/dbraw/zinc/03/03/06/167030306.db2.gz UIAOIESSHJGZPD-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](C)C[NH+]1CCC(NC)CC1 51296947 167030307 /nfs/dbraw/zinc/03/03/07/167030307.db2.gz UIAOIESSHJGZPD-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC 51321011 167030895 /nfs/dbraw/zinc/03/08/95/167030895.db2.gz YSYXRTDYBHMGEM-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](C)C[N@H+]1CCC[C@@H]1CNC 51321011 167030899 /nfs/dbraw/zinc/03/08/99/167030899.db2.gz YSYXRTDYBHMGEM-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](C)N(C)CCC[NH2+]CC 42409627 167031312 /nfs/dbraw/zinc/03/13/12/167031312.db2.gz MVNCFOJDXPSPRC-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[C@@H](C)[N@H+](C)CCCNCC 42409627 167031314 /nfs/dbraw/zinc/03/13/14/167031314.db2.gz MVNCFOJDXPSPRC-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[C@@H](C)[N@@H+](C)CCCNCC 42409627 167031318 /nfs/dbraw/zinc/03/13/18/167031318.db2.gz MVNCFOJDXPSPRC-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[C@@H](C)[N@@H+]1CCCNC[C@H](C)C1 49663944 167031563 /nfs/dbraw/zinc/03/15/63/167031563.db2.gz FQPNIQZRQLAXRB-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](C)[N@H+]1CCCNC[C@H](C)C1 49663944 167031564 /nfs/dbraw/zinc/03/15/64/167031564.db2.gz FQPNIQZRQLAXRB-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](C)N(C)CC[C@@H](C)[NH2+]C 43896389 167031672 /nfs/dbraw/zinc/03/16/72/167031672.db2.gz RZNCFCOJAKCOEP-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[C@@H](C)[N@H+](C)CC[C@@H](C)NC 43896389 167031674 /nfs/dbraw/zinc/03/16/74/167031674.db2.gz RZNCFCOJAKCOEP-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[C@@H](C)[N@@H+](C)CC[C@@H](C)NC 43896389 167031676 /nfs/dbraw/zinc/03/16/76/167031676.db2.gz RZNCFCOJAKCOEP-GHMZBOCLSA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[C@@H](C)[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749394 167031924 /nfs/dbraw/zinc/03/19/24/167031924.db2.gz BWOYOCAHAXWTMR-WAAKLRNESA-N 1 3 196.338 2.129 10 0 AEAEHO CCC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749394 167031926 /nfs/dbraw/zinc/03/19/26/167031926.db2.gz BWOYOCAHAXWTMR-WAAKLRNESA-N 1 3 196.338 2.129 10 0 AEAEHO CCC[C@@H](C)[N@@H+]1CCCN[C@H](C)CC1 44390292 167031998 /nfs/dbraw/zinc/03/19/98/167031998.db2.gz XYUYWJUXBVAUNW-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@@H](C)[N@H+]1CCCN[C@H](C)CC1 44390292 167032000 /nfs/dbraw/zinc/03/20/00/167032000.db2.gz XYUYWJUXBVAUNW-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@@H](C)[N@H+](C)[C@@H](C)[C@@H](C)NC 43896418 167032183 /nfs/dbraw/zinc/03/21/83/167032183.db2.gz BQZVAPFYRBZAHC-MXWKQRLJSA-N 1 3 186.343 2.103 10 0 AEAEHO CCC[C@@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)NC 43896418 167032186 /nfs/dbraw/zinc/03/21/86/167032186.db2.gz BQZVAPFYRBZAHC-MXWKQRLJSA-N 1 3 186.343 2.103 10 0 AEAEHO CCC[C@@H](C)N(C)CC[C@@H]1CCC[NH2+]1 42172102 167033656 /nfs/dbraw/zinc/03/36/56/167033656.db2.gz PNWNJUVLHMBOMC-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@@H](CC)[NH+]1CCC(NC)CC1 50404956 167038381 /nfs/dbraw/zinc/03/83/81/167038381.db2.gz DFKSVFYNOYOHCA-GFCCVEGCSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@@H](CC)N1CCC([NH2+]C)CC1 50404956 167038384 /nfs/dbraw/zinc/03/83/84/167038384.db2.gz DFKSVFYNOYOHCA-GFCCVEGCSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@@H](CC)[NH+]1CCCNCCC1 50407964 167038772 /nfs/dbraw/zinc/03/87/72/167038772.db2.gz RCBGUSJWGMKTNL-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[C@@H](C[N@@H+]1CCC[C@@H]1CC)NC 50185064 167041860 /nfs/dbraw/zinc/04/18/60/167041860.db2.gz DDKPELBZFWLOIW-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@@H](C[N@H+]1CCC[C@@H]1CC)NC 50185064 167041863 /nfs/dbraw/zinc/04/18/63/167041863.db2.gz DDKPELBZFWLOIW-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@@H](N)C[NH+]1CCC(CC)CC1 42447469 167044912 /nfs/dbraw/zinc/04/49/12/167044912.db2.gz JTMOIWNTSPZSQS-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@](C)(C[NH2+]C)CN1CCCC1 51207978 167057535 /nfs/dbraw/zinc/05/75/35/167057535.db2.gz QJUMHWYOFWZCQB-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[C@@](C)(CNC)C[NH+]1CCCC1 51207978 167057537 /nfs/dbraw/zinc/05/75/37/167057537.db2.gz QJUMHWYOFWZCQB-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[C@@](C)(C[NH3+])CN(CC)C1CC1 51215054 167059168 /nfs/dbraw/zinc/05/91/68/167059168.db2.gz BOFJIJJTXCOZPL-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@@](C)(C[NH3+])CN(C)C(C)C 51210901 167059410 /nfs/dbraw/zinc/05/94/10/167059410.db2.gz SSDSFZYTRHTOLI-NSHDSACASA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@@](C)(C[NH3+])CN1CCCCC1 51211078 167060045 /nfs/dbraw/zinc/06/00/45/167060045.db2.gz RMYBMTKXTPQVJO-LBPRGKRZSA-N 1 3 198.354 2.237 10 0 AEAEHO CCC[C@@](C)(C[NH3+])CN(CC)CC 51208559 167060413 /nfs/dbraw/zinc/06/04/13/167060413.db2.gz OJRHVQHYVXNSBJ-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CCC[C@H](C)C[N@H+](CC)CCCN 51297707 167064489 /nfs/dbraw/zinc/06/44/89/167064489.db2.gz DTNBMQIWNMGYIS-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CCC[C@H](C)C[N@@H+](CC)CCCN 51297707 167064492 /nfs/dbraw/zinc/06/44/92/167064492.db2.gz DTNBMQIWNMGYIS-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CCC[C@H](C)C[N@H+](CCCN)C1CC1 51297717 167064788 /nfs/dbraw/zinc/06/47/88/167064788.db2.gz SIYBQZIRERUPRK-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](C)C[N@@H+](CCCN)C1CC1 51297717 167064791 /nfs/dbraw/zinc/06/47/91/167064791.db2.gz SIYBQZIRERUPRK-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](C)CN(CCC[NH3+])C1CC1 51297717 167064794 /nfs/dbraw/zinc/06/47/94/167064794.db2.gz SIYBQZIRERUPRK-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC 51321013 167064812 /nfs/dbraw/zinc/06/48/12/167064812.db2.gz YSYXRTDYBHMGEM-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](C)C[N@H+]1CCC[C@@H]1CNC 51321013 167064814 /nfs/dbraw/zinc/06/48/14/167064814.db2.gz YSYXRTDYBHMGEM-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](C)CN1CCC([NH2+]C)CC1 51296948 167065066 /nfs/dbraw/zinc/06/50/66/167065066.db2.gz UIAOIESSHJGZPD-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](C)C[NH+]1CCC(NC)CC1 51296948 167065069 /nfs/dbraw/zinc/06/50/69/167065069.db2.gz UIAOIESSHJGZPD-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](C)CN(CC)CCC(N)=[NH2+] 51320855 167065269 /nfs/dbraw/zinc/06/52/69/167065269.db2.gz VRQCIAGNABUPCE-JTQLQIEISA-N 1 3 199.342 2.071 10 0 AEAEHO CCC[C@H](C)[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749395 167066052 /nfs/dbraw/zinc/06/60/52/167066052.db2.gz BWOYOCAHAXWTMR-YEJSDXFRSA-N 1 3 196.338 2.129 10 0 AEAEHO CCC[C@H](C)[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749395 167066053 /nfs/dbraw/zinc/06/60/53/167066053.db2.gz BWOYOCAHAXWTMR-YEJSDXFRSA-N 1 3 196.338 2.129 10 0 AEAEHO CCC[C@H](C)N(C)CCC[NH2+]CC 42409628 167066405 /nfs/dbraw/zinc/06/64/05/167066405.db2.gz MVNCFOJDXPSPRC-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[C@H](C)[N@H+](C)CCCNCC 42409628 167066406 /nfs/dbraw/zinc/06/64/06/167066406.db2.gz MVNCFOJDXPSPRC-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[C@H](C)[N@@H+](C)CCCNCC 42409628 167066409 /nfs/dbraw/zinc/06/64/09/167066409.db2.gz MVNCFOJDXPSPRC-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[C@H](C)N(C)CC[C@@H](C)[NH2+]C 43896391 167067061 /nfs/dbraw/zinc/06/70/61/167067061.db2.gz RZNCFCOJAKCOEP-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[C@H](C)[N@H+](C)CC[C@@H](C)NC 43896391 167067064 /nfs/dbraw/zinc/06/70/64/167067064.db2.gz RZNCFCOJAKCOEP-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[C@H](C)[N@@H+](C)CC[C@@H](C)NC 43896391 167067066 /nfs/dbraw/zinc/06/70/66/167067066.db2.gz RZNCFCOJAKCOEP-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[C@H](C)N(C)CC[C@@H]1CCC[NH2+]1 42172106 167067121 /nfs/dbraw/zinc/06/71/21/167067121.db2.gz PNWNJUVLHMBOMC-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](C)[N@H+](C)[C@@H](C)[C@@H](C)NC 43896420 167067295 /nfs/dbraw/zinc/06/72/95/167067295.db2.gz BQZVAPFYRBZAHC-AXFHLTTASA-N 1 3 186.343 2.103 10 0 AEAEHO CCC[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)NC 43896420 167067297 /nfs/dbraw/zinc/06/72/97/167067297.db2.gz BQZVAPFYRBZAHC-AXFHLTTASA-N 1 3 186.343 2.103 10 0 AEAEHO CCC[C@H](C)[N@@H+]1CCCNC[C@H](C)C1 49663945 167068052 /nfs/dbraw/zinc/06/80/52/167068052.db2.gz FQPNIQZRQLAXRB-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](C)[N@H+]1CCCNC[C@H](C)C1 49663945 167068054 /nfs/dbraw/zinc/06/80/54/167068054.db2.gz FQPNIQZRQLAXRB-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](C)[N@@H+]1CCCN[C@H](C)CC1 44390295 167068071 /nfs/dbraw/zinc/06/80/71/167068071.db2.gz XYUYWJUXBVAUNW-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](C)[N@H+]1CCCN[C@H](C)CC1 44390295 167068074 /nfs/dbraw/zinc/06/80/74/167068074.db2.gz XYUYWJUXBVAUNW-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](CC)[NH+]1CCC(NC)CC1 50404958 167076852 /nfs/dbraw/zinc/07/68/52/167076852.db2.gz DFKSVFYNOYOHCA-LBPRGKRZSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](CC)N1CCC([NH2+]C)CC1 50404958 167076854 /nfs/dbraw/zinc/07/68/54/167076854.db2.gz DFKSVFYNOYOHCA-LBPRGKRZSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](CC)[NH+]1CCCNCCC1 50407966 167076937 /nfs/dbraw/zinc/07/69/37/167076937.db2.gz RCBGUSJWGMKTNL-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[C@H](C[N@@H+]1CCC[C@@H]1CC)NC 50185065 167078984 /nfs/dbraw/zinc/07/89/84/167078984.db2.gz DDKPELBZFWLOIW-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](C[N@H+]1CCC[C@@H]1CC)NC 50185065 167078988 /nfs/dbraw/zinc/07/89/88/167078988.db2.gz DDKPELBZFWLOIW-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](N)C[NH+]1CCC(CC)CC1 42447467 167081728 /nfs/dbraw/zinc/08/17/28/167081728.db2.gz JTMOIWNTSPZSQS-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@](C)(C[NH3+])CN(C)C(C)C 51210903 167092389 /nfs/dbraw/zinc/09/23/89/167092389.db2.gz SSDSFZYTRHTOLI-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[C@](C)(C[NH3+])CN(CC)CC 51208562 167092687 /nfs/dbraw/zinc/09/26/87/167092687.db2.gz OJRHVQHYVXNSBJ-LLVKDONJSA-N 1 3 186.343 2.093 10 0 AEAEHO CCC[C@](C)(C[NH3+])CN1CCCCC1 51211080 167093689 /nfs/dbraw/zinc/09/36/89/167093689.db2.gz RMYBMTKXTPQVJO-GFCCVEGCSA-N 1 3 198.354 2.237 10 0 AEAEHO CCC[C@](C)(C[NH3+])CN(CC)C1CC1 51215055 167093788 /nfs/dbraw/zinc/09/37/88/167093788.db2.gz BOFJIJJTXCOZPL-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@](C)(C[NH2+]C)CN1CCCC1 51207987 167093792 /nfs/dbraw/zinc/09/37/92/167093792.db2.gz QJUMHWYOFWZCQB-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[C@](C)(CNC)C[NH+]1CCCC1 51207987 167093793 /nfs/dbraw/zinc/09/37/93/167093793.db2.gz QJUMHWYOFWZCQB-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[NH2+][C@H]1CCN(C(C)C)C[C@@H]1C 49694190 167002969 /nfs/dbraw/zinc/00/29/69/167002969.db2.gz HJWQUFFEFYIFIK-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@H+](C(C)C)[C@H]1CCCC[C@@H]1CN 37159291 167129556 /nfs/dbraw/zinc/12/95/56/167129556.db2.gz VWHOTIOJUNTJHQ-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[N@@H+](C(C)C)[C@H]1CCCC[C@@H]1CN 37159291 167129558 /nfs/dbraw/zinc/12/95/58/167129558.db2.gz VWHOTIOJUNTJHQ-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[N@H+](C(C)C)[C@@H]1CCCC[C@@H]1CN 37159289 167131420 /nfs/dbraw/zinc/13/14/20/167131420.db2.gz VWHOTIOJUNTJHQ-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[N@@H+](C(C)C)[C@@H]1CCCC[C@@H]1CN 37159289 167131421 /nfs/dbraw/zinc/13/14/21/167131421.db2.gz VWHOTIOJUNTJHQ-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO CCN(C)CC1(C[NH2+]C)CCCCC1 51214975 167141944 /nfs/dbraw/zinc/14/19/44/167141944.db2.gz KKCMBFJFAYBYNP-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CCN(C)C[C@H]1CCCCC[C@@H]1[NH2+]C 53865264 167144948 /nfs/dbraw/zinc/14/49/48/167144948.db2.gz RNUIDXIHCCXBRI-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN(C)C[C@@H]1CCCCC[C@@H]1[NH2+]C 53865263 167145816 /nfs/dbraw/zinc/14/58/16/167145816.db2.gz RNUIDXIHCCXBRI-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN(C)C[C@@](C)(CC)C[NH2+]C1CC1 51215018 167147082 /nfs/dbraw/zinc/14/70/82/167147082.db2.gz VANXKPSHERZKMK-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[N@H+](C)C[C@@](C)(CC)CNC1CC1 51215018 167147085 /nfs/dbraw/zinc/14/70/85/167147085.db2.gz VANXKPSHERZKMK-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[N@@H+](C)C[C@@](C)(CC)CNC1CC1 51215018 167147088 /nfs/dbraw/zinc/14/70/88/167147088.db2.gz VANXKPSHERZKMK-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN(C)C[C@](C)(CC)C[NH2+]C1CC1 51215019 167147931 /nfs/dbraw/zinc/14/79/31/167147931.db2.gz VANXKPSHERZKMK-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[N@H+](C)C[C@](C)(CC)CNC1CC1 51215019 167147934 /nfs/dbraw/zinc/14/79/34/167147934.db2.gz VANXKPSHERZKMK-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[N@@H+](C)C[C@](C)(CC)CNC1CC1 51215019 167147936 /nfs/dbraw/zinc/14/79/36/167147936.db2.gz VANXKPSHERZKMK-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN(CC(CC)(CC)C[NH3+])C1CC1 51215046 167157072 /nfs/dbraw/zinc/15/70/72/167157072.db2.gz OCNKEQJVABJRCQ-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH+](CC)CC[C@H](N)C(C)(C)C 26510894 167166249 /nfs/dbraw/zinc/16/62/49/167166249.db2.gz NKBYEYHWWDYIHM-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CCN(CC)CC[C@H]([NH3+])C(C)(C)C 26510894 167166250 /nfs/dbraw/zinc/16/62/50/167166250.db2.gz NKBYEYHWWDYIHM-JTQLQIEISA-N 1 3 186.343 2.092 10 0 AEAEHO CC[NH+](CC)CC[C@@H](N)C(C)(C)C 26510891 167166676 /nfs/dbraw/zinc/16/66/76/167166676.db2.gz NKBYEYHWWDYIHM-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CCN(CC)CC[C@@H]([NH3+])C(C)(C)C 26510891 167166678 /nfs/dbraw/zinc/16/66/78/167166678.db2.gz NKBYEYHWWDYIHM-SNVBAGLBSA-N 1 3 186.343 2.092 10 0 AEAEHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C 26443156 167168993 /nfs/dbraw/zinc/16/89/93/167168993.db2.gz XRCVNQMJGZNZEJ-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C 26443149 167169069 /nfs/dbraw/zinc/16/90/69/167169069.db2.gz XRCVNQMJGZNZEJ-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH+](CC)C[C@@H]1CCCCC[C@@H]1N 53861410 167169239 /nfs/dbraw/zinc/16/92/39/167169239.db2.gz HAVZSDVDJAMCBJ-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CCN(CC)C[C@@H]1CCCCC[C@@H]1[NH3+] 53861410 167169241 /nfs/dbraw/zinc/16/92/41/167169241.db2.gz HAVZSDVDJAMCBJ-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH+](CC)C[C@H]1CCCCC[C@H]1N 53861416 167169248 /nfs/dbraw/zinc/16/92/48/167169248.db2.gz HAVZSDVDJAMCBJ-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCN(CC)C[C@H]1CCCCC[C@H]1[NH3+] 53861416 167169249 /nfs/dbraw/zinc/16/92/49/167169249.db2.gz HAVZSDVDJAMCBJ-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH+](CC)C[C@H]1C[C@H](C)CC[C@@H]1N 53861317 167169269 /nfs/dbraw/zinc/16/92/69/167169269.db2.gz NNLAHAAHQBACNP-UTUOFQBUSA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(CC)C[C@H]1C[C@H](C)CC[C@@H]1[NH3+] 53861317 167169272 /nfs/dbraw/zinc/16/92/72/167169272.db2.gz NNLAHAAHQBACNP-UTUOFQBUSA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C 26443146 167169279 /nfs/dbraw/zinc/16/92/79/167169279.db2.gz XRCVNQMJGZNZEJ-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH+](CC)C[C@@H]1C[C@@H](C)CC[C@@H]1N 53861318 167169511 /nfs/dbraw/zinc/16/95/11/167169511.db2.gz NNLAHAAHQBACNP-SRVKXCTJSA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(CC)C[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] 53861318 167169516 /nfs/dbraw/zinc/16/95/16/167169516.db2.gz NNLAHAAHQBACNP-SRVKXCTJSA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C 26443153 167169538 /nfs/dbraw/zinc/16/95/38/167169538.db2.gz XRCVNQMJGZNZEJ-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH+](CC)C[C@@H]1CCCCC[C@H]1N 53861414 167170983 /nfs/dbraw/zinc/17/09/83/167170983.db2.gz HAVZSDVDJAMCBJ-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCN(CC)C[C@@H]1CCCCC[C@H]1[NH3+] 53861414 167170984 /nfs/dbraw/zinc/17/09/84/167170984.db2.gz HAVZSDVDJAMCBJ-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH+](CC)C[C@H]1CCCCC[C@@H]1N 53861412 167171115 /nfs/dbraw/zinc/17/11/15/167171115.db2.gz HAVZSDVDJAMCBJ-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CCN(CC)C[C@H]1CCCCC[C@@H]1[NH3+] 53861412 167171117 /nfs/dbraw/zinc/17/11/17/167171117.db2.gz HAVZSDVDJAMCBJ-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH+](CC)C[C@@H]1C[C@H](C)CC[C@@H]1N 53861316 167171307 /nfs/dbraw/zinc/17/13/07/167171307.db2.gz NNLAHAAHQBACNP-WOPDTQHZSA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(CC)C[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 53861316 167171311 /nfs/dbraw/zinc/17/13/11/167171311.db2.gz NNLAHAAHQBACNP-WOPDTQHZSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[NH+](CC)C[C@H]1C[C@@H](C)CC[C@@H]1N 53861319 167171576 /nfs/dbraw/zinc/17/15/76/167171576.db2.gz NNLAHAAHQBACNP-TUAOUCFPSA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(CC)C[C@H]1C[C@@H](C)CC[C@@H]1[NH3+] 53861319 167171578 /nfs/dbraw/zinc/17/15/78/167171578.db2.gz NNLAHAAHQBACNP-TUAOUCFPSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[NH+](CC)[C@@H]1CCCCC[C@H]1CN 37157035 167172521 /nfs/dbraw/zinc/17/25/21/167172521.db2.gz AZVBZBFNDIFBQO-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH+](CC)[C@H]1CCCCC[C@@H]1CN 37157033 167172564 /nfs/dbraw/zinc/17/25/64/167172564.db2.gz AZVBZBFNDIFBQO-NEPJUHHUSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[NH+](CC)[C@H]1CCCCC[C@H]1CN 37157037 167173630 /nfs/dbraw/zinc/17/36/30/167173630.db2.gz AZVBZBFNDIFBQO-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[N@H+](CC1(N)CCCCC1)C1CC1 37080134 167176346 /nfs/dbraw/zinc/17/63/46/167176346.db2.gz XKGLXJGUGIMEAY-UHFFFAOYSA-N 1 3 196.338 2.132 10 0 AEAEHO CC[N@@H+](CC1(N)CCCCC1)C1CC1 37080134 167176349 /nfs/dbraw/zinc/17/63/49/167176349.db2.gz XKGLXJGUGIMEAY-UHFFFAOYSA-N 1 3 196.338 2.132 10 0 AEAEHO CC[N@H+](CC=C(C)C)C1CCNCC1 37469526 167177917 /nfs/dbraw/zinc/17/79/17/167177917.db2.gz XCCZLBYPCDEPIW-UHFFFAOYSA-N 1 3 196.338 2.027 10 0 AEAEHO CC[N@@H+](CC=C(C)C)C1CCNCC1 37469526 167177920 /nfs/dbraw/zinc/17/79/20/167177920.db2.gz XCCZLBYPCDEPIW-UHFFFAOYSA-N 1 3 196.338 2.027 10 0 AEAEHO CC[N@H+](CCCN)CCC(C)(C)C 49254345 167179560 /nfs/dbraw/zinc/17/95/60/167179560.db2.gz TVYNJUFITZKBRP-UHFFFAOYSA-N 1 3 186.343 2.093 10 0 AEAEHO CC[N@@H+](CCCN)CCC(C)(C)C 49254345 167179562 /nfs/dbraw/zinc/17/95/62/167179562.db2.gz TVYNJUFITZKBRP-UHFFFAOYSA-N 1 3 186.343 2.093 10 0 AEAEHO CCN(CCC[NH3+])CCC(C)(C)C 49254345 167179566 /nfs/dbraw/zinc/17/95/66/167179566.db2.gz TVYNJUFITZKBRP-UHFFFAOYSA-N 1 3 186.343 2.093 10 0 AEAEHO CCN(CCC(N)=[NH2+])CCC(C)(C)C 42452813 167179922 /nfs/dbraw/zinc/17/99/22/167179922.db2.gz HGLHOOKRTCHCJI-UHFFFAOYSA-N 1 3 199.342 2.071 10 0 AEAEHO CC[N@H+](CC[C@@H](C)NC)C1CCCC1 43890607 167187730 /nfs/dbraw/zinc/18/77/30/167187730.db2.gz REAZHLPAZTVPSC-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[N@@H+](CC[C@@H](C)NC)C1CCCC1 43890607 167187732 /nfs/dbraw/zinc/18/77/32/167187732.db2.gz REAZHLPAZTVPSC-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN(CC[C@H]1CCC[NH2+]1)CC(C)C 42172019 167188149 /nfs/dbraw/zinc/18/81/49/167188149.db2.gz PYBBKEJLPCSWES-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN(CC[C@@H]1CCC[NH2+]1)CC(C)C 42172017 167189449 /nfs/dbraw/zinc/18/94/49/167189449.db2.gz PYBBKEJLPCSWES-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[N@H+](CC[C@H](C)NC)C1CCCC1 43890608 167190349 /nfs/dbraw/zinc/19/03/49/167190349.db2.gz REAZHLPAZTVPSC-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CC[N@@H+](CC[C@H](C)NC)C1CCCC1 43890608 167190352 /nfs/dbraw/zinc/19/03/52/167190352.db2.gz REAZHLPAZTVPSC-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CC[N@H+](C[C@@H](C)CN)C1CCCCC1 11822396 167190366 /nfs/dbraw/zinc/19/03/66/167190366.db2.gz KXSKMPNCAYXSQU-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC[N@@H+](C[C@@H](C)CN)C1CCCCC1 11822396 167190369 /nfs/dbraw/zinc/19/03/69/167190369.db2.gz KXSKMPNCAYXSQU-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCN(C[C@@](C)(CC)C[NH2+]C)C1CC1 51215106 167191322 /nfs/dbraw/zinc/19/13/22/167191322.db2.gz DUGLZZOHTUJINJ-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[N@H+](C[C@H](C)CN)C1CCCCC1 11822398 167191605 /nfs/dbraw/zinc/19/16/05/167191605.db2.gz KXSKMPNCAYXSQU-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[N@@H+](C[C@H](C)CN)C1CCCCC1 11822398 167191608 /nfs/dbraw/zinc/19/16/08/167191608.db2.gz KXSKMPNCAYXSQU-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[N@H+](C[C@H]1CCCC[C@@H]1N)C(C)C 60744147 167192347 /nfs/dbraw/zinc/19/23/47/167192347.db2.gz GNHPDFYLMCWHEP-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[N@@H+](C[C@H]1CCCC[C@@H]1N)C(C)C 60744147 167192351 /nfs/dbraw/zinc/19/23/51/167192351.db2.gz GNHPDFYLMCWHEP-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[N@H+](C[C@@H]1CCCC[C@@H]1N)C(C)C 60744145 167193090 /nfs/dbraw/zinc/19/30/90/167193090.db2.gz GNHPDFYLMCWHEP-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[N@@H+](C[C@@H]1CCCC[C@@H]1N)C(C)C 60744145 167193092 /nfs/dbraw/zinc/19/30/92/167193092.db2.gz GNHPDFYLMCWHEP-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CCN(C[C@](C)(CC)C[NH2+]C)C1CC1 51215107 167193447 /nfs/dbraw/zinc/19/34/47/167193447.db2.gz DUGLZZOHTUJINJ-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+]C1CCN(C(C)(C)CC)CC1 37241723 167258048 /nfs/dbraw/zinc/25/80/48/167258048.db2.gz VGIFWPBUMZDJMY-UHFFFAOYSA-N 1 3 198.354 2.249 10 0 AEAEHO CCNC1CC[NH+](C(C)(C)CC)CC1 37241723 167258049 /nfs/dbraw/zinc/25/80/49/167258049.db2.gz VGIFWPBUMZDJMY-UHFFFAOYSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+]C1CCN([C@H](C)C(C)C)CC1 37242350 167259101 /nfs/dbraw/zinc/25/91/01/167259101.db2.gz MTAOTVKBCFTCSO-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC1CC[NH+]([C@H](C)C(C)C)CC1 37242350 167259102 /nfs/dbraw/zinc/25/91/02/167259102.db2.gz MTAOTVKBCFTCSO-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+]C1CCN([C@@H](C)C(C)C)CC1 37242348 167260177 /nfs/dbraw/zinc/26/01/77/167260177.db2.gz MTAOTVKBCFTCSO-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CCNC1CC[NH+]([C@@H](C)C(C)C)CC1 37242348 167260180 /nfs/dbraw/zinc/26/01/80/167260180.db2.gz MTAOTVKBCFTCSO-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+]C1CCN(C2CCCC2)CC1 37241672 167260312 /nfs/dbraw/zinc/26/03/12/167260312.db2.gz SWCJJEGYJZIAGI-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[NH2+]CCCN1[C@@H](C)CCC[C@H]1C 42409326 167260812 /nfs/dbraw/zinc/26/08/12/167260812.db2.gz VIWVJCAYGZKOFR-TXEJJXNPSA-N 1 3 198.354 2.249 10 0 AEAEHO CCNCCC[N@@H+]1[C@@H](C)CCC[C@H]1C 42409326 167260813 /nfs/dbraw/zinc/26/08/13/167260813.db2.gz VIWVJCAYGZKOFR-TXEJJXNPSA-N 1 3 198.354 2.249 10 0 AEAEHO CCNCCC[N@H+]1[C@@H](C)CCC[C@H]1C 42409326 167260816 /nfs/dbraw/zinc/26/08/16/167260816.db2.gz VIWVJCAYGZKOFR-TXEJJXNPSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+]CCCN1CC[C@H](C)C[C@@H]1C 51746372 167261033 /nfs/dbraw/zinc/26/10/33/167261033.db2.gz LDMHVMSTJQPRGN-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCCC[N@H+](CC1CC1)C(C)C 42590350 167261120 /nfs/dbraw/zinc/26/11/20/167261120.db2.gz OGVWIMMLZVVGQR-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCCC[N@@H+](CC1CC1)C(C)C 42590350 167261124 /nfs/dbraw/zinc/26/11/24/167261124.db2.gz OGVWIMMLZVVGQR-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+]CCCN1CCC[C@@H](C)[C@@H]1C 50566560 167261190 /nfs/dbraw/zinc/26/11/90/167261190.db2.gz CWMCTDFDCHUQGU-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCCC[N@@H+]1CCC[C@@H](C)[C@@H]1C 50566560 167261193 /nfs/dbraw/zinc/26/11/93/167261193.db2.gz CWMCTDFDCHUQGU-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCCC[N@H+]1CCC[C@@H](C)[C@@H]1C 50566560 167261195 /nfs/dbraw/zinc/26/11/95/167261195.db2.gz CWMCTDFDCHUQGU-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+]CCCN(CC(C)C)C1CC1 42559269 167261249 /nfs/dbraw/zinc/26/12/49/167261249.db2.gz PLDXGFSUCCBIRY-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCCC[N@H+](CC(C)C)C1CC1 42559269 167261251 /nfs/dbraw/zinc/26/12/51/167261251.db2.gz PLDXGFSUCCBIRY-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCCC[N@@H+](CC(C)C)C1CC1 42559269 167261252 /nfs/dbraw/zinc/26/12/52/167261252.db2.gz PLDXGFSUCCBIRY-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCCC[N@H+](C)C(CC)CC 42409622 167261268 /nfs/dbraw/zinc/26/12/68/167261268.db2.gz VVZZXJAENDZQAU-UHFFFAOYSA-N 1 3 186.343 2.106 10 0 AEAEHO CCNCCC[N@@H+](C)C(CC)CC 42409622 167261271 /nfs/dbraw/zinc/26/12/71/167261271.db2.gz VVZZXJAENDZQAU-UHFFFAOYSA-N 1 3 186.343 2.106 10 0 AEAEHO CCNCCC[N@H+](CC)C1CCCC1 42409566 167261320 /nfs/dbraw/zinc/26/13/20/167261320.db2.gz NGJYTUGGCHUVEW-UHFFFAOYSA-N 1 3 198.354 2.251 10 0 AEAEHO CCNCCC[N@@H+](CC)C1CCCC1 42409566 167261323 /nfs/dbraw/zinc/26/13/23/167261323.db2.gz NGJYTUGGCHUVEW-UHFFFAOYSA-N 1 3 198.354 2.251 10 0 AEAEHO CCNCCC[NH2+]CC1CCCCC1 13735417 167261388 /nfs/dbraw/zinc/26/13/88/167261388.db2.gz CVOJJUBQNJGXOE-UHFFFAOYSA-N 1 3 198.354 2.156 10 0 AEAEHO CC[NH2+]CC(C)(C)CN1CCC[C@H]1C 51205645 167261418 /nfs/dbraw/zinc/26/14/18/167261418.db2.gz GXJKDWCXYANFCP-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCC(C)(C)C[N@@H+]1CCC[C@H]1C 51205645 167261421 /nfs/dbraw/zinc/26/14/21/167261421.db2.gz GXJKDWCXYANFCP-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCC(C)(C)C[N@H+]1CCC[C@H]1C 51205645 167261423 /nfs/dbraw/zinc/26/14/23/167261423.db2.gz GXJKDWCXYANFCP-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+]CCCN1CCC[C@H](CC)C1 42409614 167261908 /nfs/dbraw/zinc/26/19/08/167261908.db2.gz IJPSGIFDDKIJBM-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO CC[NH2+]CC(C)(C)CN1CCCCC1 51211085 167261919 /nfs/dbraw/zinc/26/19/19/167261919.db2.gz ZTYKRHNEKUCAEI-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CC[NH2+]CCCN1CCC[C@H](C)[C@@H]1C 50566559 167262216 /nfs/dbraw/zinc/26/22/16/167262216.db2.gz CWMCTDFDCHUQGU-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCCC[N@@H+]1CCC[C@H](C)[C@@H]1C 50566559 167262219 /nfs/dbraw/zinc/26/22/19/167262219.db2.gz CWMCTDFDCHUQGU-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCCC[N@H+]1CCC[C@H](C)[C@@H]1C 50566559 167262220 /nfs/dbraw/zinc/26/22/20/167262220.db2.gz CWMCTDFDCHUQGU-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+]CC(C)(C)CN(CC)C1CC1 51215058 167262451 /nfs/dbraw/zinc/26/24/51/167262451.db2.gz WGBPLQNVYLGZHB-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+]CCCN1CCC(CC)CC1 42447299 167262553 /nfs/dbraw/zinc/26/25/53/167262553.db2.gz JDBBRYWGPSSNOG-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CCNCCC[N@H+](CC)[C@H](C)CC 42409471 167262766 /nfs/dbraw/zinc/26/27/66/167262766.db2.gz CETRDIFYDHZKHS-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CCNCCC[N@@H+](CC)[C@H](C)CC 42409471 167262768 /nfs/dbraw/zinc/26/27/68/167262768.db2.gz CETRDIFYDHZKHS-LLVKDONJSA-N 1 3 186.343 2.106 10 0 AEAEHO CC[NH2+]CCCN1CCC[C@@H](CC)C1 42409613 167262806 /nfs/dbraw/zinc/26/28/06/167262806.db2.gz IJPSGIFDDKIJBM-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CC[NH2+]CCCN1[C@H](C)CCC[C@H]1C 42409328 167263091 /nfs/dbraw/zinc/26/30/91/167263091.db2.gz VIWVJCAYGZKOFR-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CCNCCC[NH+]1[C@H](C)CCC[C@H]1C 42409328 167263094 /nfs/dbraw/zinc/26/30/94/167263094.db2.gz VIWVJCAYGZKOFR-VXGBXAGGSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+]CCCN1CC[C@@H](C)C[C@@H]1C 51746374 167263177 /nfs/dbraw/zinc/26/31/77/167263177.db2.gz LDMHVMSTJQPRGN-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+]CC(C)(C)CN1CCC[C@@H]1C 51205643 167263679 /nfs/dbraw/zinc/26/36/79/167263679.db2.gz GXJKDWCXYANFCP-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCC(C)(C)C[N@@H+]1CCC[C@@H]1C 51205643 167263681 /nfs/dbraw/zinc/26/36/81/167263681.db2.gz GXJKDWCXYANFCP-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCNCC(C)(C)C[N@H+]1CCC[C@@H]1C 51205643 167263682 /nfs/dbraw/zinc/26/36/82/167263682.db2.gz GXJKDWCXYANFCP-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+]CC1(CN(C)CC)CCCC1 51214943 167263693 /nfs/dbraw/zinc/26/36/93/167263693.db2.gz LZPASWHYFCLYOB-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CCNCCC[N@H+](CC)[C@@H](C)CC 42409472 167263869 /nfs/dbraw/zinc/26/38/69/167263869.db2.gz CETRDIFYDHZKHS-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCNCCC[N@@H+](CC)[C@@H](C)CC 42409472 167263872 /nfs/dbraw/zinc/26/38/72/167263872.db2.gz CETRDIFYDHZKHS-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CC[NH2+]C[C@@](C)(CC)CN1CCCC1 51208192 167272143 /nfs/dbraw/zinc/27/21/43/167272143.db2.gz BHMSYBPWQSAHSU-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CC[NH2+]C[C@](C)(CC)CN1CCCC1 51208189 167273856 /nfs/dbraw/zinc/27/38/56/167273856.db2.gz BHMSYBPWQSAHSU-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO CC[NH2+][C@@H](C)CCN1CCCCCC1 43812249 167281390 /nfs/dbraw/zinc/28/13/90/167281390.db2.gz JRZACJBLDVYKBL-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCN[C@@H](C)CC[NH+]1CCCCCC1 43812249 167281393 /nfs/dbraw/zinc/28/13/93/167281393.db2.gz JRZACJBLDVYKBL-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[NH2+][C@@H](C)CCN(CC)C(C)C 43882975 167281743 /nfs/dbraw/zinc/28/17/43/167281743.db2.gz QMFRTNDRYDQXPL-NSHDSACASA-N 1 3 186.343 2.105 10 0 AEAEHO CCN[C@@H](C)CC[N@H+](CC)C(C)C 43882975 167281746 /nfs/dbraw/zinc/28/17/46/167281746.db2.gz QMFRTNDRYDQXPL-NSHDSACASA-N 1 3 186.343 2.105 10 0 AEAEHO CCN[C@@H](C)CC[N@@H+](CC)C(C)C 43882975 167281749 /nfs/dbraw/zinc/28/17/49/167281749.db2.gz QMFRTNDRYDQXPL-NSHDSACASA-N 1 3 186.343 2.105 10 0 AEAEHO CC[NH2+][C@@H](C)CCN(C)[C@@H](C)C1CC1 43895049 167282281 /nfs/dbraw/zinc/28/22/81/167282281.db2.gz VVHKGVYDAXJCKR-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@@H](C)CC[N@H+](C)[C@@H](C)C1CC1 43895049 167282284 /nfs/dbraw/zinc/28/22/84/167282284.db2.gz VVHKGVYDAXJCKR-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@@H](C)CC[N@@H+](C)[C@@H](C)C1CC1 43895049 167282287 /nfs/dbraw/zinc/28/22/87/167282287.db2.gz VVHKGVYDAXJCKR-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+][C@@H](C)CCN(C)C1CCCC1 43884096 167282424 /nfs/dbraw/zinc/28/24/24/167282424.db2.gz UEFJPQOEMFRXOS-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@@H](C)CC[N@H+](C)C1CCCC1 43884096 167282428 /nfs/dbraw/zinc/28/24/28/167282428.db2.gz UEFJPQOEMFRXOS-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@@H](C)CC[N@@H+](C)C1CCCC1 43884096 167282430 /nfs/dbraw/zinc/28/24/30/167282430.db2.gz UEFJPQOEMFRXOS-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@@H]1CC[N@@H+](C2CCCCC2)C1 37241735 167289686 /nfs/dbraw/zinc/28/96/86/167289686.db2.gz CVJGQNKLMYIDSU-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCN[C@@H]1CC[N@H+](C2CCCCC2)C1 37241735 167289688 /nfs/dbraw/zinc/28/96/88/167289688.db2.gz CVJGQNKLMYIDSU-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[NH2+][C@@H]1CCN(C(C)(C)C)C[C@@H]1C 49694124 167290006 /nfs/dbraw/zinc/29/00/06/167290006.db2.gz YSDPMQJWEMUZHT-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+][C@@H]1CCCCC[C@H]1CN(C)C 53864661 167290039 /nfs/dbraw/zinc/29/00/39/167290039.db2.gz YJWQFSYTFWEIOL-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+][C@@H]1CCCCC[C@@H]1CN(C)C 53864658 167291129 /nfs/dbraw/zinc/29/11/29/167291129.db2.gz YJWQFSYTFWEIOL-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+][C@@H]1CCN(CC(C)C)[C@H](C)C1 49709032 167291535 /nfs/dbraw/zinc/29/15/35/167291535.db2.gz SFYVFPUATLJETK-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@@H]1CC[N@H+](CC(C)C)[C@H](C)C1 49709032 167291537 /nfs/dbraw/zinc/29/15/37/167291537.db2.gz SFYVFPUATLJETK-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@@H]1CC[N@@H+](CC(C)C)[C@H](C)C1 49709032 167291539 /nfs/dbraw/zinc/29/15/39/167291539.db2.gz SFYVFPUATLJETK-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@@H]1CCC[C@@H]1[N@H+](CC)C(C)C 43882760 167291706 /nfs/dbraw/zinc/29/17/06/167291706.db2.gz QDTXNZUDTKHTQY-NEPJUHHUSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@@H]1CCC[C@@H]1[N@@H+](CC)C(C)C 43882760 167291709 /nfs/dbraw/zinc/29/17/09/167291709.db2.gz QDTXNZUDTKHTQY-NEPJUHHUSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[NH2+][C@@H]1CCN(C(C)(C)C)[C@H](C)C1 49694138 167292137 /nfs/dbraw/zinc/29/21/37/167292137.db2.gz VDSWHNVJDDLUAF-GHMZBOCLSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@@H]1CCC[C@H]1[N@H+](CC)C(C)C 43882764 167292258 /nfs/dbraw/zinc/29/22/58/167292258.db2.gz QDTXNZUDTKHTQY-VXGBXAGGSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@@H]1CCC[C@H]1[N@@H+](CC)C(C)C 43882764 167292260 /nfs/dbraw/zinc/29/22/60/167292260.db2.gz QDTXNZUDTKHTQY-VXGBXAGGSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[NH2+][C@H](C)CCN(C)[C@@H](C)CC 43887615 167295506 /nfs/dbraw/zinc/29/55/06/167295506.db2.gz QNFJVMUOHDXNMQ-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CCN[C@H](C)CC[N@H+](C)[C@@H](C)CC 43887615 167295508 /nfs/dbraw/zinc/29/55/08/167295508.db2.gz QNFJVMUOHDXNMQ-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CCN[C@H](C)CC[N@@H+](C)[C@@H](C)CC 43887615 167295510 /nfs/dbraw/zinc/29/55/10/167295510.db2.gz QNFJVMUOHDXNMQ-MNOVXSKESA-N 1 3 186.343 2.105 10 0 AEAEHO CC[NH2+][C@H](C)CCN(C)C1CCCC1 43884098 167295560 /nfs/dbraw/zinc/29/55/60/167295560.db2.gz UEFJPQOEMFRXOS-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@H](C)CC[N@H+](C)C1CCCC1 43884098 167295563 /nfs/dbraw/zinc/29/55/63/167295563.db2.gz UEFJPQOEMFRXOS-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@H](C)CC[N@@H+](C)C1CCCC1 43884098 167295567 /nfs/dbraw/zinc/29/55/67/167295567.db2.gz UEFJPQOEMFRXOS-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+][C@H](C)CCN(C)[C@@H](C)C1CC1 43895051 167296305 /nfs/dbraw/zinc/29/63/05/167296305.db2.gz VVHKGVYDAXJCKR-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@H](C)CC[N@H+](C)[C@@H](C)C1CC1 43895051 167296308 /nfs/dbraw/zinc/29/63/08/167296308.db2.gz VVHKGVYDAXJCKR-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@H](C)CC[N@@H+](C)[C@@H](C)C1CC1 43895051 167296309 /nfs/dbraw/zinc/29/63/09/167296309.db2.gz VVHKGVYDAXJCKR-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+][C@H](C)CCN1CCCCCC1 43812250 167296375 /nfs/dbraw/zinc/29/63/75/167296375.db2.gz JRZACJBLDVYKBL-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCN[C@H](C)CC[NH+]1CCCCCC1 43812250 167296376 /nfs/dbraw/zinc/29/63/76/167296376.db2.gz JRZACJBLDVYKBL-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCN[C@H](C)[C@H](C)[N@@H+]1CCC[C@@H]1CC 43904736 167296565 /nfs/dbraw/zinc/29/65/65/167296565.db2.gz AYMQFIBHMKJTNW-WOPDTQHZSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@H](C)[C@H](C)[N@H+]1CCC[C@@H]1CC 43904736 167296569 /nfs/dbraw/zinc/29/65/69/167296569.db2.gz AYMQFIBHMKJTNW-WOPDTQHZSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[NH2+][C@H](C)CCN(CC)C(C)C 43882977 167296897 /nfs/dbraw/zinc/29/68/97/167296897.db2.gz QMFRTNDRYDQXPL-LLVKDONJSA-N 1 3 186.343 2.105 10 0 AEAEHO CCN[C@H](C)CC[N@H+](CC)C(C)C 43882977 167296899 /nfs/dbraw/zinc/29/68/99/167296899.db2.gz QMFRTNDRYDQXPL-LLVKDONJSA-N 1 3 186.343 2.105 10 0 AEAEHO CCN[C@H](C)CC[N@@H+](CC)C(C)C 43882977 167296902 /nfs/dbraw/zinc/29/69/02/167296902.db2.gz QMFRTNDRYDQXPL-LLVKDONJSA-N 1 3 186.343 2.105 10 0 AEAEHO CCN[C@H](CC)C[N@@H+]1CCC[C@@H]1CC 50179408 167297814 /nfs/dbraw/zinc/29/78/14/167297814.db2.gz XNRPNAACUJAQKQ-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN[C@H](CC)C[N@H+]1CCC[C@@H]1CC 50179408 167297815 /nfs/dbraw/zinc/29/78/15/167297815.db2.gz XNRPNAACUJAQKQ-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+][C@H]1CCN([C@@H](C)CC)[C@@H](C)C1 49708545 167300236 /nfs/dbraw/zinc/30/02/36/167300236.db2.gz XLNYKVKLGMEUPT-SRVKXCTJSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[NH2+][C@H]1CCN(CC(C)C)[C@H](C)C1 49709033 167300343 /nfs/dbraw/zinc/30/03/43/167300343.db2.gz SFYVFPUATLJETK-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@H]1CC[N@H+](CC(C)C)[C@H](C)C1 49709033 167300345 /nfs/dbraw/zinc/30/03/45/167300345.db2.gz SFYVFPUATLJETK-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@H]1CC[N@@H+](CC(C)C)[C@H](C)C1 49709033 167300347 /nfs/dbraw/zinc/30/03/47/167300347.db2.gz SFYVFPUATLJETK-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@H]1CC[N@@H+](C2CCCCC2)C1 37241737 167300625 /nfs/dbraw/zinc/30/06/25/167300625.db2.gz CVJGQNKLMYIDSU-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CCN[C@H]1CC[N@H+](C2CCCCC2)C1 37241737 167300629 /nfs/dbraw/zinc/30/06/29/167300629.db2.gz CVJGQNKLMYIDSU-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CC[NH2+][C@H]1CCN(C(C)(C)C)[C@H](C)C1 49694139 167300684 /nfs/dbraw/zinc/30/06/84/167300684.db2.gz VDSWHNVJDDLUAF-MNOVXSKESA-N 1 3 198.354 2.247 10 0 AEAEHO CC[NH2+][C@H]1CCCCC[C@H]1CN(C)C 53864663 167300911 /nfs/dbraw/zinc/30/09/11/167300911.db2.gz YJWQFSYTFWEIOL-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+][C@H]1CCCCC[C@@H]1CN(C)C 53864660 167301019 /nfs/dbraw/zinc/30/10/19/167301019.db2.gz YJWQFSYTFWEIOL-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[NH2+][C@H]1CCN(C(C)(C)C)C[C@@H]1C 49694125 167301169 /nfs/dbraw/zinc/30/11/69/167301169.db2.gz YSDPMQJWEMUZHT-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@H]1CCC[C@H]1[N@H+](CC)C(C)C 43882766 167301800 /nfs/dbraw/zinc/30/18/00/167301800.db2.gz QDTXNZUDTKHTQY-NWDGAFQWSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@H]1CCC[C@H]1[N@@H+](CC)C(C)C 43882766 167301804 /nfs/dbraw/zinc/30/18/04/167301804.db2.gz QDTXNZUDTKHTQY-NWDGAFQWSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@H]1CCC[C@@H]1[N@H+](CC)C(C)C 43882762 167302888 /nfs/dbraw/zinc/30/28/88/167302888.db2.gz QDTXNZUDTKHTQY-RYUDHWBXSA-N 1 3 198.354 2.247 10 0 AEAEHO CCN[C@H]1CCC[C@@H]1[N@@H+](CC)C(C)C 43882762 167302891 /nfs/dbraw/zinc/30/28/91/167302891.db2.gz QDTXNZUDTKHTQY-RYUDHWBXSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H](C(C)C)[NH+]1CCC(NC)CC1 42590144 167594754 /nfs/dbraw/zinc/59/47/54/167594754.db2.gz YPUOEGVEXYOHSE-GFCCVEGCSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@]1(C[NH2+]C2CCCC2)CCC[C@@H]1N 134951256 343951997 /nfs/dbraw/zinc/95/19/97/343951997.db2.gz CUWZGWUGDSVFOP-NWDGAFQWSA-N 1 3 196.338 2.036 10 0 AEAEHO CNCC[C@H](C)[NH+]1CCCCCCC1 52424946 168000227 /nfs/dbraw/zinc/00/02/27/168000227.db2.gz FNIMHIBNJNVGKT-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CNCC[C@H](C)[NH+]1CCC(C)(C)CC1 61823131 168000567 /nfs/dbraw/zinc/00/05/67/168000567.db2.gz FFQCAJZNPJAEQD-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO C[NH2+]CC[C@H](C)N1CCC(C)(C)CC1 61823131 168000569 /nfs/dbraw/zinc/00/05/69/168000569.db2.gz FFQCAJZNPJAEQD-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CNC[C@@H](C)C[NH+]1CCCCCCC1 52424889 168003819 /nfs/dbraw/zinc/00/38/19/168003819.db2.gz ISUHIWLXEAXJNO-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CNC[C@H](C)C[NH+]1CCCCCCC1 52424888 168010140 /nfs/dbraw/zinc/01/01/40/168010140.db2.gz ISUHIWLXEAXJNO-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO C[NH2+][C@@H](C)CCN1CCC(C)(C)CC1 61819828 168032577 /nfs/dbraw/zinc/03/25/77/168032577.db2.gz FLUYHMTXLNYMKY-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@@H](C)CC[NH+]1CCC(C)(C)CC1 61819828 168032580 /nfs/dbraw/zinc/03/25/80/168032580.db2.gz FLUYHMTXLNYMKY-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@@H](C)CC[N@H+](C)C1CCCCC1 43815045 168032879 /nfs/dbraw/zinc/03/28/79/168032879.db2.gz GVXVTUCWBIBKJS-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@@H](C)CC[N@@H+](C)C1CCCCC1 43815045 168032881 /nfs/dbraw/zinc/03/28/81/168032881.db2.gz GVXVTUCWBIBKJS-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO C[NH2+][C@@H](C)CCN(C)C1CCCCC1 43815045 168032884 /nfs/dbraw/zinc/03/28/84/168032884.db2.gz GVXVTUCWBIBKJS-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@@H](C[N@@H+]1CCC[C@@H]1C)C(C)(C)C 43902428 168036201 /nfs/dbraw/zinc/03/62/01/168036201.db2.gz LTPGHUCWIAGKKC-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H](C[N@H+]1CCC[C@@H]1C)C(C)(C)C 43902428 168036204 /nfs/dbraw/zinc/03/62/04/168036204.db2.gz LTPGHUCWIAGKKC-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H]1CCCCC[C@@H]1[NH+]1CCCC1 43806982 168038865 /nfs/dbraw/zinc/03/88/65/168038865.db2.gz NSFGOKBBQRJIGY-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO C[NH2+][C@@H]1CCN(CC(C)(C)C)[C@H](C)C1 49713179 168041146 /nfs/dbraw/zinc/04/11/46/168041146.db2.gz ZCKWYCQHBVXZAF-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H]1CC[N@H+](CC(C)(C)C)[C@H](C)C1 49713179 168041148 /nfs/dbraw/zinc/04/11/48/168041148.db2.gz ZCKWYCQHBVXZAF-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H]1CC[N@@H+](CC(C)(C)C)[C@H](C)C1 49713179 168041150 /nfs/dbraw/zinc/04/11/50/168041150.db2.gz ZCKWYCQHBVXZAF-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H]1CC[N@H+](C2CCCC2)[C@H](C)C1 49709062 168041291 /nfs/dbraw/zinc/04/12/91/168041291.db2.gz UOMRBESRCQUYJK-GHMZBOCLSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@@H]1CC[N@@H+](C2CCCC2)[C@H](C)C1 49709062 168041292 /nfs/dbraw/zinc/04/12/92/168041292.db2.gz UOMRBESRCQUYJK-GHMZBOCLSA-N 1 3 196.338 2.001 10 0 AEAEHO C[NH2+][C@@H]1CCN(C2CCCC2)[C@H](C)C1 49709062 168041294 /nfs/dbraw/zinc/04/12/94/168041294.db2.gz UOMRBESRCQUYJK-GHMZBOCLSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@@H]1CCCCC[C@H]1[NH+]1CCCC1 43806986 168041419 /nfs/dbraw/zinc/04/14/19/168041419.db2.gz NSFGOKBBQRJIGY-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CN[C@@H]1CC[N@H+](C2CCCC2)[C@@H](C)C1 49709065 168042061 /nfs/dbraw/zinc/04/20/61/168042061.db2.gz UOMRBESRCQUYJK-WDEREUQCSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@@H]1CC[N@@H+](C2CCCC2)[C@@H](C)C1 49709065 168042062 /nfs/dbraw/zinc/04/20/62/168042062.db2.gz UOMRBESRCQUYJK-WDEREUQCSA-N 1 3 196.338 2.001 10 0 AEAEHO C[NH2+][C@@H]1CCN(C2CCCC2)[C@@H](C)C1 49709065 168042064 /nfs/dbraw/zinc/04/20/64/168042064.db2.gz UOMRBESRCQUYJK-WDEREUQCSA-N 1 3 196.338 2.001 10 0 AEAEHO C[NH2+][C@@H]1CCN(CCC(C)C)[C@@H](C)C1 49707389 168043417 /nfs/dbraw/zinc/04/34/17/168043417.db2.gz RDOYDHRQLMWFDS-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H]1CC[N@H+](CCC(C)C)[C@@H](C)C1 49707389 168043420 /nfs/dbraw/zinc/04/34/20/168043420.db2.gz RDOYDHRQLMWFDS-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H]1CC[N@@H+](CCC(C)C)[C@@H](C)C1 49707389 168043421 /nfs/dbraw/zinc/04/34/21/168043421.db2.gz RDOYDHRQLMWFDS-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H]1CC[N@H+]([C@@H](C)C(C)C)[C@@H](C)C1 49710323 168043915 /nfs/dbraw/zinc/04/39/15/168043915.db2.gz BYEHGLHOWURGGU-SDDRHHMPSA-N 1 3 198.354 2.103 10 0 AEAEHO CN[C@@H]1CC[N@@H+]([C@@H](C)C(C)C)[C@@H](C)C1 49710323 168043917 /nfs/dbraw/zinc/04/39/17/168043917.db2.gz BYEHGLHOWURGGU-SDDRHHMPSA-N 1 3 198.354 2.103 10 0 AEAEHO CN[C@H](C)CC[NH+]1[C@@H](C)CCC[C@@H]1C 43815585 168048223 /nfs/dbraw/zinc/04/82/23/168048223.db2.gz MQTNBBASISDRDG-WOPDTQHZSA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@H](C)CC[N@@H+]1[C@@H](C)CCC[C@H]1C 43815583 168048389 /nfs/dbraw/zinc/04/83/89/168048389.db2.gz MQTNBBASISDRDG-UTUOFQBUSA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@H](C)CC[N@H+]1[C@@H](C)CCC[C@H]1C 43815583 168048391 /nfs/dbraw/zinc/04/83/91/168048391.db2.gz MQTNBBASISDRDG-UTUOFQBUSA-N 1 3 198.354 2.247 10 0 AEAEHO CN[C@H](C)CC[N@H+](C)C1CCCCC1 43815046 168048683 /nfs/dbraw/zinc/04/86/83/168048683.db2.gz GVXVTUCWBIBKJS-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CN[C@H](C)CC[N@@H+](C)C1CCCCC1 43815046 168048684 /nfs/dbraw/zinc/04/86/84/168048684.db2.gz GVXVTUCWBIBKJS-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO C[NH2+][C@H](C)CCN(C)C1CCCCC1 43815046 168048686 /nfs/dbraw/zinc/04/86/86/168048686.db2.gz GVXVTUCWBIBKJS-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO C[NH2+][C@H](C)CCN1CCC(C)(C)CC1 61819829 168049398 /nfs/dbraw/zinc/04/93/98/168049398.db2.gz FLUYHMTXLNYMKY-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@H](C)CC[NH+]1CCC(C)(C)CC1 61819829 168049400 /nfs/dbraw/zinc/04/94/00/168049400.db2.gz FLUYHMTXLNYMKY-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CN[C@H]1CCCCC[C@H]1[NH+]1CCCC1 43806987 168055253 /nfs/dbraw/zinc/05/52/53/168055253.db2.gz NSFGOKBBQRJIGY-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CN[C@H]1CCCCC[C@@H]1[NH+]1CCCC1 43806984 168055363 /nfs/dbraw/zinc/05/53/63/168055363.db2.gz NSFGOKBBQRJIGY-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO C[NH2+][C@H]1CCCC[C@@H]1CN(C)C(C)C 60720803 168056011 /nfs/dbraw/zinc/05/60/11/168056011.db2.gz URLYCQAQDFYIDN-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@H]1CCN(CCC(C)C)[C@@H](C)C1 49707392 168056729 /nfs/dbraw/zinc/05/67/29/168056729.db2.gz RDOYDHRQLMWFDS-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CC[N@H+](CCC(C)C)[C@@H](C)C1 49707392 168056732 /nfs/dbraw/zinc/05/67/32/168056732.db2.gz RDOYDHRQLMWFDS-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CC[N@@H+](CCC(C)C)[C@@H](C)C1 49707392 168056734 /nfs/dbraw/zinc/05/67/34/168056734.db2.gz RDOYDHRQLMWFDS-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@H]1CCCC[C@H]1CN(C)C(C)C 60720802 168056988 /nfs/dbraw/zinc/05/69/88/168056988.db2.gz URLYCQAQDFYIDN-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CC[N@H+](C2CCCC2)[C@H](C)C1 49709066 168057029 /nfs/dbraw/zinc/05/70/29/168057029.db2.gz UOMRBESRCQUYJK-MNOVXSKESA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@H]1CC[N@@H+](C2CCCC2)[C@H](C)C1 49709066 168057031 /nfs/dbraw/zinc/05/70/31/168057031.db2.gz UOMRBESRCQUYJK-MNOVXSKESA-N 1 3 196.338 2.001 10 0 AEAEHO C[NH2+][C@H]1CCN(C2CCCC2)[C@H](C)C1 49709066 168057032 /nfs/dbraw/zinc/05/70/32/168057032.db2.gz UOMRBESRCQUYJK-MNOVXSKESA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@H]1CC[N@H+](C2CCCC2)[C@@H](C)C1 49709068 168057680 /nfs/dbraw/zinc/05/76/80/168057680.db2.gz UOMRBESRCQUYJK-QWRGUYRKSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@H]1CC[N@@H+](C2CCCC2)[C@@H](C)C1 49709068 168057683 /nfs/dbraw/zinc/05/76/83/168057683.db2.gz UOMRBESRCQUYJK-QWRGUYRKSA-N 1 3 196.338 2.001 10 0 AEAEHO C[NH2+][C@H]1CCN(C2CCCC2)[C@@H](C)C1 49709068 168057684 /nfs/dbraw/zinc/05/76/84/168057684.db2.gz UOMRBESRCQUYJK-QWRGUYRKSA-N 1 3 196.338 2.001 10 0 AEAEHO C[NH2+][C@H]1CCN(CC(C)(C)C)[C@@H](C)C1 49713182 168057789 /nfs/dbraw/zinc/05/77/89/168057789.db2.gz ZCKWYCQHBVXZAF-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CC[N@H+](CC(C)(C)C)[C@@H](C)C1 49713182 168057790 /nfs/dbraw/zinc/05/77/90/168057790.db2.gz ZCKWYCQHBVXZAF-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CC[N@@H+](CC(C)(C)C)[C@@H](C)C1 49713182 168057792 /nfs/dbraw/zinc/05/77/92/168057792.db2.gz ZCKWYCQHBVXZAF-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@H]1CCN(CC(C)(C)C)[C@H](C)C1 49713181 168058339 /nfs/dbraw/zinc/05/83/39/168058339.db2.gz ZCKWYCQHBVXZAF-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CC[N@H+](CC(C)(C)C)[C@H](C)C1 49713181 168058341 /nfs/dbraw/zinc/05/83/41/168058341.db2.gz ZCKWYCQHBVXZAF-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CC[N@@H+](CC(C)(C)C)[C@H](C)C1 49713181 168058342 /nfs/dbraw/zinc/05/83/42/168058342.db2.gz ZCKWYCQHBVXZAF-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@H]1CC[N@H+]([C@@H](C)C(C)C)[C@@H](C)C1 49710329 168059115 /nfs/dbraw/zinc/05/91/15/168059115.db2.gz BYEHGLHOWURGGU-SRVKXCTJSA-N 1 3 198.354 2.103 10 0 AEAEHO CN[C@H]1CC[N@@H+]([C@@H](C)C(C)C)[C@@H](C)C1 49710329 168059116 /nfs/dbraw/zinc/05/91/16/168059116.db2.gz BYEHGLHOWURGGU-SRVKXCTJSA-N 1 3 198.354 2.103 10 0 AEAEHO C[NH2+][C@@H]1CCN(CC(C)(C)C)[C@@H](C)C1 49713180 168041734 /nfs/dbraw/zinc/04/17/34/168041734.db2.gz ZCKWYCQHBVXZAF-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H]1CC[N@H+](CC(C)(C)C)[C@@H](C)C1 49713180 168041737 /nfs/dbraw/zinc/04/17/37/168041737.db2.gz ZCKWYCQHBVXZAF-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H]1CC[N@@H+](CC(C)(C)C)[C@@H](C)C1 49713180 168041739 /nfs/dbraw/zinc/04/17/39/168041739.db2.gz ZCKWYCQHBVXZAF-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@@H](CCN)[N@H+](C)[C@@H](C)C(C)(C)C 42739464 168336886 /nfs/dbraw/zinc/33/68/86/168336886.db2.gz NHTJPXSAQNFMGP-UWVGGRQHSA-N 1 3 186.343 2.090 10 0 AEAEHO C[C@@H](CCN)[N@@H+](C)[C@@H](C)C(C)(C)C 42739464 168336888 /nfs/dbraw/zinc/33/68/88/168336888.db2.gz NHTJPXSAQNFMGP-UWVGGRQHSA-N 1 3 186.343 2.090 10 0 AEAEHO C[C@@H](CCN)[N@H+](C)[C@@H]1CCC[C@@H](C)C1 42492005 168337361 /nfs/dbraw/zinc/33/73/61/168337361.db2.gz CRRLZXIETKCDHF-GRYCIOLGSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](CCN)[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 42492005 168337362 /nfs/dbraw/zinc/33/73/62/168337362.db2.gz CRRLZXIETKCDHF-GRYCIOLGSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](CCN)[N@H+](C)C1CCCCCC1 41042657 168338079 /nfs/dbraw/zinc/33/80/79/168338079.db2.gz ZXEBUEBKGCPAGQ-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO C[C@@H](CCN)[N@@H+](C)C1CCCCCC1 41042657 168338080 /nfs/dbraw/zinc/33/80/80/168338080.db2.gz ZXEBUEBKGCPAGQ-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO C[C@@H](CCN)[N@H+](C)CC1CCCCC1 42491916 168338125 /nfs/dbraw/zinc/33/81/25/168338125.db2.gz LZJYFVPHCOYDQN-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H](CCN)[N@@H+](C)CC1CCCCC1 42491916 168338128 /nfs/dbraw/zinc/33/81/28/168338128.db2.gz LZJYFVPHCOYDQN-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H](CN)C[N@H+](C)[C@@H]1CCCC[C@@H]1C 42602254 168342356 /nfs/dbraw/zinc/34/23/56/168342356.db2.gz BWZXDSQSUXJHBZ-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](CN)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C 42602254 168342359 /nfs/dbraw/zinc/34/23/59/168342359.db2.gz BWZXDSQSUXJHBZ-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](CN)C[N@H+](C)C1CCCCCC1 36328145 168342660 /nfs/dbraw/zinc/34/26/60/168342660.db2.gz IEDNQDVDCMYDSX-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H](CN)C[N@@H+](C)C1CCCCCC1 36328145 168342663 /nfs/dbraw/zinc/34/26/63/168342663.db2.gz IEDNQDVDCMYDSX-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H](CN)C[N@H+](C)CC1CCCCC1 42317924 168343927 /nfs/dbraw/zinc/34/39/27/168343927.db2.gz WGWDIBAOQNPXHX-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO C[C@@H](CN)C[N@@H+](C)CC1CCCCC1 42317924 168343930 /nfs/dbraw/zinc/34/39/30/168343930.db2.gz WGWDIBAOQNPXHX-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO C[C@@H](CN)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 42491958 168343978 /nfs/dbraw/zinc/34/39/78/168343978.db2.gz RXMKGTOMUACXBA-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](CN)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 42491958 168343979 /nfs/dbraw/zinc/34/39/79/168343979.db2.gz RXMKGTOMUACXBA-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](N)CC[NH2+]C1CCCCCC1 40397498 168361503 /nfs/dbraw/zinc/36/15/03/168361503.db2.gz XNTOWDPJMWPNKL-SNVBAGLBSA-N 1 3 184.327 2.036 10 0 AEAEHO C[C@@H](N)CC[N@H+](C)CC1CCCCC1 42492745 168361542 /nfs/dbraw/zinc/36/15/42/168361542.db2.gz YDOHJSUJEAIVLW-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H](N)CC[N@@H+](C)CC1CCCCC1 42492745 168361543 /nfs/dbraw/zinc/36/15/43/168361543.db2.gz YDOHJSUJEAIVLW-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H]([NH3+])CCN(C)CC1CCCCC1 42492745 168361545 /nfs/dbraw/zinc/36/15/45/168361545.db2.gz YDOHJSUJEAIVLW-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H](N)CC[NH2+]C1(C)CCCCC1 45047274 168362586 /nfs/dbraw/zinc/36/25/86/168362586.db2.gz ADVGSNNUQMEWJW-SNVBAGLBSA-N 1 3 184.327 2.036 10 0 AEAEHO C[C@@H](N)CC[N@H+](C)C1CCCCCC1 36328412 168362918 /nfs/dbraw/zinc/36/29/18/168362918.db2.gz IOECSHPKILMYKC-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO C[C@@H](N)CC[N@@H+](C)C1CCCCCC1 36328412 168362919 /nfs/dbraw/zinc/36/29/19/168362919.db2.gz IOECSHPKILMYKC-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO C[C@@H](N)CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 42492786 168363625 /nfs/dbraw/zinc/36/36/25/168363625.db2.gz TXQXPRNYPCSYBT-IJLUTSLNSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](N)CC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 42492786 168363627 /nfs/dbraw/zinc/36/36/27/168363627.db2.gz TXQXPRNYPCSYBT-IJLUTSLNSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]1CC[N@@H+](C2CCCC2)CCCN1 49664882 168432680 /nfs/dbraw/zinc/43/26/80/168432680.db2.gz CFPUQZKZDLEJGT-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H]1CC[N@H+](C2CCCC2)CCCN1 49664882 168432681 /nfs/dbraw/zinc/43/26/81/168432681.db2.gz CFPUQZKZDLEJGT-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO NCCC[NH2+]C1CCCCCCC1 37713099 169183113 /nfs/dbraw/zinc/18/31/13/169183113.db2.gz LNOFOYGIOWCQTN-UHFFFAOYSA-N 1 3 184.327 2.038 10 0 AEAEHO NCCC[NH2+]CCCC1CCCCC1 74339307 169183735 /nfs/dbraw/zinc/18/37/35/169183735.db2.gz OGLWCMBZPGSCBN-UHFFFAOYSA-N 1 3 198.354 2.285 10 0 AEAEHO N[C@@H]1CCC[C@H]([NH+]2CCCCCC2)C1 71507424 169253281 /nfs/dbraw/zinc/25/32/81/169253281.db2.gz SOJVRQXDFCDIRJ-NEPJUHHUSA-N 1 3 196.338 2.132 10 0 AEAEHO N[C@@H]1CCC[C@@H]([NH+]2CCCCCC2)C1 71507423 169253392 /nfs/dbraw/zinc/25/33/92/169253392.db2.gz SOJVRQXDFCDIRJ-VXGBXAGGSA-N 1 3 196.338 2.132 10 0 AEAEHO [NH3+]C1c2cccnc2-c2sccc21 82781697 169260541 /nfs/dbraw/zinc/26/05/41/169260541.db2.gz BSILNMZKIUKSGZ-MRVPVSSYSA-N 1 3 188.255 2.172 10 0 AEAEHO N[C@H]1CCC[C@@H]([NH+]2CCCCCC2)C1 71507421 169273334 /nfs/dbraw/zinc/27/33/34/169273334.db2.gz SOJVRQXDFCDIRJ-NWDGAFQWSA-N 1 3 196.338 2.132 10 0 AEAEHO N[C@H]1CCC[C@H]([NH+]2CCCCCC2)C1 71507422 169273580 /nfs/dbraw/zinc/27/35/80/169273580.db2.gz SOJVRQXDFCDIRJ-RYUDHWBXSA-N 1 3 196.338 2.132 10 0 AEAEHO [NH3+]C1c2cccnc2-c2sccc21 82781698 169280404 /nfs/dbraw/zinc/28/04/04/169280404.db2.gz BSILNMZKIUKSGZ-QMMMGPOBSA-N 1 3 188.255 2.172 10 0 AEAEHO CC[NH+](CC)[C@@H]1CCCCC[C@@H]1CN 37157031 171027561 /nfs/dbraw/zinc/02/75/61/171027561.db2.gz AZVBZBFNDIFBQO-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H]1CCN(C2CCC2)CCC[NH2+]1 52213784 171097589 /nfs/dbraw/zinc/09/75/89/171097589.db2.gz IGQPIQQJUZDQII-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[NH2+][C@@H](C)CCN(CC)C1CC1 43822375 171151439 /nfs/dbraw/zinc/15/14/39/171151439.db2.gz AASBRLYHDRWAPW-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@@H](C)CCN1CCCCC1 43814571 171151506 /nfs/dbraw/zinc/15/15/06/171151506.db2.gz QVKFJZKLHWIFJX-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[NH2+][C@@H](C)CCN(C)CCC 43886458 171151657 /nfs/dbraw/zinc/15/16/57/171151657.db2.gz OEOSUTOIRGNZEL-NSHDSACASA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[NH2+][C@@H](C)CCN(C)C(C)C 43813832 171151716 /nfs/dbraw/zinc/15/17/16/171151716.db2.gz ZGDNEQOXHFVGGH-NSHDSACASA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[NH2+][C@@H](C)CCN1CCC[C@@H]1C 43903914 171152008 /nfs/dbraw/zinc/15/20/08/171152008.db2.gz KYGAJJTYHMBRBI-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[C@@H]1CC[N@H+](CCC(C)C)CCN1 49660899 171153923 /nfs/dbraw/zinc/15/39/23/171153923.db2.gz GHFJOMGUNIXIEI-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H]1CC[N@@H+](CCC(C)C)CCN1 49660899 171153925 /nfs/dbraw/zinc/15/39/25/171153925.db2.gz GHFJOMGUNIXIEI-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H]1CCN(CCC(C)C)CC[NH2+]1 49660899 171153927 /nfs/dbraw/zinc/15/39/27/171153927.db2.gz GHFJOMGUNIXIEI-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN(CC)CC1(C[NH3+])CCCCC1 49811920 171155222 /nfs/dbraw/zinc/15/52/22/171155222.db2.gz SNFXUHCOENOTMN-UHFFFAOYSA-N 1 3 198.354 2.237 10 0 AEAEHO CCN(CC)CC1(C[NH2+]C)CCCC1 51208524 171159183 /nfs/dbraw/zinc/15/91/83/171159183.db2.gz GYXLABWEZQKJKM-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CC[NH+](CC)CC(C)(C)CNC1CC1 51208575 171159208 /nfs/dbraw/zinc/15/92/08/171159208.db2.gz LLYSVSLHWDJUSW-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN(CC)CC(C)(C)C[NH2+]C1CC1 51208575 171159210 /nfs/dbraw/zinc/15/92/10/171159210.db2.gz LLYSVSLHWDJUSW-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN(CC)CC(CC)(CC)C[NH3+] 51208542 171159257 /nfs/dbraw/zinc/15/92/57/171159257.db2.gz KUZDCBYGHARRFF-UHFFFAOYSA-N 1 3 186.343 2.093 10 0 AEAEHO C[C@@H]([NH2+][C@H]1CCCNCC1)C(C)(C)C 162695972 344212235 /nfs/dbraw/zinc/21/22/35/344212235.db2.gz ADGLFWAMFKNCAT-MNOVXSKESA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@@H]1CCC[N@@H+](C[C@@H](C)[C@@H](C)N)CC1 165209560 344260056 /nfs/dbraw/zinc/26/00/56/344260056.db2.gz VRMOIDUJMYVWQL-IJLUTSLNSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]1CCC[N@H+](C[C@@H](C)[C@@H](C)N)CC1 165209560 344260057 /nfs/dbraw/zinc/26/00/57/344260057.db2.gz VRMOIDUJMYVWQL-IJLUTSLNSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H](C[C@H]1CCCCN1)[NH+]1CCCC1 166208940 344276262 /nfs/dbraw/zinc/27/62/62/344276262.db2.gz MAHNHLWRIFFZFZ-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H](C[C@H]1CCCC[NH2+]1)N1CCCC1 166208807 344276317 /nfs/dbraw/zinc/27/63/17/344276317.db2.gz MAHNHLWRIFFZFZ-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO C[NH2+]C1(C)CCN([C@H](C)C(C)C)CC1 168430260 344330924 /nfs/dbraw/zinc/33/09/24/344330924.db2.gz ULTAMIRSIDFKBD-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CNC1(C)CC[NH+]([C@H](C)C(C)C)CC1 168430260 344330925 /nfs/dbraw/zinc/33/09/25/344330925.db2.gz ULTAMIRSIDFKBD-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H]1CC[N@H+](C(C)C)CC[C@@H](C)N1 219613401 344426247 /nfs/dbraw/zinc/42/62/47/344426247.db2.gz NYUCELZOXRCFQM-VXGBXAGGSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(C)(C)[N@@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 221808966 344446258 /nfs/dbraw/zinc/44/62/58/344446258.db2.gz IJZCRDYVXOAVIT-DCAQKATOSA-N 1 3 198.354 2.233 10 0 AEAEHO CCC(C)(C)[N@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 221808966 344446259 /nfs/dbraw/zinc/44/62/59/344446259.db2.gz IJZCRDYVXOAVIT-DCAQKATOSA-N 1 3 198.354 2.233 10 0 AEAEHO CC[NH2+][C@@H]1CCN(C(C)C)[C@@H](C)[C@@H]1C 221779169 344446271 /nfs/dbraw/zinc/44/62/71/344446271.db2.gz XSEQBNWKPIVOSD-SDDRHHMPSA-N 1 3 198.354 2.103 10 0 AEAEHO C[C@H]([N@@H+](C)[C@@H]1CC[C@@H](N)C1)C(C)(C)C 223159027 344457249 /nfs/dbraw/zinc/45/72/49/344457249.db2.gz ZCQMHSOUMBZLKQ-HBNTYKKESA-N 1 3 198.354 2.233 10 0 AEAEHO CC[N@H+](C1CCCC1)[C@H]1CC[C@@H](N)C1 223121059 344457693 /nfs/dbraw/zinc/45/76/93/344457693.db2.gz RKDFUXQNCYERDA-PWSUYJOCSA-N 1 3 196.338 2.131 10 0 AEAEHO CC[N@@H+](C1CCCC1)[C@H]1CC[C@@H](N)C1 223121059 344457695 /nfs/dbraw/zinc/45/76/95/344457695.db2.gz RKDFUXQNCYERDA-PWSUYJOCSA-N 1 3 196.338 2.131 10 0 AEAEHO CC1(C)CCC[N@@H+]1[C@H]1CCC[C@@H](N)C1 223176596 344458062 /nfs/dbraw/zinc/45/80/62/344458062.db2.gz ZDIIHVKSJGZRCU-MNOVXSKESA-N 1 3 196.338 2.131 10 0 AEAEHO CC1(C)CCC[N@H+]1[C@@H]1CCC[C@@H](N)C1 223176535 344458183 /nfs/dbraw/zinc/45/81/83/344458183.db2.gz ZDIIHVKSJGZRCU-GHMZBOCLSA-N 1 3 196.338 2.131 10 0 AEAEHO C[C@H](N)[C@@H](C)C[N@@H+]1CCCCC[C@@H]1C 228600513 344564430 /nfs/dbraw/zinc/56/44/30/344564430.db2.gz KNBOJPXOEOZBQD-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC1(N2CC[NH2+][C@@H](C)CC2)CCC1 229541710 344601491 /nfs/dbraw/zinc/60/14/91/344601491.db2.gz LREKEEZICJEZKV-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H]1C[C@H]([N@@H+]2CCCC2(C)C)CCN1 229547108 344602073 /nfs/dbraw/zinc/60/20/73/344602073.db2.gz WZDOVQGCQWMPFR-WDEREUQCSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@H]1C[C@H]([N@H+]2CCCC2(C)C)CCN1 229547108 344602074 /nfs/dbraw/zinc/60/20/74/344602074.db2.gz WZDOVQGCQWMPFR-WDEREUQCSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@H]1C[C@@H]([N@@H+]2CCCC2(C)C)CCN1 229547124 344602143 /nfs/dbraw/zinc/60/21/43/344602143.db2.gz WZDOVQGCQWMPFR-QWRGUYRKSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@H]1C[C@@H]([N@H+]2CCCC2(C)C)CCN1 229547124 344602144 /nfs/dbraw/zinc/60/21/44/344602144.db2.gz WZDOVQGCQWMPFR-QWRGUYRKSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@@H]1C[C@@H]([N@@H+]2CCCC2(C)C)CCN1 229547117 344602160 /nfs/dbraw/zinc/60/21/60/344602160.db2.gz WZDOVQGCQWMPFR-MNOVXSKESA-N 1 3 196.338 2.001 10 0 AEAEHO CC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCC1 233022949 344698706 /nfs/dbraw/zinc/69/87/06/344698706.db2.gz SQCXLQWDBTZIEV-WDEREUQCSA-N 1 3 196.338 2.036 10 0 AEAEHO CC1(C[NH2+][C@H]2CCC[C@H](N)C2)CCC1 233029729 344699414 /nfs/dbraw/zinc/69/94/14/344699414.db2.gz SQCXLQWDBTZIEV-QWRGUYRKSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[N@@H+]1C[C@@H](C(C)(C)C)NCC[C@H]1C 250240175 344831086 /nfs/dbraw/zinc/83/10/86/344831086.db2.gz HFIMOQAUYWGOMB-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@H+]1C[C@@H](C(C)(C)C)NCC[C@H]1C 250240175 344831087 /nfs/dbraw/zinc/83/10/87/344831087.db2.gz HFIMOQAUYWGOMB-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCN1C[C@@H](C(C)(C)C)[NH2+]CC[C@H]1C 250240175 344831088 /nfs/dbraw/zinc/83/10/88/344831088.db2.gz HFIMOQAUYWGOMB-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[N@H+](C)[C@H]1CCCCC[C@H]1CN 250480897 344834579 /nfs/dbraw/zinc/83/45/79/344834579.db2.gz CECBRUSBUUFCJI-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@@H+](C)[C@H]1CCCCC[C@H]1CN 250480897 344834580 /nfs/dbraw/zinc/83/45/80/344834580.db2.gz CECBRUSBUUFCJI-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@H+](C)[C@@H]1CCCCC[C@H]1CN 250480895 344834622 /nfs/dbraw/zinc/83/46/22/344834622.db2.gz CECBRUSBUUFCJI-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@@H+](C)[C@@H]1CCCCC[C@H]1CN 250480895 344834623 /nfs/dbraw/zinc/83/46/23/344834623.db2.gz CECBRUSBUUFCJI-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]([N@H+](C)[C@H]1CC[C@H](N)C1)C(C)(C)C 251090837 344846680 /nfs/dbraw/zinc/84/66/80/344846680.db2.gz ZCQMHSOUMBZLKQ-DCAQKATOSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H]([N@@H+](C)[C@H]1CC[C@H](N)C1)C(C)(C)C 251090837 344846681 /nfs/dbraw/zinc/84/66/81/344846681.db2.gz ZCQMHSOUMBZLKQ-DCAQKATOSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H]([N@H+](C)[C@H]1CC[C@@H](N)C1)C(C)(C)C 251090836 344846732 /nfs/dbraw/zinc/84/67/32/344846732.db2.gz ZCQMHSOUMBZLKQ-AXFHLTTASA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H]([N@@H+](C)[C@H]1CC[C@@H](N)C1)C(C)(C)C 251090836 344846733 /nfs/dbraw/zinc/84/67/33/344846733.db2.gz ZCQMHSOUMBZLKQ-AXFHLTTASA-N 1 3 198.354 2.233 10 0 AEAEHO CCC(C)(C)[N@H+](C)[C@H]1CCNC[C@H]1C 251217018 344849505 /nfs/dbraw/zinc/84/95/05/344849505.db2.gz FKDGMXWNCALNRX-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@@H+]1CC[C@H](C)NC[C@@H](C)C1 251960819 344882771 /nfs/dbraw/zinc/88/27/71/344882771.db2.gz VQMQVACFGGXUKL-WOPDTQHZSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@H+]1CC[C@H](C)NC[C@@H](C)C1 251960819 344882774 /nfs/dbraw/zinc/88/27/74/344882774.db2.gz VQMQVACFGGXUKL-WOPDTQHZSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@@H]1CCCN1CC[C@H]1CCCC[NH2+]1 252101257 344885336 /nfs/dbraw/zinc/88/53/36/344885336.db2.gz GHQVDQKNCAECTJ-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H]1CCC[N@@H+]1CC[C@H]1CCCCN1 252101257 344885338 /nfs/dbraw/zinc/88/53/38/344885338.db2.gz GHQVDQKNCAECTJ-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)[N@H+](C)C[C@H]1C[C@H](C)CC[C@@H]1N 252180407 344890009 /nfs/dbraw/zinc/89/00/09/344890009.db2.gz SUQLJLKTEFEARL-UTUOFQBUSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](N)C(C)(C)C[N@@H+]1CCCC[C@H]1C 252197289 344891251 /nfs/dbraw/zinc/89/12/51/344891251.db2.gz SORQVWUEUZFDKL-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)C(C)(C)C[N@H+]1CCCC[C@H]1C 252197289 344891252 /nfs/dbraw/zinc/89/12/52/344891252.db2.gz SORQVWUEUZFDKL-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CC[NH2+][C@@H]1CCN(C(C)C)[C@H](C)[C@H]1C 252614012 344904644 /nfs/dbraw/zinc/90/46/44/344904644.db2.gz XSEQBNWKPIVOSD-IJLUTSLNSA-N 1 3 198.354 2.103 10 0 AEAEHO CC(C)[N@H+](C)[C@H]1C[C@H](C)CC[C@H]1CN 252437885 344896737 /nfs/dbraw/zinc/89/67/37/344896737.db2.gz YECHGDXLVNFDOU-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[N@@H+](C)[C@H]1C[C@H](C)CC[C@H]1CN 252437885 344896739 /nfs/dbraw/zinc/89/67/39/344896739.db2.gz YECHGDXLVNFDOU-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC(C)(C)C[N@@H+]1CC[C@H](N)[C@H](C)C1 300014329 344962723 /nfs/dbraw/zinc/96/27/23/344962723.db2.gz AHVRVRQKRNUEOW-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(C)C[N@H+]1CC[C@H](N)[C@H](C)C1 300014329 344962724 /nfs/dbraw/zinc/96/27/24/344962724.db2.gz AHVRVRQKRNUEOW-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(C)CN1CC[C@H]([NH3+])[C@H](C)C1 300014329 344962725 /nfs/dbraw/zinc/96/27/25/344962725.db2.gz AHVRVRQKRNUEOW-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)(C)C[NH2+][C@H]1CCNCC1(C)C 300772498 344995012 /nfs/dbraw/zinc/99/50/12/344995012.db2.gz AENPBTBWDBWUCM-JTQLQIEISA-N 1 3 198.354 2.010 10 0 AEAEHO CNC[C@H](C)[N@@H+]1CCCC12CCCC2 306474003 345338266 /nfs/dbraw/zinc/33/82/66/345338266.db2.gz VFMWBNUFLBYYHL-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CCCC1([N@@H+]2CC[C@H](N)C[C@@H]2C)CC1 306562122 345438198 /nfs/dbraw/zinc/43/81/98/345438198.db2.gz NTCVCDIVFYORSL-QWRGUYRKSA-N 1 3 196.338 2.131 10 0 AEAEHO CCCC1([N@H+]2CC[C@H](N)C[C@@H]2C)CC1 306562122 345438199 /nfs/dbraw/zinc/43/81/99/345438199.db2.gz NTCVCDIVFYORSL-QWRGUYRKSA-N 1 3 196.338 2.131 10 0 AEAEHO CCCC1(N2CC[C@H]([NH3+])C[C@@H]2C)CC1 306562122 345438200 /nfs/dbraw/zinc/43/82/00/345438200.db2.gz NTCVCDIVFYORSL-QWRGUYRKSA-N 1 3 196.338 2.131 10 0 AEAEHO CCCC[C@H](C)N[C@@H]1CC[C@@H](C)[NH2+]C1 399044387 346597888 /nfs/dbraw/zinc/59/78/88/346597888.db2.gz UALBBAGYQMBTHQ-GRYCIOLGSA-N 1 3 198.354 2.295 10 0 AEAEHO CCC(CC)CN[C@@H]1CC[C@@H](C)[NH2+]C1 399035521 346598101 /nfs/dbraw/zinc/59/81/01/346598101.db2.gz OJHRWBUQFOLQAI-ZYHUDNBSSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCN(C)CC[C@@H]1CCCC[N@@H+]1C 608500904 347009094 /nfs/dbraw/zinc/00/90/94/347009094.db2.gz FWTCAYRSWUDHJL-LBPRGKRZSA-N 1 3 198.354 2.203 10 0 AEAEHO C/C=C/C[C@H]1CCC[N@@H+](CCCN)C1 629595499 347351952 /nfs/dbraw/zinc/35/19/52/347351952.db2.gz QRZWOVZPIOXTFB-JDGPPOGSSA-N 1 3 196.338 2.013 10 0 AEAEHO C[C@H]([NH2+]CCCN)[C@@H]1CCCC[C@H]1C 643496792 352970029 /nfs/dbraw/zinc/97/00/29/352970029.db2.gz KFZWLCGLNRUGMA-GRYCIOLGSA-N 1 3 198.354 2.140 10 0 AEAEHO CCCC[C@H](C)[C@H](C)[NH2+]CCCN 643496829 352970960 /nfs/dbraw/zinc/97/09/60/352970960.db2.gz YDVLOIXWJCUKFF-QWRGUYRKSA-N 1 3 186.343 2.140 10 0 AEAEHO CNCCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C 643498566 352971950 /nfs/dbraw/zinc/97/19/50/352971950.db2.gz CCIOXVHWJGTXFF-QWRGUYRKSA-N 1 3 198.354 2.010 10 0 AEAEHO CNCCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C 643498564 352971958 /nfs/dbraw/zinc/97/19/58/352971958.db2.gz CCIOXVHWJGTXFF-GHMZBOCLSA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@H]([NH3+])C[C@@H](C)N[C@@H]1CC12CCCC2 643485334 352962727 /nfs/dbraw/zinc/96/27/27/352962727.db2.gz QFTCPTSDDIGFEY-HBNTYKKESA-N 1 3 196.338 2.035 10 0 AEAEHO C[NH+](C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N 23071355 343083362 /nfs/dbraw/zinc/08/33/62/343083362.db2.gz ATXGPTDCGGTJQZ-OUAUKWLOSA-N 1 3 198.354 2.090 10 0 AEAEHO C[NH+](C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N 23071353 343083580 /nfs/dbraw/zinc/08/35/80/343083580.db2.gz ATXGPTDCGGTJQZ-GARJFASQSA-N 1 3 198.354 2.090 10 0 AEAEHO C[NH2+]C1CCN(C2CCCCC2)CC1 31829576 343094337 /nfs/dbraw/zinc/09/43/37/343094337.db2.gz ZOCRGLWZDUENHF-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO CNC1CC[NH+](C2CCCCC2)CC1 31829576 343094340 /nfs/dbraw/zinc/09/43/40/343094340.db2.gz ZOCRGLWZDUENHF-UHFFFAOYSA-N 1 3 196.338 2.003 10 0 AEAEHO C[NH+](C)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1N 36879209 343152654 /nfs/dbraw/zinc/15/26/54/343152654.db2.gz ATXGPTDCGGTJQZ-GMTAPVOTSA-N 1 3 198.354 2.090 10 0 AEAEHO C[NH+](C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1N 36879211 343152741 /nfs/dbraw/zinc/15/27/41/343152741.db2.gz ATXGPTDCGGTJQZ-HBNTYKKESA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[N@@H+](C)[C@@H]1C[C@H](C)CC[C@H]1CN 37157444 343161408 /nfs/dbraw/zinc/16/14/08/343161408.db2.gz YECHGDXLVNFDOU-GRYCIOLGSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[N@H+](C)[C@H]1CCCCC[C@@H]1CN 37157450 343161571 /nfs/dbraw/zinc/16/15/71/343161571.db2.gz CECBRUSBUUFCJI-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@@H+](C)[C@H]1CCCCC[C@@H]1CN 37157450 343161573 /nfs/dbraw/zinc/16/15/73/343161573.db2.gz CECBRUSBUUFCJI-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1CN 37157440 343161704 /nfs/dbraw/zinc/16/17/04/343161704.db2.gz YECHGDXLVNFDOU-IJLUTSLNSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1CN 37157440 343161705 /nfs/dbraw/zinc/16/17/05/343161705.db2.gz YECHGDXLVNFDOU-IJLUTSLNSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H]1CCCN1CC[C@@H]1CCCC[NH2+]1 37911095 343180498 /nfs/dbraw/zinc/18/04/98/343180498.db2.gz GHQVDQKNCAECTJ-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H]1CCC[N@@H+]1CC[C@@H]1CCCCN1 37911095 343180499 /nfs/dbraw/zinc/18/04/99/343180499.db2.gz GHQVDQKNCAECTJ-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H]1CCC[N@H+]1CC[C@@H]1CCCCN1 37911095 343180501 /nfs/dbraw/zinc/18/05/01/343180501.db2.gz GHQVDQKNCAECTJ-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H]1CCCCN1CC[C@@H]1CCC[NH2+]1 42171738 343237421 /nfs/dbraw/zinc/23/74/21/343237421.db2.gz ZBOCIOKZFPCYAP-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)[N@H+](C)C[C@@H]1C[C@H](C)CC[C@@H]1N 53862318 343316580 /nfs/dbraw/zinc/31/65/80/343316580.db2.gz SUQLJLKTEFEARL-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[N@@H+](C)C[C@@H]1C[C@H](C)CC[C@@H]1N 53862318 343316581 /nfs/dbraw/zinc/31/65/81/343316581.db2.gz SUQLJLKTEFEARL-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)N(C)C[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 53862318 343316582 /nfs/dbraw/zinc/31/65/82/343316582.db2.gz SUQLJLKTEFEARL-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[N@H+](C)C[C@@H]1C[C@H](C)CC[C@H]1N 53862322 343317179 /nfs/dbraw/zinc/31/71/79/343317179.db2.gz SUQLJLKTEFEARL-GRYCIOLGSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[N@@H+](C)C[C@@H]1C[C@H](C)CC[C@H]1N 53862322 343317181 /nfs/dbraw/zinc/31/71/81/343317181.db2.gz SUQLJLKTEFEARL-GRYCIOLGSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)N(C)C[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 53862322 343317184 /nfs/dbraw/zinc/31/71/84/343317184.db2.gz SUQLJLKTEFEARL-GRYCIOLGSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)=CC[N@H+]1CCCC[C@H]1[C@@H](C)N 63195763 343405290 /nfs/dbraw/zinc/40/52/90/343405290.db2.gz NJDXYBUBWOSHRW-NEPJUHHUSA-N 1 3 196.338 2.154 10 0 AEAEHO CC(C)=CC[N@@H+]1CCCC[C@H]1[C@@H](C)N 63195763 343405292 /nfs/dbraw/zinc/40/52/92/343405292.db2.gz NJDXYBUBWOSHRW-NEPJUHHUSA-N 1 3 196.338 2.154 10 0 AEAEHO CC(C)=CC[N@H+]1CCCC[C@@H]1[C@@H](C)N 63195765 343405327 /nfs/dbraw/zinc/40/53/27/343405327.db2.gz NJDXYBUBWOSHRW-VXGBXAGGSA-N 1 3 196.338 2.154 10 0 AEAEHO CC(C)=CC[N@@H+]1CCCC[C@@H]1[C@@H](C)N 63195765 343405329 /nfs/dbraw/zinc/40/53/29/343405329.db2.gz NJDXYBUBWOSHRW-VXGBXAGGSA-N 1 3 196.338 2.154 10 0 AEAEHO CC(C)=CC[N@H+]1CCCC[C@@H]1[C@H](C)N 63195764 343405421 /nfs/dbraw/zinc/40/54/21/343405421.db2.gz NJDXYBUBWOSHRW-NWDGAFQWSA-N 1 3 196.338 2.154 10 0 AEAEHO CC(C)=CC[N@@H+]1CCCC[C@@H]1[C@H](C)N 63195764 343405422 /nfs/dbraw/zinc/40/54/22/343405422.db2.gz NJDXYBUBWOSHRW-NWDGAFQWSA-N 1 3 196.338 2.154 10 0 AEAEHO CC(C)=CC[N@H+]1CCCC[C@H]1[C@H](C)N 63195762 343405584 /nfs/dbraw/zinc/40/55/84/343405584.db2.gz NJDXYBUBWOSHRW-RYUDHWBXSA-N 1 3 196.338 2.154 10 0 AEAEHO CC(C)=CC[N@@H+]1CCCC[C@H]1[C@H](C)N 63195762 343405587 /nfs/dbraw/zinc/40/55/87/343405587.db2.gz NJDXYBUBWOSHRW-RYUDHWBXSA-N 1 3 196.338 2.154 10 0 AEAEHO CC(C)=CCN1CCC[C@@H]([C@@H](C)[NH3+])C1 69626910 343427349 /nfs/dbraw/zinc/42/73/49/343427349.db2.gz DDCXFRWUTBWJBI-VXGBXAGGSA-N 1 3 196.338 2.012 10 0 AEAEHO CC(C)=CCN1CCC[C@@H]([C@H](C)[NH3+])C1 69626907 343427454 /nfs/dbraw/zinc/42/74/54/343427454.db2.gz DDCXFRWUTBWJBI-NWDGAFQWSA-N 1 3 196.338 2.012 10 0 AEAEHO CC(C)=CCN1CCC[C@H]([C@H](C)[NH3+])C1 69626912 343427668 /nfs/dbraw/zinc/42/76/68/343427668.db2.gz DDCXFRWUTBWJBI-RYUDHWBXSA-N 1 3 196.338 2.012 10 0 AEAEHO CC(C)=CCN1CCC[C@H]([C@@H](C)[NH3+])C1 69626916 343427741 /nfs/dbraw/zinc/42/77/41/343427741.db2.gz DDCXFRWUTBWJBI-NEPJUHHUSA-N 1 3 196.338 2.012 10 0 AEAEHO C[C@@H](N)[C@H]1CCC[N@H+](CC(C)(C)C)C1 69724595 343437423 /nfs/dbraw/zinc/43/74/23/343437423.db2.gz JERUHDMPSYTJJX-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](N)[C@H]1CCC[N@@H+](CC(C)(C)C)C1 69724595 343437424 /nfs/dbraw/zinc/43/74/24/343437424.db2.gz JERUHDMPSYTJJX-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H](N)[C@@H]1CCC[N@H+](CC(C)(C)C)C1 69724588 343437585 /nfs/dbraw/zinc/43/75/85/343437585.db2.gz JERUHDMPSYTJJX-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H](N)[C@@H]1CCC[N@@H+](CC(C)(C)C)C1 69724588 343437587 /nfs/dbraw/zinc/43/75/87/343437587.db2.gz JERUHDMPSYTJJX-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](N)[C@@H]1CCC[N@H+](CC(C)(C)C)C1 69724590 343437842 /nfs/dbraw/zinc/43/78/42/343437842.db2.gz JERUHDMPSYTJJX-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](N)[C@@H]1CCC[N@@H+](CC(C)(C)C)C1 69724590 343437844 /nfs/dbraw/zinc/43/78/44/343437844.db2.gz JERUHDMPSYTJJX-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]1CC[C@H](CN)C[N@@H+]1CC(C)(C)C 69727692 343438013 /nfs/dbraw/zinc/43/80/13/343438013.db2.gz CRVBNUUMFHFCBZ-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]1CC[C@H](CN)C[N@H+]1CC(C)(C)C 69727692 343438016 /nfs/dbraw/zinc/43/80/16/343438016.db2.gz CRVBNUUMFHFCBZ-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@H](C)[N@@H+]1C[C@@H](CN)CC[C@@H]1C 69727964 343438116 /nfs/dbraw/zinc/43/81/16/343438116.db2.gz QCSPIDJKTVSRHY-SDDRHHMPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)[N@H+]1C[C@@H](CN)CC[C@@H]1C 69727964 343438120 /nfs/dbraw/zinc/43/81/20/343438120.db2.gz QCSPIDJKTVSRHY-SDDRHHMPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)=CCN1C[C@H](C[NH3+])CC[C@@H]1C 69729032 343438320 /nfs/dbraw/zinc/43/83/20/343438320.db2.gz QVGYBWMKKQEPTP-RYUDHWBXSA-N 1 3 196.338 2.012 10 0 AEAEHO CC(C)=CC[N@H+]1C[C@H](CN)CC[C@@H]1C 69729032 343438323 /nfs/dbraw/zinc/43/83/23/343438323.db2.gz QVGYBWMKKQEPTP-RYUDHWBXSA-N 1 3 196.338 2.012 10 0 AEAEHO CC(C)=CC[N@@H+]1C[C@H](CN)CC[C@@H]1C 69729032 343438326 /nfs/dbraw/zinc/43/83/26/343438326.db2.gz QVGYBWMKKQEPTP-RYUDHWBXSA-N 1 3 196.338 2.012 10 0 AEAEHO CC(C)[C@H](C)[N@@H+]1C[C@@H](CN)CC[C@H]1C 69727961 343438355 /nfs/dbraw/zinc/43/83/55/343438355.db2.gz QCSPIDJKTVSRHY-GRYCIOLGSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)[N@H+]1C[C@@H](CN)CC[C@H]1C 69727961 343438356 /nfs/dbraw/zinc/43/83/56/343438356.db2.gz QCSPIDJKTVSRHY-GRYCIOLGSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[C@H](C)[N@@H+]1C[C@H](CN)CC[C@H]1C 69727966 343438417 /nfs/dbraw/zinc/43/84/17/343438417.db2.gz QCSPIDJKTVSRHY-WOPDTQHZSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)=CC[N@@H+]1C[C@H](CN)CC[C@H]1C 69729030 343438492 /nfs/dbraw/zinc/43/84/92/343438492.db2.gz QVGYBWMKKQEPTP-NEPJUHHUSA-N 1 3 196.338 2.012 10 0 AEAEHO CC(C)=CCN1C[C@H](C[NH3+])CC[C@H]1C 69729030 343438487 /nfs/dbraw/zinc/43/84/87/343438487.db2.gz QVGYBWMKKQEPTP-NEPJUHHUSA-N 1 3 196.338 2.012 10 0 AEAEHO CC(C)=CC[N@H+]1C[C@H](CN)CC[C@H]1C 69729030 343438490 /nfs/dbraw/zinc/43/84/90/343438490.db2.gz QVGYBWMKKQEPTP-NEPJUHHUSA-N 1 3 196.338 2.012 10 0 AEAEHO CC(C)=CCN1C[C@@H](C[NH3+])CC[C@@H]1C 69729027 343438520 /nfs/dbraw/zinc/43/85/20/343438520.db2.gz QVGYBWMKKQEPTP-NWDGAFQWSA-N 1 3 196.338 2.012 10 0 AEAEHO CC(C)=CC[N@H+]1C[C@@H](CN)CC[C@@H]1C 69729027 343438521 /nfs/dbraw/zinc/43/85/21/343438521.db2.gz QVGYBWMKKQEPTP-NWDGAFQWSA-N 1 3 196.338 2.012 10 0 AEAEHO CC(C)=CC[N@@H+]1C[C@@H](CN)CC[C@@H]1C 69729027 343438523 /nfs/dbraw/zinc/43/85/23/343438523.db2.gz QVGYBWMKKQEPTP-NWDGAFQWSA-N 1 3 196.338 2.012 10 0 AEAEHO C[C@H]1CC[C@@H](CN)C[N@@H+]1CC(C)(C)C 69727706 343438564 /nfs/dbraw/zinc/43/85/64/343438564.db2.gz CRVBNUUMFHFCBZ-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H]1CC[C@@H](CN)C[N@H+]1CC(C)(C)C 69727706 343438566 /nfs/dbraw/zinc/43/85/66/343438566.db2.gz CRVBNUUMFHFCBZ-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1CC(C)(C)C 69727699 343438594 /nfs/dbraw/zinc/43/85/94/343438594.db2.gz CRVBNUUMFHFCBZ-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]1CC[C@@H](CN)C[N@H+]1CC(C)(C)C 69727699 343438596 /nfs/dbraw/zinc/43/85/96/343438596.db2.gz CRVBNUUMFHFCBZ-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(C)[N@H+](C)[C@H]1CCNC[C@@H]1C 70046264 343469210 /nfs/dbraw/zinc/46/92/10/343469210.db2.gz FKDGMXWNCALNRX-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(C)(C)[N@@H+](C)[C@H]1CCNC[C@@H]1C 70046264 343469213 /nfs/dbraw/zinc/46/92/13/343469213.db2.gz FKDGMXWNCALNRX-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN(C)C[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] 70655131 343520934 /nfs/dbraw/zinc/52/09/34/343520934.db2.gz KVCQBYREJTTYDD-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(C)C[C@H]1CC(C)(C)CC[C@@H]1[NH3+] 70655132 343521057 /nfs/dbraw/zinc/52/10/57/343521057.db2.gz KVCQBYREJTTYDD-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1CN 84218745 343631987 /nfs/dbraw/zinc/63/19/87/343631987.db2.gz QAVJEBNQBWKGBG-TUAOUCFPSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CN 84218737 343632310 /nfs/dbraw/zinc/63/23/10/343632310.db2.gz QAVJEBNQBWKGBG-QJPTWQEYSA-N 1 3 198.354 2.138 10 0 AEAEHO C[NH2+][C@H]1CCC[C@H](N(C)C2CCC2)C1 127309952 343809629 /nfs/dbraw/zinc/80/96/29/343809629.db2.gz PNENASZSXZKRFE-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@H]1CCC[C@H]([N@H+](C)C2CCC2)C1 127309952 343809631 /nfs/dbraw/zinc/80/96/31/343809631.db2.gz PNENASZSXZKRFE-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@H]1CCC[C@H]([N@@H+](C)C2CCC2)C1 127309952 343809634 /nfs/dbraw/zinc/80/96/34/343809634.db2.gz PNENASZSXZKRFE-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO C[NH2+][C@@H]1CCC[C@@H](N(C)C2CCC2)C1 127310203 343809864 /nfs/dbraw/zinc/80/98/64/343809864.db2.gz PNENASZSXZKRFE-ZYHUDNBSSA-N 1 3 196.338 2.001 10 0 AEAEHO C[NH2+][C@@H]1CCC[C@H](N(C)C2CCC2)C1 127309728 343809881 /nfs/dbraw/zinc/80/98/81/343809881.db2.gz PNENASZSXZKRFE-PWSUYJOCSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@@H]1CCC[C@H]([N@H+](C)C2CCC2)C1 127309728 343809882 /nfs/dbraw/zinc/80/98/82/343809882.db2.gz PNENASZSXZKRFE-PWSUYJOCSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@@H]1CCC[C@H]([N@@H+](C)C2CCC2)C1 127309728 343809883 /nfs/dbraw/zinc/80/98/83/343809883.db2.gz PNENASZSXZKRFE-PWSUYJOCSA-N 1 3 196.338 2.001 10 0 AEAEHO C[NH2+][C@H]1CCC[C@@H](N(C)C2CCC2)C1 127310452 343809916 /nfs/dbraw/zinc/80/99/16/343809916.db2.gz PNENASZSXZKRFE-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@H]1CCC[C@@H]([N@H+](C)C2CCC2)C1 127310452 343809917 /nfs/dbraw/zinc/80/99/17/343809917.db2.gz PNENASZSXZKRFE-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@H]1CCC[C@@H]([N@@H+](C)C2CCC2)C1 127310452 343809920 /nfs/dbraw/zinc/80/99/20/343809920.db2.gz PNENASZSXZKRFE-CMPLNLGQSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@]1(CNC2CCCC2)CCCC[NH2+]1 127358069 343810198 /nfs/dbraw/zinc/81/01/98/343810198.db2.gz NOEZXYGTFVPDNA-GFCCVEGCSA-N 1 3 196.338 2.051 10 0 AEAEHO C[C@@]1(CNC2CCCC2)CCCC[NH2+]1 127358298 343810575 /nfs/dbraw/zinc/81/05/75/343810575.db2.gz NOEZXYGTFVPDNA-LBPRGKRZSA-N 1 3 196.338 2.051 10 0 AEAEHO CN(C)[C@@H]1CC[C@H]([NH2+]C2CCCC2)C1 128218214 343826339 /nfs/dbraw/zinc/82/63/39/343826339.db2.gz SXPVIGJHKSMIGW-NWDGAFQWSA-N 1 3 196.338 2.001 10 0 AEAEHO CN(C)[C@@H]1CC[C@@H]([NH2+]C2CCCC2)C1 128218625 343826425 /nfs/dbraw/zinc/82/64/25/343826425.db2.gz SXPVIGJHKSMIGW-VXGBXAGGSA-N 1 3 196.338 2.001 10 0 AEAEHO CN(C)[C@H]1CC[C@@H]([NH2+]C2CCCC2)C1 128218857 343826514 /nfs/dbraw/zinc/82/65/14/343826514.db2.gz SXPVIGJHKSMIGW-NEPJUHHUSA-N 1 3 196.338 2.001 10 0 AEAEHO CN(C)[C@H]1CC[C@H]([NH2+]C2CCCC2)C1 128218422 343826578 /nfs/dbraw/zinc/82/65/78/343826578.db2.gz SXPVIGJHKSMIGW-RYUDHWBXSA-N 1 3 196.338 2.001 10 0 AEAEHO C1CCC(N[C@H]2CCCC[NH2+]C2)CC1 129805543 343856493 /nfs/dbraw/zinc/85/64/93/343856493.db2.gz LPSCCNJTUNAMBR-LBPRGKRZSA-N 1 3 196.338 2.051 10 0 AEAEHO C1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 129805336 343856585 /nfs/dbraw/zinc/85/65/85/343856585.db2.gz LPSCCNJTUNAMBR-GFCCVEGCSA-N 1 3 196.338 2.051 10 0 AEAEHO C[C@]1(C[NH2+]C2CCCC2)CCC[C@H]1N 134951293 343951925 /nfs/dbraw/zinc/95/19/25/343951925.db2.gz CUWZGWUGDSVFOP-VXGBXAGGSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@@]1(C[NH2+]C2CCCC2)CCC[C@@H]1N 134951272 343952007 /nfs/dbraw/zinc/95/20/07/343952007.db2.gz CUWZGWUGDSVFOP-RYUDHWBXSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@@]1(C[NH2+]C2CCCC2)CCC[C@H]1N 134951313 343952102 /nfs/dbraw/zinc/95/21/02/343952102.db2.gz CUWZGWUGDSVFOP-NEPJUHHUSA-N 1 3 196.338 2.036 10 0 AEAEHO CCCN(C)CCC[N@H+](C)CCC 138230371 343988509 /nfs/dbraw/zinc/98/85/09/343988509.db2.gz ZAXQEJDKAUKQLK-UHFFFAOYSA-N 1 3 186.343 2.060 10 0 AEAEHO CCCN(C)CCC[N@@H+](C)CCC 138230371 343988515 /nfs/dbraw/zinc/98/85/15/343988515.db2.gz ZAXQEJDKAUKQLK-UHFFFAOYSA-N 1 3 186.343 2.060 10 0 AEAEHO CC1(C)CCC[C@H]([NH2+]C2CC(N)C2)C1 149421424 344065798 /nfs/dbraw/zinc/06/57/98/344065798.db2.gz VZSXRNKDTRSXRA-YVNMAJEFSA-N 1 3 196.338 2.035 10 0 AEAEHO CC1(C)CCC[C@@H]([NH2+]C2CC(N)C2)C1 149421614 344065891 /nfs/dbraw/zinc/06/58/91/344065891.db2.gz VZSXRNKDTRSXRA-HSOILSAZSA-N 1 3 196.338 2.035 10 0 AEAEHO C[C@@H]([NH2+][C@@H]1CCCNCC1)C(C)(C)C 162695758 344212249 /nfs/dbraw/zinc/21/22/49/344212249.db2.gz ADGLFWAMFKNCAT-GHMZBOCLSA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@H]([NH2+][C@@H]1CCCNCC1)C(C)(C)C 162695665 344212253 /nfs/dbraw/zinc/21/22/53/344212253.db2.gz ADGLFWAMFKNCAT-WDEREUQCSA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@H]([NH2+][C@H]1CCCNCC1)C(C)(C)C 162695888 344212269 /nfs/dbraw/zinc/21/22/69/344212269.db2.gz ADGLFWAMFKNCAT-QWRGUYRKSA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@H](C[C@H]1CCCC[NH2+]1)N1CCCC1 166208940 344276260 /nfs/dbraw/zinc/27/62/60/344276260.db2.gz MAHNHLWRIFFZFZ-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H](C[C@H]1CCCCN1)[NH+]1CCCC1 166208807 344276320 /nfs/dbraw/zinc/27/63/20/344276320.db2.gz MAHNHLWRIFFZFZ-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H](C[C@@H]1CCCC[NH2+]1)N1CCCC1 166208702 344276429 /nfs/dbraw/zinc/27/64/29/344276429.db2.gz MAHNHLWRIFFZFZ-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H](C[C@@H]1CCCCN1)[NH+]1CCCC1 166208702 344276431 /nfs/dbraw/zinc/27/64/31/344276431.db2.gz MAHNHLWRIFFZFZ-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H](C[C@@H]1CCCC[NH2+]1)N1CCCC1 166208596 344276551 /nfs/dbraw/zinc/27/65/51/344276551.db2.gz MAHNHLWRIFFZFZ-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H](C[C@@H]1CCCCN1)[NH+]1CCCC1 166208596 344276552 /nfs/dbraw/zinc/27/65/52/344276552.db2.gz MAHNHLWRIFFZFZ-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO C[NH2+]C1(C)CCN(CC(C)(C)C)CC1 168426344 344330742 /nfs/dbraw/zinc/33/07/42/344330742.db2.gz XMIAOPMRXHYZJN-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CNC1(C)CC[NH+](CC(C)(C)C)CC1 168426344 344330743 /nfs/dbraw/zinc/33/07/43/344330743.db2.gz XMIAOPMRXHYZJN-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO C[NH2+]C1(C)CCN([C@@H](C)C(C)C)CC1 168430353 344330856 /nfs/dbraw/zinc/33/08/56/344330856.db2.gz ULTAMIRSIDFKBD-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CNC1(C)CC[NH+]([C@@H](C)C(C)C)CC1 168430353 344330857 /nfs/dbraw/zinc/33/08/57/344330857.db2.gz ULTAMIRSIDFKBD-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 169230830 344349289 /nfs/dbraw/zinc/34/92/89/344349289.db2.gz YEGCGYFQKOVTNL-NEPJUHHUSA-N 1 3 190.290 2.129 10 0 AEAEHO CC(C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 169230759 344349303 /nfs/dbraw/zinc/34/93/03/344349303.db2.gz YEGCGYFQKOVTNL-VXGBXAGGSA-N 1 3 190.290 2.129 10 0 AEAEHO CC(C)N[C@H]1C[C@H]([NH3+])c2ccccc21 169230687 344349550 /nfs/dbraw/zinc/34/95/50/344349550.db2.gz YEGCGYFQKOVTNL-RYUDHWBXSA-N 1 3 190.290 2.129 10 0 AEAEHO CC(C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 169230603 344349629 /nfs/dbraw/zinc/34/96/29/344349629.db2.gz YEGCGYFQKOVTNL-NWDGAFQWSA-N 1 3 190.290 2.129 10 0 AEAEHO C[C@H]1C[C@H](C)CCN1CCC(C)(C)[NH3+] 217450021 344401845 /nfs/dbraw/zinc/40/18/45/344401845.db2.gz BFOACAVOJSCQLM-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CC[N@H+](CCC(C)(C)N)[C@@H](C)C1 217450090 344401726 /nfs/dbraw/zinc/40/17/26/344401726.db2.gz BFOACAVOJSCQLM-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CC[N@@H+](CCC(C)(C)N)[C@@H](C)C1 217450090 344401729 /nfs/dbraw/zinc/40/17/29/344401729.db2.gz BFOACAVOJSCQLM-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CCN(CCC(C)(C)[NH3+])[C@@H](C)C1 217450090 344401731 /nfs/dbraw/zinc/40/17/31/344401731.db2.gz BFOACAVOJSCQLM-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1C[C@H](C)CC[N@@H+]1CCC(C)(C)N 217450021 344401843 /nfs/dbraw/zinc/40/18/43/344401843.db2.gz BFOACAVOJSCQLM-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1C[C@H](C)CC[N@H+]1CCC(C)(C)N 217450021 344401844 /nfs/dbraw/zinc/40/18/44/344401844.db2.gz BFOACAVOJSCQLM-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)C[C@H](C)[N@@H+]1CCCCC[C@@H]1C 218665194 344414726 /nfs/dbraw/zinc/41/47/26/344414726.db2.gz VQAQFOQVMGMQLR-SRVKXCTJSA-N 1 3 198.354 2.377 10 0 AEAEHO C[C@H](N)C[C@H](C)[N@H+]1CCCCC[C@@H]1C 218665194 344414727 /nfs/dbraw/zinc/41/47/27/344414727.db2.gz VQAQFOQVMGMQLR-SRVKXCTJSA-N 1 3 198.354 2.377 10 0 AEAEHO C[C@H](N)C[C@@H](C)[N@@H+]1CCCCC[C@@H]1C 218665125 344414840 /nfs/dbraw/zinc/41/48/40/344414840.db2.gz VQAQFOQVMGMQLR-SDDRHHMPSA-N 1 3 198.354 2.377 10 0 AEAEHO C[C@H](N)C[C@@H](C)[N@H+]1CCCCC[C@@H]1C 218665125 344414841 /nfs/dbraw/zinc/41/48/41/344414841.db2.gz VQAQFOQVMGMQLR-SDDRHHMPSA-N 1 3 198.354 2.377 10 0 AEAEHO C[C@H](N)C[C@H](C)[N@@H+]1CC[C@@H](C)C[C@@H]1C 218652142 344414853 /nfs/dbraw/zinc/41/48/53/344414853.db2.gz CVCYMQBDSQGPNA-RHYQMDGZSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H](N)C[C@H](C)[N@H+]1CC[C@@H](C)C[C@@H]1C 218652142 344414856 /nfs/dbraw/zinc/41/48/56/344414856.db2.gz CVCYMQBDSQGPNA-RHYQMDGZSA-N 1 3 198.354 2.233 10 0 AEAEHO CCC[C@H](C)[N@@H+]1CCCN[C@@H](C)CC1 219626646 344426065 /nfs/dbraw/zinc/42/60/65/344426065.db2.gz XYUYWJUXBVAUNW-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](C)[N@H+]1CCCN[C@@H](C)CC1 219626646 344426067 /nfs/dbraw/zinc/42/60/67/344426067.db2.gz XYUYWJUXBVAUNW-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO C[C@H]1CN[C@H](C)CC[N@@H+](C(C)(C)C)C1 219612347 344426083 /nfs/dbraw/zinc/42/60/83/344426083.db2.gz OTNCRTYTCODVQX-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@H]1CN[C@H](C)CC[N@H+](C(C)(C)C)C1 219612347 344426086 /nfs/dbraw/zinc/42/60/86/344426086.db2.gz OTNCRTYTCODVQX-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[C@@H](C)[N@@H+]1CCCN[C@@H](C)CC1 219607810 344426159 /nfs/dbraw/zinc/42/61/59/344426159.db2.gz QLSSHKPYDKOSJB-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[C@@H](C)[N@H+]1CCCN[C@@H](C)CC1 219607810 344426162 /nfs/dbraw/zinc/42/61/62/344426162.db2.gz QLSSHKPYDKOSJB-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCN1CC[C@H](C)[NH2+][C@@H](CC)CC1 219642745 344426180 /nfs/dbraw/zinc/42/61/80/344426180.db2.gz LBMQZNKFXXQTHI-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+]1CC[C@H](C)N[C@@H](CC)CC1 219642745 344426183 /nfs/dbraw/zinc/42/61/83/344426183.db2.gz LBMQZNKFXXQTHI-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@H+]1CC[C@H](C)N[C@@H](CC)CC1 219642745 344426187 /nfs/dbraw/zinc/42/61/87/344426187.db2.gz LBMQZNKFXXQTHI-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCN1CC[C@H](CC)[NH2+]C[C@@H](C)C1 219642891 344426196 /nfs/dbraw/zinc/42/61/96/344426196.db2.gz AOEGMMRCUMDTOU-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@@H+]1CC[C@H](CC)NC[C@@H](C)C1 219642891 344426199 /nfs/dbraw/zinc/42/61/99/344426199.db2.gz AOEGMMRCUMDTOU-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@H+]1CC[C@H](CC)NC[C@@H](C)C1 219642891 344426201 /nfs/dbraw/zinc/42/62/01/344426201.db2.gz AOEGMMRCUMDTOU-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@@H]1CCN(C(C)C)CC[C@@H](C)[NH2+]1 219613401 344426243 /nfs/dbraw/zinc/42/62/43/344426243.db2.gz NYUCELZOXRCFQM-VXGBXAGGSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H]1CC[N@@H+](C(C)C)CC[C@@H](C)N1 219613401 344426245 /nfs/dbraw/zinc/42/62/45/344426245.db2.gz NYUCELZOXRCFQM-VXGBXAGGSA-N 1 3 198.354 2.247 10 0 AEAEHO CCCN1CC[C@H](CC)[NH2+][C@H](C)CC1 219642665 344426255 /nfs/dbraw/zinc/42/62/55/344426255.db2.gz LBMQZNKFXXQTHI-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@H+]1CC[C@H](CC)N[C@H](C)CC1 219642665 344426256 /nfs/dbraw/zinc/42/62/56/344426256.db2.gz LBMQZNKFXXQTHI-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@@H+]1CC[C@H](CC)N[C@H](C)CC1 219642665 344426258 /nfs/dbraw/zinc/42/62/58/344426258.db2.gz LBMQZNKFXXQTHI-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@H](C)[N@@H+]1CCCNC[C@@H](C)C1 219627403 344426329 /nfs/dbraw/zinc/42/63/29/344426329.db2.gz FQPNIQZRQLAXRB-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](C)[N@H+]1CCCNC[C@@H](C)C1 219627403 344426330 /nfs/dbraw/zinc/42/63/30/344426330.db2.gz FQPNIQZRQLAXRB-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCN1CC[C@@H](CC)[NH2+]C[C@@H](C)C1 219642819 344426364 /nfs/dbraw/zinc/42/63/64/344426364.db2.gz AOEGMMRCUMDTOU-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@@H+]1CC[C@@H](CC)NC[C@@H](C)C1 219642819 344426365 /nfs/dbraw/zinc/42/63/65/344426365.db2.gz AOEGMMRCUMDTOU-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[N@H+]1CC[C@@H](CC)NC[C@@H](C)C1 219642819 344426366 /nfs/dbraw/zinc/42/63/66/344426366.db2.gz AOEGMMRCUMDTOU-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](C)[N@@H+]1CCCN[C@@H](C)CC1 219626574 344426398 /nfs/dbraw/zinc/42/63/98/344426398.db2.gz XYUYWJUXBVAUNW-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@@H](C)[N@H+]1CCCN[C@@H](C)CC1 219626574 344426400 /nfs/dbraw/zinc/42/64/00/344426400.db2.gz XYUYWJUXBVAUNW-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@@H](C)[N@@H+]1CCCNC[C@@H](C)C1 219627345 344426447 /nfs/dbraw/zinc/42/64/47/344426447.db2.gz FQPNIQZRQLAXRB-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](C)[N@H+]1CCCNC[C@@H](C)C1 219627345 344426449 /nfs/dbraw/zinc/42/64/49/344426449.db2.gz FQPNIQZRQLAXRB-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)[N@@H+]1CC[C@@H](C)NC[C@@H](C)C1 219634326 344426452 /nfs/dbraw/zinc/42/64/52/344426452.db2.gz VQMQVACFGGXUKL-UTUOFQBUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@H+]1CC[C@@H](C)NC[C@@H](C)C1 219634326 344426454 /nfs/dbraw/zinc/42/64/54/344426454.db2.gz VQMQVACFGGXUKL-UTUOFQBUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H]1CCN(C(C)C)CC[C@@H](C)[NH2+]1 219613457 344426463 /nfs/dbraw/zinc/42/64/63/344426463.db2.gz NYUCELZOXRCFQM-NEPJUHHUSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H]1CC[N@@H+](C(C)C)CC[C@@H](C)N1 219613457 344426464 /nfs/dbraw/zinc/42/64/64/344426464.db2.gz NYUCELZOXRCFQM-NEPJUHHUSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H]1CC[N@H+](C(C)C)CC[C@@H](C)N1 219613457 344426466 /nfs/dbraw/zinc/42/64/66/344426466.db2.gz NYUCELZOXRCFQM-NEPJUHHUSA-N 1 3 198.354 2.247 10 0 AEAEHO C[C@H]1CN[C@@H](C)CC[N@@H+](C(C)(C)C)C1 219612297 344426470 /nfs/dbraw/zinc/42/64/70/344426470.db2.gz OTNCRTYTCODVQX-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@H]1CN[C@@H](C)CC[N@H+](C(C)(C)C)C1 219612297 344426471 /nfs/dbraw/zinc/42/64/71/344426471.db2.gz OTNCRTYTCODVQX-QWRGUYRKSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)C[C@H](C)[N@@H+]1CC[C@@H](N)[C@@H](C)C1 219800677 344428298 /nfs/dbraw/zinc/42/82/98/344428298.db2.gz MWISFKFPJXZKJJ-SDDRHHMPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)C[C@H](C)[N@H+]1CC[C@@H](N)[C@@H](C)C1 219800677 344428300 /nfs/dbraw/zinc/42/83/00/344428300.db2.gz MWISFKFPJXZKJJ-SDDRHHMPSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@H](C)[C@H](C)[N@@H+]1CC[C@@H](N)[C@@H](C)C1 219841625 344429004 /nfs/dbraw/zinc/42/90/04/344429004.db2.gz FMFUNXDPWJFOFC-FIQHERPVSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@H](C)[C@H](C)[N@H+]1CC[C@@H](N)[C@@H](C)C1 219841625 344429005 /nfs/dbraw/zinc/42/90/05/344429005.db2.gz FMFUNXDPWJFOFC-FIQHERPVSA-N 1 3 198.354 2.090 10 0 AEAEHO CCC(C)(C)C[N@@H+]1CC[C@@H](N)[C@@H](C)C1 220183440 344430881 /nfs/dbraw/zinc/43/08/81/344430881.db2.gz AHVRVRQKRNUEOW-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(C)C[N@H+]1CC[C@@H](N)[C@@H](C)C1 220183440 344430883 /nfs/dbraw/zinc/43/08/83/344430883.db2.gz AHVRVRQKRNUEOW-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(C)CN1CC[C@@H]([NH3+])[C@@H](C)C1 220183440 344430885 /nfs/dbraw/zinc/43/08/85/344430885.db2.gz AHVRVRQKRNUEOW-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(C)C[N@@H+]1CC[C@H](N)[C@@H](C)C1 220183510 344431128 /nfs/dbraw/zinc/43/11/28/344431128.db2.gz AHVRVRQKRNUEOW-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(C)C[N@H+]1CC[C@H](N)[C@@H](C)C1 220183510 344431130 /nfs/dbraw/zinc/43/11/30/344431130.db2.gz AHVRVRQKRNUEOW-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(C)CN1CC[C@H]([NH3+])[C@@H](C)C1 220183510 344431132 /nfs/dbraw/zinc/43/11/32/344431132.db2.gz AHVRVRQKRNUEOW-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H]1C[C@H](C)CC[N@H+]1[C@H](C)[C@H](C)CN 222136073 344449197 /nfs/dbraw/zinc/44/91/97/344449197.db2.gz OGUBKIYIDKQTCV-WISYIIOYSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H]1C[C@H](C)CC[N@@H+]1[C@H](C)[C@H](C)CN 222136073 344449201 /nfs/dbraw/zinc/44/92/01/344449201.db2.gz OGUBKIYIDKQTCV-WISYIIOYSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@@H](CN)[C@@H](C)[N@@H+]1CC[C@@H](C)C[C@@H]1C 222136030 344449382 /nfs/dbraw/zinc/44/93/82/344449382.db2.gz OGUBKIYIDKQTCV-NOOOWODRSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@@H](CN)[C@@H](C)[N@H+]1CC[C@@H](C)C[C@@H]1C 222136030 344449385 /nfs/dbraw/zinc/44/93/85/344449385.db2.gz OGUBKIYIDKQTCV-NOOOWODRSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H]1CCCCC[N@H+]1[C@@H](C)[C@H](C)CN 222161702 344449712 /nfs/dbraw/zinc/44/97/12/344449712.db2.gz QXFSTFFZKLTKAK-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CCCCC[N@@H+]1[C@@H](C)[C@H](C)CN 222161702 344449715 /nfs/dbraw/zinc/44/97/15/344449715.db2.gz QXFSTFFZKLTKAK-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CCCCC[N@H+]1[C@H](C)[C@H](C)CN 222161640 344449962 /nfs/dbraw/zinc/44/99/62/344449962.db2.gz QXFSTFFZKLTKAK-GRYCIOLGSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CCCCC[N@@H+]1[C@H](C)[C@H](C)CN 222161640 344449963 /nfs/dbraw/zinc/44/99/63/344449963.db2.gz QXFSTFFZKLTKAK-GRYCIOLGSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[N@H+](C1CCCC1)[C@@H]1CC[C@@H](N)C1 223121000 344456594 /nfs/dbraw/zinc/45/65/94/344456594.db2.gz RKDFUXQNCYERDA-ZYHUDNBSSA-N 1 3 196.338 2.131 10 0 AEAEHO CC[N@@H+](C1CCCC1)[C@@H]1CC[C@@H](N)C1 223121000 344456595 /nfs/dbraw/zinc/45/65/95/344456595.db2.gz RKDFUXQNCYERDA-ZYHUDNBSSA-N 1 3 196.338 2.131 10 0 AEAEHO C[N@H+](C1CCCC1)[C@@H]1CCC[C@@H](N)C1 223116381 344456680 /nfs/dbraw/zinc/45/66/80/344456680.db2.gz ZOQJLWSRYUOZCH-ZYHUDNBSSA-N 1 3 196.338 2.131 10 0 AEAEHO C[N@@H+](C1CCCC1)[C@@H]1CCC[C@@H](N)C1 223116381 344456683 /nfs/dbraw/zinc/45/66/83/344456683.db2.gz ZOQJLWSRYUOZCH-ZYHUDNBSSA-N 1 3 196.338 2.131 10 0 AEAEHO C[N@H+](C1CCCC1)[C@H]1CCC[C@@H](N)C1 223116435 344456796 /nfs/dbraw/zinc/45/67/96/344456796.db2.gz ZOQJLWSRYUOZCH-PWSUYJOCSA-N 1 3 196.338 2.131 10 0 AEAEHO C[N@@H+](C1CCCC1)[C@H]1CCC[C@@H](N)C1 223116435 344456797 /nfs/dbraw/zinc/45/67/97/344456797.db2.gz ZOQJLWSRYUOZCH-PWSUYJOCSA-N 1 3 196.338 2.131 10 0 AEAEHO C[C@H]([N@H+](C)[C@@H]1CC[C@@H](N)C1)C(C)(C)C 223159027 344457247 /nfs/dbraw/zinc/45/72/47/344457247.db2.gz ZCQMHSOUMBZLKQ-HBNTYKKESA-N 1 3 198.354 2.233 10 0 AEAEHO C[N@H+](CC(C)(C)C)[C@@H]1CCC[C@@H](N)C1 223162531 344457318 /nfs/dbraw/zinc/45/73/18/344457318.db2.gz NEYJRQSPSQYBQT-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO C[N@@H+](CC(C)(C)C)[C@@H]1CCC[C@@H](N)C1 223162531 344457319 /nfs/dbraw/zinc/45/73/19/344457319.db2.gz NEYJRQSPSQYBQT-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO C[N@H+](CC(C)(C)C)[C@H]1CCC[C@@H](N)C1 223162594 344457683 /nfs/dbraw/zinc/45/76/83/344457683.db2.gz NEYJRQSPSQYBQT-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO C[N@@H+](CC(C)(C)C)[C@H]1CCC[C@@H](N)C1 223162594 344457685 /nfs/dbraw/zinc/45/76/85/344457685.db2.gz NEYJRQSPSQYBQT-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CC1(C)CCC[N@H+]1[C@H]1CCC[C@@H](N)C1 223176596 344458064 /nfs/dbraw/zinc/45/80/64/344458064.db2.gz ZDIIHVKSJGZRCU-MNOVXSKESA-N 1 3 196.338 2.131 10 0 AEAEHO CC1(C)CCC[N@@H+]1[C@@H]1CCC[C@@H](N)C1 223176535 344458181 /nfs/dbraw/zinc/45/81/81/344458181.db2.gz ZDIIHVKSJGZRCU-GHMZBOCLSA-N 1 3 196.338 2.131 10 0 AEAEHO CCC(C)(C)[N@H+](C)[C@@H]1CCC[C@@H](N)C1 223182608 344458240 /nfs/dbraw/zinc/45/82/40/344458240.db2.gz BSTVISXRZUDHOT-GHMZBOCLSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC(C)(C)[N@@H+](C)[C@@H]1CCC[C@@H](N)C1 223182608 344458241 /nfs/dbraw/zinc/45/82/41/344458241.db2.gz BSTVISXRZUDHOT-GHMZBOCLSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC(C)(C)[N@H+](C)[C@H]1CCC[C@@H](N)C1 223182671 344458298 /nfs/dbraw/zinc/45/82/98/344458298.db2.gz BSTVISXRZUDHOT-MNOVXSKESA-N 1 3 198.354 2.377 10 0 AEAEHO CCC(C)(C)[N@@H+](C)[C@H]1CCC[C@@H](N)C1 223182671 344458300 /nfs/dbraw/zinc/45/83/00/344458300.db2.gz BSTVISXRZUDHOT-MNOVXSKESA-N 1 3 198.354 2.377 10 0 AEAEHO CN[C@@H]1CC[C@@H]([N@@H+]2CCCC2(C)C)C1 225730324 344485242 /nfs/dbraw/zinc/48/52/42/344485242.db2.gz RVOVEADAMHRTAG-GHMZBOCLSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@@H]1CC[C@@H]([N@H+]2CCCC2(C)C)C1 225730324 344485245 /nfs/dbraw/zinc/48/52/45/344485245.db2.gz RVOVEADAMHRTAG-GHMZBOCLSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@@H]1CC[C@H]([N@@H+]2CCCC2(C)C)C1 225730354 344485390 /nfs/dbraw/zinc/48/53/90/344485390.db2.gz RVOVEADAMHRTAG-MNOVXSKESA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@@H]1CC[C@H]([N@H+]2CCCC2(C)C)C1 225730354 344485391 /nfs/dbraw/zinc/48/53/91/344485391.db2.gz RVOVEADAMHRTAG-MNOVXSKESA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@H](N)C(C)(C)C[N@@H+]1CCC[C@@H](C)C1 227285768 344527272 /nfs/dbraw/zinc/52/72/72/344527272.db2.gz CLBJQJBPENWHOV-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H](N)C(C)(C)C[N@H+]1CCC[C@@H](C)C1 227285768 344527273 /nfs/dbraw/zinc/52/72/73/344527273.db2.gz CLBJQJBPENWHOV-MNOVXSKESA-N 1 3 198.354 2.092 10 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C[C@@H](C[N@H+]1CCC[C@@H](C)CC1)[C@@H](C)N 228599940 344564174 /nfs/dbraw/zinc/56/41/74/344564174.db2.gz VRMOIDUJMYVWQL-GRYCIOLGSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H](N)[C@H](C)C[N@@H+]1CCCCC[C@@H]1C 228600524 344564226 /nfs/dbraw/zinc/56/42/26/344564226.db2.gz KNBOJPXOEOZBQD-WOPDTQHZSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](C[N@@H+]1CC[C@@H](C)C[C@@H]1C)[C@@H](C)N 228598503 344564286 /nfs/dbraw/zinc/56/42/86/344564286.db2.gz OFYUNLVFULTEPM-NOOOWODRSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@@H](C[N@H+]1CC[C@@H](C)C[C@@H]1C)[C@@H](C)N 228598503 344564289 /nfs/dbraw/zinc/56/42/89/344564289.db2.gz OFYUNLVFULTEPM-NOOOWODRSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](N)[C@H](C)C[N@@H+]1CCC[C@@H](C)CC1 228599948 344564354 /nfs/dbraw/zinc/56/43/54/344564354.db2.gz VRMOIDUJMYVWQL-UTUOFQBUSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H](N)[C@H](C)C[N@H+]1CCC[C@@H](C)CC1 228599948 344564357 /nfs/dbraw/zinc/56/43/57/344564357.db2.gz VRMOIDUJMYVWQL-UTUOFQBUSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@H](N)[C@@H](C)C[N@@H+]1CC[C@@H](C)C[C@@H]1C 228598507 344564372 /nfs/dbraw/zinc/56/43/72/344564372.db2.gz OFYUNLVFULTEPM-RHYQMDGZSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](N)[C@@H](C)C[N@H+]1CC[C@@H](C)C[C@@H]1C 228598507 344564375 /nfs/dbraw/zinc/56/43/75/344564375.db2.gz OFYUNLVFULTEPM-RHYQMDGZSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](N)[C@@H](C)C[N@H+]1CCCCC[C@@H]1C 228600513 344564433 /nfs/dbraw/zinc/56/44/33/344564433.db2.gz KNBOJPXOEOZBQD-SRVKXCTJSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)[C@H](C)C[NH+]1[C@@H](C)CCC[C@@H]1C 228592630 344564448 /nfs/dbraw/zinc/56/44/48/344564448.db2.gz PLILGVPWAKGRBJ-RHYQMDGZSA-N 1 3 198.354 2.233 10 0 AEAEHO CCC1(N2CC[NH2+][C@H](C)CC2)CCC1 229541721 344601479 /nfs/dbraw/zinc/60/14/79/344601479.db2.gz LREKEEZICJEZKV-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC1([NH+]2CCCNCCC2)CCC1 229541829 344601801 /nfs/dbraw/zinc/60/18/01/344601801.db2.gz PBZVDIZHWLRVPA-UHFFFAOYSA-N 1 3 196.338 2.005 10 0 AEAEHO C[C@@H]1C[C@@H]([N@H+]2CCCC2(C)C)CCN1 229547117 344602162 /nfs/dbraw/zinc/60/21/62/344602162.db2.gz WZDOVQGCQWMPFR-MNOVXSKESA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@@H]1C[C@H]([N@@H+]2CCCC2(C)C)CCN1 229547097 344602261 /nfs/dbraw/zinc/60/22/61/344602261.db2.gz WZDOVQGCQWMPFR-GHMZBOCLSA-N 1 3 196.338 2.001 10 0 AEAEHO C[C@@H]1C[C@H]([N@H+]2CCCC2(C)C)CCN1 229547097 344602262 /nfs/dbraw/zinc/60/22/62/344602262.db2.gz WZDOVQGCQWMPFR-GHMZBOCLSA-N 1 3 196.338 2.001 10 0 AEAEHO CCC(C)(CC)[N@@H+]1CC[C@@H](N)[C@@H](C)C1 230960892 344646117 /nfs/dbraw/zinc/64/61/17/344646117.db2.gz XLUPOWQJRGQNMU-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(CC)[N@H+]1CC[C@@H](N)[C@@H](C)C1 230960892 344646119 /nfs/dbraw/zinc/64/61/19/344646119.db2.gz XLUPOWQJRGQNMU-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(CC)[N@@H+]1CC[C@H](N)[C@@H](C)C1 230960896 344646209 /nfs/dbraw/zinc/64/62/09/344646209.db2.gz XLUPOWQJRGQNMU-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(CC)[N@H+]1CC[C@H](N)[C@@H](C)C1 230960896 344646211 /nfs/dbraw/zinc/64/62/11/344646211.db2.gz XLUPOWQJRGQNMU-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCC1 233021872 344698560 /nfs/dbraw/zinc/69/85/60/344698560.db2.gz SQCXLQWDBTZIEV-GHMZBOCLSA-N 1 3 196.338 2.036 10 0 AEAEHO CC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCC1 233028919 344699339 /nfs/dbraw/zinc/69/93/39/344699339.db2.gz SQCXLQWDBTZIEV-MNOVXSKESA-N 1 3 196.338 2.036 10 0 AEAEHO C/C=C/CNC1CC[NH+](CCC)CC1 233034586 344699486 /nfs/dbraw/zinc/69/94/86/344699486.db2.gz HGGOOZWZYUMMJV-HWKANZROSA-N 1 3 196.338 2.027 10 0 AEAEHO CCN(C)C[C@@H]1CC(C)(C)CC[C@H]1[NH3+] 249919751 344828761 /nfs/dbraw/zinc/82/87/61/344828761.db2.gz KVCQBYREJTTYDD-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(C)C[C@H]1CC(C)(C)CC[C@H]1[NH3+] 249919748 344828937 /nfs/dbraw/zinc/82/89/37/344828937.db2.gz KVCQBYREJTTYDD-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(C)C[C@H]1CCCC(C)(C)[C@H]1[NH3+] 250064623 344829382 /nfs/dbraw/zinc/82/93/82/344829382.db2.gz QAJCDHBWICCLMB-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@H+](C)C[C@H]1CCCC(C)(C)[C@H]1N 250064623 344829383 /nfs/dbraw/zinc/82/93/83/344829383.db2.gz QAJCDHBWICCLMB-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](C)C[C@H]1CCCC(C)(C)[C@H]1N 250064623 344829386 /nfs/dbraw/zinc/82/93/86/344829386.db2.gz QAJCDHBWICCLMB-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CCN(C)C[C@@H]1CCCC(C)(C)[C@H]1[NH3+] 250064628 344829408 /nfs/dbraw/zinc/82/94/08/344829408.db2.gz QAJCDHBWICCLMB-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@H+](C)C[C@@H]1CCCC(C)(C)[C@H]1N 250064628 344829409 /nfs/dbraw/zinc/82/94/09/344829409.db2.gz QAJCDHBWICCLMB-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+](C)C[C@@H]1CCCC(C)(C)[C@H]1N 250064628 344829410 /nfs/dbraw/zinc/82/94/10/344829410.db2.gz QAJCDHBWICCLMB-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[N@@H+]1C[C@H](C(C)(C)C)NCC[C@H]1C 250240171 344831058 /nfs/dbraw/zinc/83/10/58/344831058.db2.gz HFIMOQAUYWGOMB-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[N@H+]1C[C@H](C(C)(C)C)NCC[C@H]1C 250240171 344831059 /nfs/dbraw/zinc/83/10/59/344831059.db2.gz HFIMOQAUYWGOMB-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN1C[C@H](C(C)(C)C)[NH2+]CC[C@H]1C 250240171 344831060 /nfs/dbraw/zinc/83/10/60/344831060.db2.gz HFIMOQAUYWGOMB-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[N@H+](C)C[C@@H]1CCC(C)(C)[C@H]1N 250493874 344834319 /nfs/dbraw/zinc/83/43/19/344834319.db2.gz ICUIKJQVZOFVML-QWRGUYRKSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[N@@H+](C)C[C@@H]1CCC(C)(C)[C@H]1N 250493874 344834322 /nfs/dbraw/zinc/83/43/22/344834322.db2.gz ICUIKJQVZOFVML-QWRGUYRKSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[N@H+](C)C[C@H]1CCC(C)(C)[C@H]1N 250493873 344834517 /nfs/dbraw/zinc/83/45/17/344834517.db2.gz ICUIKJQVZOFVML-MNOVXSKESA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[N@@H+](C)C[C@H]1CCC(C)(C)[C@H]1N 250493873 344834519 /nfs/dbraw/zinc/83/45/19/344834519.db2.gz ICUIKJQVZOFVML-MNOVXSKESA-N 1 3 198.354 2.090 10 0 AEAEHO CC[NH2+][C@@H]1CCN(C(C)(C)C)C[C@H]1C 250766405 344840445 /nfs/dbraw/zinc/84/04/45/344840445.db2.gz YSDPMQJWEMUZHT-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+][C@H]1CCN(C(C)(C)C)C[C@H]1C 250766406 344840451 /nfs/dbraw/zinc/84/04/51/344840451.db2.gz YSDPMQJWEMUZHT-MNOVXSKESA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(C)(C)[N@H+](C)[C@@H]1CCNC[C@H]1C 251217017 344849342 /nfs/dbraw/zinc/84/93/42/344849342.db2.gz FKDGMXWNCALNRX-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(C)(C)[N@@H+](C)[C@@H]1CCNC[C@H]1C 251217017 344849345 /nfs/dbraw/zinc/84/93/45/344849345.db2.gz FKDGMXWNCALNRX-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CCC(C)(C)[N@@H+]1CC[C@@H](NC)C[C@H]1C 251210951 344849456 /nfs/dbraw/zinc/84/94/56/344849456.db2.gz DKWDIGJKOLVKKS-GHMZBOCLSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(C)(C)[N@H+]1CC[C@@H](NC)C[C@H]1C 251210951 344849458 /nfs/dbraw/zinc/84/94/58/344849458.db2.gz DKWDIGJKOLVKKS-GHMZBOCLSA-N 1 3 198.354 2.247 10 0 AEAEHO CCC(C)(C)[N@@H+](C)[C@H]1CCNC[C@H]1C 251217018 344849509 /nfs/dbraw/zinc/84/95/09/344849509.db2.gz 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252596607 344904355 /nfs/dbraw/zinc/90/43/55/344904355.db2.gz IJZCRDYVXOAVIT-MXWKQRLJSA-N 1 3 198.354 2.233 10 0 AEAEHO CCC(C)(C)[N@H+]1CC[C@H](N)[C@H](C)[C@H]1C 252596607 344904357 /nfs/dbraw/zinc/90/43/57/344904357.db2.gz IJZCRDYVXOAVIT-MXWKQRLJSA-N 1 3 198.354 2.233 10 0 AEAEHO CC[C@H](C)[N@@H+]1CC[C@H](NC)[C@@H](C)[C@@H]1C 252605759 344904601 /nfs/dbraw/zinc/90/46/01/344904601.db2.gz PYWIIGDWJXFZHT-BJDJZHNGSA-N 1 3 198.354 2.103 10 0 AEAEHO CC[C@H](C)[N@H+]1CC[C@H](NC)[C@@H](C)[C@@H]1C 252605759 344904602 /nfs/dbraw/zinc/90/46/02/344904602.db2.gz PYWIIGDWJXFZHT-BJDJZHNGSA-N 1 3 198.354 2.103 10 0 AEAEHO CC[C@H](C)N1CC[C@H]([NH2+]C)[C@@H](C)[C@@H]1C 252605759 344904603 /nfs/dbraw/zinc/90/46/03/344904603.db2.gz PYWIIGDWJXFZHT-BJDJZHNGSA-N 1 3 198.354 2.103 10 0 AEAEHO CC[C@H](C)[N@@H+]1CC[C@H](NC)[C@@H](C)[C@H]1C 252605761 344904706 /nfs/dbraw/zinc/90/47/06/344904706.db2.gz PYWIIGDWJXFZHT-YFKTTZPYSA-N 1 3 198.354 2.103 10 0 AEAEHO CC[C@H](C)[N@H+]1CC[C@H](NC)[C@@H](C)[C@H]1C 252605761 344904708 /nfs/dbraw/zinc/90/47/08/344904708.db2.gz PYWIIGDWJXFZHT-YFKTTZPYSA-N 1 3 198.354 2.103 10 0 AEAEHO CC[C@H](C)N1CC[C@H]([NH2+]C)[C@@H](C)[C@H]1C 252605761 344904709 /nfs/dbraw/zinc/90/47/09/344904709.db2.gz PYWIIGDWJXFZHT-YFKTTZPYSA-N 1 3 198.354 2.103 10 0 AEAEHO C[C@@H]([C@H](C)CN)[N@@H+]1CCCCC[C@H]1C 252606894 344904768 /nfs/dbraw/zinc/90/47/68/344904768.db2.gz QXFSTFFZKLTKAK-UTUOFQBUSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]([C@H](C)CN)[N@H+]1CCCCC[C@H]1C 252606894 344904770 /nfs/dbraw/zinc/90/47/70/344904770.db2.gz QXFSTFFZKLTKAK-UTUOFQBUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](C)[N@@H+]1CC[C@H](NC)[C@H](C)[C@H]1C 252605760 344904942 /nfs/dbraw/zinc/90/49/42/344904942.db2.gz PYWIIGDWJXFZHT-QCNOEVLYSA-N 1 3 198.354 2.103 10 0 AEAEHO CC[C@H](C)[N@H+]1CC[C@H](NC)[C@H](C)[C@H]1C 252605760 344904946 /nfs/dbraw/zinc/90/49/46/344904946.db2.gz PYWIIGDWJXFZHT-QCNOEVLYSA-N 1 3 198.354 2.103 10 0 AEAEHO CC[C@H](C)N1CC[C@H]([NH2+]C)[C@H](C)[C@H]1C 252605760 344904948 /nfs/dbraw/zinc/90/49/48/344904948.db2.gz PYWIIGDWJXFZHT-QCNOEVLYSA-N 1 3 198.354 2.103 10 0 AEAEHO C[C@H](CN)[C@@H](C)[N@@H+]1CCCCC[C@H]1C 252606893 344905001 /nfs/dbraw/zinc/90/50/01/344905001.db2.gz QXFSTFFZKLTKAK-IJLUTSLNSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](CN)[C@@H](C)[N@H+]1CCCCC[C@H]1C 252606893 344905004 /nfs/dbraw/zinc/90/50/04/344905004.db2.gz QXFSTFFZKLTKAK-IJLUTSLNSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[NH2+][C@@H]1CCN(C(C)C)[C@@H](C)[C@H]1C 252614011 344905043 /nfs/dbraw/zinc/90/50/43/344905043.db2.gz XSEQBNWKPIVOSD-GRYCIOLGSA-N 1 3 198.354 2.103 10 0 AEAEHO C[C@H](N)[C@H](C)C[NH+]1[C@H](C)CCC[C@H]1C 252864907 344916706 /nfs/dbraw/zinc/91/67/06/344916706.db2.gz PLILGVPWAKGRBJ-KKOKHZNYSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H](N)[C@@H](C)C[N@@H+]1CC[C@@H](C)C[C@H]1C 252862729 344916714 /nfs/dbraw/zinc/91/67/14/344916714.db2.gz OFYUNLVFULTEPM-KXNHARMFSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](N)[C@@H](C)C[N@H+]1CC[C@@H](C)C[C@H]1C 252862729 344916716 /nfs/dbraw/zinc/91/67/16/344916716.db2.gz OFYUNLVFULTEPM-KXNHARMFSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](N)[C@H](C)C[N@@H+]1CCCCC[C@H]1C 252855991 344916733 /nfs/dbraw/zinc/91/67/33/344916733.db2.gz KNBOJPXOEOZBQD-UTUOFQBUSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)[C@H](C)C[N@H+]1CCCCC[C@H]1C 252855991 344916734 /nfs/dbraw/zinc/91/67/34/344916734.db2.gz KNBOJPXOEOZBQD-UTUOFQBUSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)[C@@H](C)C[N@@H+]1CCCCC[C@H]1C 252855990 344916861 /nfs/dbraw/zinc/91/68/61/344916861.db2.gz KNBOJPXOEOZBQD-TUAOUCFPSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)[C@@H](C)C[N@H+]1CCCCC[C@H]1C 252855990 344916863 /nfs/dbraw/zinc/91/68/63/344916863.db2.gz KNBOJPXOEOZBQD-TUAOUCFPSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](C[N@@H+]1CC[C@@H](C)C[C@H]1C)[C@@H](C)N 252862730 344916923 /nfs/dbraw/zinc/91/69/23/344916923.db2.gz OFYUNLVFULTEPM-WRWGMCAJSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@@H](C[N@H+]1CC[C@@H](C)C[C@H]1C)[C@@H](C)N 252862730 344916925 /nfs/dbraw/zinc/91/69/25/344916925.db2.gz OFYUNLVFULTEPM-WRWGMCAJSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](N)CC[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 253089024 344927073 /nfs/dbraw/zinc/92/70/73/344927073.db2.gz CKMQHXLWLMRZEL-WISYIIOYSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](N)CC[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 253089024 344927074 /nfs/dbraw/zinc/92/70/74/344927074.db2.gz CKMQHXLWLMRZEL-WISYIIOYSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](N)CC[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C 253089025 344927130 /nfs/dbraw/zinc/92/71/30/344927130.db2.gz CKMQHXLWLMRZEL-WYUUTHIRSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](N)CC[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C 253089025 344927131 /nfs/dbraw/zinc/92/71/31/344927131.db2.gz CKMQHXLWLMRZEL-WYUUTHIRSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](N)CC[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C 253089022 344927136 /nfs/dbraw/zinc/92/71/36/344927136.db2.gz CKMQHXLWLMRZEL-NOOOWODRSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](N)CC[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C 253089022 344927138 /nfs/dbraw/zinc/92/71/38/344927138.db2.gz CKMQHXLWLMRZEL-NOOOWODRSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](N)CC[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C 253089023 344927264 /nfs/dbraw/zinc/92/72/64/344927264.db2.gz CKMQHXLWLMRZEL-RHYQMDGZSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](N)CC[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C 253089023 344927263 /nfs/dbraw/zinc/92/72/63/344927263.db2.gz CKMQHXLWLMRZEL-RHYQMDGZSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](N)C2)CC1 253131820 344927587 /nfs/dbraw/zinc/92/75/87/344927587.db2.gz PBSUCQHGMMVVAO-FIQHERPVSA-N 1 3 196.338 2.035 10 0 AEAEHO C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](N)C2)CC1 253131822 344927738 /nfs/dbraw/zinc/92/77/38/344927738.db2.gz PBSUCQHGMMVVAO-KKOKHZNYSA-N 1 3 196.338 2.035 10 0 AEAEHO C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](N)C2)CC1 253131816 344927794 /nfs/dbraw/zinc/92/77/94/344927794.db2.gz PBSUCQHGMMVVAO-BJDJZHNGSA-N 1 3 196.338 2.035 10 0 AEAEHO C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](N)C2)CC1 253131818 344927852 /nfs/dbraw/zinc/92/78/52/344927852.db2.gz PBSUCQHGMMVVAO-DDHJBXDOSA-N 1 3 196.338 2.035 10 0 AEAEHO CCC(C)(C)C[N@@H+]1CC[C@@H](N)[C@H](C)C1 300014328 344963007 /nfs/dbraw/zinc/96/30/07/344963007.db2.gz AHVRVRQKRNUEOW-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(C)C[N@H+]1CC[C@@H](N)[C@H](C)C1 300014328 344963009 /nfs/dbraw/zinc/96/30/09/344963009.db2.gz AHVRVRQKRNUEOW-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(C)CN1CC[C@@H]([NH3+])[C@H](C)C1 300014328 344963012 /nfs/dbraw/zinc/96/30/12/344963012.db2.gz AHVRVRQKRNUEOW-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(CC)[N@@H+]1CC[C@@H](N)[C@H](C)C1 300400327 344982693 /nfs/dbraw/zinc/98/26/93/344982693.db2.gz XLUPOWQJRGQNMU-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(CC)[N@H+]1CC[C@@H](N)[C@H](C)C1 300400327 344982695 /nfs/dbraw/zinc/98/26/95/344982695.db2.gz XLUPOWQJRGQNMU-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(CC)[N@@H+]1CC[C@H](N)[C@H](C)C1 300400328 344982932 /nfs/dbraw/zinc/98/29/32/344982932.db2.gz XLUPOWQJRGQNMU-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(CC)[N@H+]1CC[C@H](N)[C@H](C)C1 300400328 344982935 /nfs/dbraw/zinc/98/29/35/344982935.db2.gz XLUPOWQJRGQNMU-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)(C)C[NH2+][C@@H]1CCNCC1(C)C 300772499 344994843 /nfs/dbraw/zinc/99/48/43/344994843.db2.gz AENPBTBWDBWUCM-SNVBAGLBSA-N 1 3 198.354 2.010 10 0 AEAEHO CC1([NH2+]C[C@H]2CCCCCCN2)CC1 301000999 345024069 /nfs/dbraw/zinc/02/40/69/345024069.db2.gz KPJRMPULAFHMDY-LLVKDONJSA-N 1 3 196.338 2.051 10 0 AEAEHO CC1([NH2+]C[C@@H]2CCCCCCN2)CC1 301001001 345024160 /nfs/dbraw/zinc/02/41/60/345024160.db2.gz KPJRMPULAFHMDY-NSHDSACASA-N 1 3 196.338 2.051 10 0 AEAEHO [NH3+]CC1(N2CCC2)CCCCCCC1 306211850 345101444 /nfs/dbraw/zinc/10/14/44/345101444.db2.gz UZCWQPVRDSYAPJ-UHFFFAOYSA-N 1 3 196.338 2.134 10 0 AEAEHO CC(C)(C)CC[N@@H+]1CCC[C@@H](N)CC1 306239310 345132152 /nfs/dbraw/zinc/13/21/52/345132152.db2.gz QDYHAWLKZKDSTB-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)(C)CC[N@H+]1CCC[C@@H](N)CC1 306239310 345132155 /nfs/dbraw/zinc/13/21/55/345132155.db2.gz QDYHAWLKZKDSTB-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)(C)CC[N@@H+]1CCC[C@H](N)CC1 306239318 345132312 /nfs/dbraw/zinc/13/23/12/345132312.db2.gz QDYHAWLKZKDSTB-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)(C)CC[N@H+]1CCC[C@H](N)CC1 306239318 345132314 /nfs/dbraw/zinc/13/23/14/345132314.db2.gz QDYHAWLKZKDSTB-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CN[C@@H](C)C[N@@H+]1CCCC12CCCC2 306318964 345196874 /nfs/dbraw/zinc/19/68/74/345196874.db2.gz AQGZAMOZXVBTAS-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CN[C@@H](C)C[N@H+]1CCCC12CCCC2 306318964 345196878 /nfs/dbraw/zinc/19/68/78/345196878.db2.gz AQGZAMOZXVBTAS-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO C[NH2+][C@@H](C)CN1CCCC12CCCC2 306318964 345196882 /nfs/dbraw/zinc/19/68/82/345196882.db2.gz AQGZAMOZXVBTAS-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CN[C@H](C)C[N@@H+]1CCCC12CCCC2 306318963 345196998 /nfs/dbraw/zinc/19/69/98/345196998.db2.gz AQGZAMOZXVBTAS-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CN[C@H](C)C[N@H+]1CCCC12CCCC2 306318963 345197001 /nfs/dbraw/zinc/19/70/01/345197001.db2.gz AQGZAMOZXVBTAS-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO C[NH2+][C@H](C)CN1CCCC12CCCC2 306318963 345197002 /nfs/dbraw/zinc/19/70/02/345197002.db2.gz AQGZAMOZXVBTAS-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H]1C[C@@H]([N@H+](C)C(C)(C)C)CCN1 306328278 345205325 /nfs/dbraw/zinc/20/53/25/345205325.db2.gz LGRNHFOLMHEORR-MNOVXSKESA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H]1C[C@@H]([N@@H+](C)C(C)(C)C)CCN1 306328278 345205327 /nfs/dbraw/zinc/20/53/27/345205327.db2.gz LGRNHFOLMHEORR-MNOVXSKESA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H]1C[C@H]([N@H+](C)C(C)(C)C)CCN1 306328277 345205417 /nfs/dbraw/zinc/20/54/17/345205417.db2.gz LGRNHFOLMHEORR-GHMZBOCLSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H]1C[C@H]([N@@H+](C)C(C)(C)C)CCN1 306328277 345205418 /nfs/dbraw/zinc/20/54/18/345205418.db2.gz LGRNHFOLMHEORR-GHMZBOCLSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H]1C[C@@H]([N@H+](C)C(C)(C)C)CCN1 306328279 345205504 /nfs/dbraw/zinc/20/55/04/345205504.db2.gz LGRNHFOLMHEORR-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H]1C[C@@H]([N@@H+](C)C(C)(C)C)CCN1 306328279 345205507 /nfs/dbraw/zinc/20/55/07/345205507.db2.gz LGRNHFOLMHEORR-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H]1C[C@H]([N@H+](C)C(C)(C)C)CCN1 306328280 345205531 /nfs/dbraw/zinc/20/55/31/345205531.db2.gz LGRNHFOLMHEORR-WDEREUQCSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H]1C[C@H]([N@@H+](C)C(C)(C)C)CCN1 306328280 345205535 /nfs/dbraw/zinc/20/55/35/345205535.db2.gz LGRNHFOLMHEORR-WDEREUQCSA-N 1 3 198.354 2.247 10 0 AEAEHO CNC[C@@H](C)[N@@H+]1CCCC12CCCC2 306474002 345338147 /nfs/dbraw/zinc/33/81/47/345338147.db2.gz VFMWBNUFLBYYHL-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CNC[C@@H](C)[N@H+]1CCCC12CCCC2 306474002 345338148 /nfs/dbraw/zinc/33/81/48/345338148.db2.gz VFMWBNUFLBYYHL-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO C[NH2+]C[C@@H](C)N1CCCC12CCCC2 306474002 345338149 /nfs/dbraw/zinc/33/81/49/345338149.db2.gz VFMWBNUFLBYYHL-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CNC[C@H](C)[N@H+]1CCCC12CCCC2 306474003 345338269 /nfs/dbraw/zinc/33/82/69/345338269.db2.gz VFMWBNUFLBYYHL-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO C[NH2+]C[C@H](C)N1CCCC12CCCC2 306474003 345338271 /nfs/dbraw/zinc/33/82/71/345338271.db2.gz VFMWBNUFLBYYHL-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@H](N)C[C@H](C)[N@@H+]1C[C@H](C)CC1(C)C 306537383 345410443 /nfs/dbraw/zinc/41/04/43/345410443.db2.gz IKZDSGMSEPECIZ-VWYCJHECSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H](N)C[C@H](C)[N@H+]1C[C@H](C)CC1(C)C 306537383 345410444 /nfs/dbraw/zinc/41/04/44/345410444.db2.gz IKZDSGMSEPECIZ-VWYCJHECSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H](N)C[C@H](C)[N@@H+]1C[C@@H](C)CC1(C)C 306537380 345410483 /nfs/dbraw/zinc/41/04/83/345410483.db2.gz IKZDSGMSEPECIZ-DCAQKATOSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H](N)C[C@H](C)[N@H+]1C[C@@H](C)CC1(C)C 306537380 345410486 /nfs/dbraw/zinc/41/04/86/345410486.db2.gz IKZDSGMSEPECIZ-DCAQKATOSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H](N)C[C@@H](C)[N@@H+]1C[C@H](C)CC1(C)C 306537382 345410583 /nfs/dbraw/zinc/41/05/83/345410583.db2.gz IKZDSGMSEPECIZ-OUAUKWLOSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H](N)C[C@@H](C)[N@H+]1C[C@H](C)CC1(C)C 306537382 345410587 /nfs/dbraw/zinc/41/05/87/345410587.db2.gz IKZDSGMSEPECIZ-OUAUKWLOSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H](N)C[C@@H](C)[N@@H+]1C[C@@H](C)CC1(C)C 306537381 345410660 /nfs/dbraw/zinc/41/06/60/345410660.db2.gz IKZDSGMSEPECIZ-GARJFASQSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H](N)C[C@@H](C)[N@H+]1C[C@@H](C)CC1(C)C 306537381 345410661 /nfs/dbraw/zinc/41/06/61/345410661.db2.gz IKZDSGMSEPECIZ-GARJFASQSA-N 1 3 198.354 2.233 10 0 AEAEHO CCCC1([N@@H+]2CC[C@@H](N)C[C@H]2C)CC1 306561748 345437840 /nfs/dbraw/zinc/43/78/40/345437840.db2.gz NTCVCDIVFYORSL-GHMZBOCLSA-N 1 3 196.338 2.131 10 0 AEAEHO CCCC1([N@H+]2CC[C@@H](N)C[C@H]2C)CC1 306561748 345437841 /nfs/dbraw/zinc/43/78/41/345437841.db2.gz NTCVCDIVFYORSL-GHMZBOCLSA-N 1 3 196.338 2.131 10 0 AEAEHO CCCC1(N2CC[C@@H]([NH3+])C[C@H]2C)CC1 306561748 345437843 /nfs/dbraw/zinc/43/78/43/345437843.db2.gz NTCVCDIVFYORSL-GHMZBOCLSA-N 1 3 196.338 2.131 10 0 AEAEHO CCCC1([N@@H+]2CC[C@H](N)C[C@H]2C)CC1 306561749 345437863 /nfs/dbraw/zinc/43/78/63/345437863.db2.gz NTCVCDIVFYORSL-MNOVXSKESA-N 1 3 196.338 2.131 10 0 AEAEHO CCCC1([N@H+]2CC[C@H](N)C[C@H]2C)CC1 306561749 345437865 /nfs/dbraw/zinc/43/78/65/345437865.db2.gz NTCVCDIVFYORSL-MNOVXSKESA-N 1 3 196.338 2.131 10 0 AEAEHO CCCC1(N2CC[C@H]([NH3+])C[C@H]2C)CC1 306561749 345437866 /nfs/dbraw/zinc/43/78/66/345437866.db2.gz NTCVCDIVFYORSL-MNOVXSKESA-N 1 3 196.338 2.131 10 0 AEAEHO CCCC1([N@@H+]2CC[C@@H](N)C[C@@H]2C)CC1 306562123 345437914 /nfs/dbraw/zinc/43/79/14/345437914.db2.gz NTCVCDIVFYORSL-WDEREUQCSA-N 1 3 196.338 2.131 10 0 AEAEHO CCCC1([N@H+]2CC[C@@H](N)C[C@@H]2C)CC1 306562123 345437917 /nfs/dbraw/zinc/43/79/17/345437917.db2.gz NTCVCDIVFYORSL-WDEREUQCSA-N 1 3 196.338 2.131 10 0 AEAEHO CCCC1(N2CC[C@@H]([NH3+])C[C@@H]2C)CC1 306562123 345437919 /nfs/dbraw/zinc/43/79/19/345437919.db2.gz NTCVCDIVFYORSL-WDEREUQCSA-N 1 3 196.338 2.131 10 0 AEAEHO C[C@@H](N)CC[N@@H+]1CCCC12CCCC2 306721655 345572414 /nfs/dbraw/zinc/57/24/14/345572414.db2.gz DYTMJYAVXSQLHX-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO C[C@@H](N)CC[N@H+]1CCCC12CCCC2 306721655 345572416 /nfs/dbraw/zinc/57/24/16/345572416.db2.gz DYTMJYAVXSQLHX-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO C[C@H](N)CC[N@@H+]1CCCC12CCCC2 306721656 345572634 /nfs/dbraw/zinc/57/26/34/345572634.db2.gz DYTMJYAVXSQLHX-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO C[C@H](N)CC[N@H+]1CCCC12CCCC2 306721656 345572636 /nfs/dbraw/zinc/57/26/36/345572636.db2.gz DYTMJYAVXSQLHX-NSHDSACASA-N 1 3 196.338 2.132 10 0 AEAEHO CC1=C(C)C[N@H+](CC(C)(C)CN)CC1 306762703 345598575 /nfs/dbraw/zinc/59/85/75/345598575.db2.gz DYRAQOCCFHWVGP-UHFFFAOYSA-N 1 3 196.338 2.013 10 0 AEAEHO CC1=C(C)C[N@@H+](CC(C)(C)CN)CC1 306762703 345598576 /nfs/dbraw/zinc/59/85/76/345598576.db2.gz DYRAQOCCFHWVGP-UHFFFAOYSA-N 1 3 196.338 2.013 10 0 AEAEHO CC[C@@](C)(N)C[N@@H+]1CCC(C)=C(C)C1 306791957 345617804 /nfs/dbraw/zinc/61/78/04/345617804.db2.gz ZNMMTBVXXZRREN-GFCCVEGCSA-N 1 3 196.338 2.156 10 0 AEAEHO CC[C@@](C)(N)C[N@H+]1CCC(C)=C(C)C1 306791957 345617807 /nfs/dbraw/zinc/61/78/07/345617807.db2.gz ZNMMTBVXXZRREN-GFCCVEGCSA-N 1 3 196.338 2.156 10 0 AEAEHO CC[C@](C)(N)C[N@@H+]1CCC(C)=C(C)C1 306791958 345617982 /nfs/dbraw/zinc/61/79/82/345617982.db2.gz ZNMMTBVXXZRREN-LBPRGKRZSA-N 1 3 196.338 2.156 10 0 AEAEHO CC[C@](C)(N)C[N@H+]1CCC(C)=C(C)C1 306791958 345617985 /nfs/dbraw/zinc/61/79/85/345617985.db2.gz ZNMMTBVXXZRREN-LBPRGKRZSA-N 1 3 196.338 2.156 10 0 AEAEHO CC(C)C[C@H](C)[N@@H+]1CCC[C@H](N)CC1 307252175 345923645 /nfs/dbraw/zinc/92/36/45/345923645.db2.gz RPYVYUVYPBIXQZ-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)C[C@H](C)[N@H+]1CCC[C@H](N)CC1 307252175 345923646 /nfs/dbraw/zinc/92/36/46/345923646.db2.gz RPYVYUVYPBIXQZ-RYUDHWBXSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)C[C@@H](C)[N@@H+]1CCC[C@H](N)CC1 307252173 345923664 /nfs/dbraw/zinc/92/36/64/345923664.db2.gz RPYVYUVYPBIXQZ-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)C[C@@H](C)[N@H+]1CCC[C@H](N)CC1 307252173 345923665 /nfs/dbraw/zinc/92/36/65/345923665.db2.gz RPYVYUVYPBIXQZ-NEPJUHHUSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)C[C@H](C)[N@@H+]1CCC[C@@H](N)CC1 307252174 345923676 /nfs/dbraw/zinc/92/36/76/345923676.db2.gz RPYVYUVYPBIXQZ-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)C[C@H](C)[N@H+]1CCC[C@@H](N)CC1 307252174 345923677 /nfs/dbraw/zinc/92/36/77/345923677.db2.gz RPYVYUVYPBIXQZ-NWDGAFQWSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)C[C@@H](C)[N@@H+]1CCC[C@@H](N)CC1 307252176 345923717 /nfs/dbraw/zinc/92/37/17/345923717.db2.gz RPYVYUVYPBIXQZ-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)C[C@@H](C)[N@H+]1CCC[C@@H](N)CC1 307252176 345923719 /nfs/dbraw/zinc/92/37/19/345923719.db2.gz RPYVYUVYPBIXQZ-VXGBXAGGSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)[N@H+]1CCCCC[C@@H]1C[C@@H](C)N 307384586 346008493 /nfs/dbraw/zinc/00/84/93/346008493.db2.gz GOIPXIONLBCIHG-VXGBXAGGSA-N 1 3 198.354 2.377 10 0 AEAEHO CC(C)[N@@H+]1CCCCC[C@@H]1C[C@@H](C)N 307384586 346008494 /nfs/dbraw/zinc/00/84/94/346008494.db2.gz GOIPXIONLBCIHG-VXGBXAGGSA-N 1 3 198.354 2.377 10 0 AEAEHO CC(C)[N@H+]1CCCCC[C@@H]1C[C@H](C)N 307384584 346008501 /nfs/dbraw/zinc/00/85/01/346008501.db2.gz GOIPXIONLBCIHG-NWDGAFQWSA-N 1 3 198.354 2.377 10 0 AEAEHO CC(C)[N@@H+]1CCCCC[C@@H]1C[C@H](C)N 307384584 346008502 /nfs/dbraw/zinc/00/85/02/346008502.db2.gz GOIPXIONLBCIHG-NWDGAFQWSA-N 1 3 198.354 2.377 10 0 AEAEHO CC(C)[N@H+]1CCCCC[C@H]1C[C@H](C)N 307384585 346008528 /nfs/dbraw/zinc/00/85/28/346008528.db2.gz GOIPXIONLBCIHG-RYUDHWBXSA-N 1 3 198.354 2.377 10 0 AEAEHO CC(C)[N@@H+]1CCCCC[C@H]1C[C@H](C)N 307384585 346008529 /nfs/dbraw/zinc/00/85/29/346008529.db2.gz GOIPXIONLBCIHG-RYUDHWBXSA-N 1 3 198.354 2.377 10 0 AEAEHO CC(C)[N@H+]1CCCCC[C@H]1C[C@@H](C)N 307384583 346008535 /nfs/dbraw/zinc/00/85/35/346008535.db2.gz GOIPXIONLBCIHG-NEPJUHHUSA-N 1 3 198.354 2.377 10 0 AEAEHO CC(C)[N@@H+]1CCCCC[C@H]1C[C@@H](C)N 307384583 346008536 /nfs/dbraw/zinc/00/85/36/346008536.db2.gz GOIPXIONLBCIHG-NEPJUHHUSA-N 1 3 198.354 2.377 10 0 AEAEHO C/C=C\CNC1CC[NH+](CCC)CC1 308404044 346298797 /nfs/dbraw/zinc/29/87/97/346298797.db2.gz HGGOOZWZYUMMJV-HYXAFXHYSA-N 1 3 196.338 2.027 10 0 AEAEHO C/C=C\CNC1CC[NH+](C(C)C)CC1 385059463 346542297 /nfs/dbraw/zinc/54/22/97/346542297.db2.gz UPDWGRCKBKSYDD-PLNGDYQASA-N 1 3 196.338 2.025 10 0 AEAEHO C/C=C/CNC1CC[NH+](C(C)C)CC1 385059466 346542343 /nfs/dbraw/zinc/54/23/43/346542343.db2.gz UPDWGRCKBKSYDD-SNAWJCMRSA-N 1 3 196.338 2.025 10 0 AEAEHO CC(C)CCCN[C@H]1CC[C@@H](C)[NH2+]C1 399030368 346597048 /nfs/dbraw/zinc/59/70/48/346597048.db2.gz LLYXIIBXELJAOO-NEPJUHHUSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[C@H](C)N[C@H]1CC[C@@H](C)[NH2+]C1 399013100 346597131 /nfs/dbraw/zinc/59/71/31/346597131.db2.gz CQCADTGWMVYLDH-WOPDTQHZSA-N 1 3 198.354 2.151 10 0 AEAEHO CC(C)CCCN[C@@H]1CC[C@@H](C)[NH2+]C1 399030375 346597213 /nfs/dbraw/zinc/59/72/13/346597213.db2.gz LLYXIIBXELJAOO-VXGBXAGGSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[C@H](C)N[C@@H]1CC[C@@H](C)[NH2+]C1 399013097 346597231 /nfs/dbraw/zinc/59/72/31/346597231.db2.gz CQCADTGWMVYLDH-GRYCIOLGSA-N 1 3 198.354 2.151 10 0 AEAEHO CC(C)CCCN[C@@H]1CC[C@H](C)[NH2+]C1 399030370 346597270 /nfs/dbraw/zinc/59/72/70/346597270.db2.gz LLYXIIBXELJAOO-NWDGAFQWSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[C@H](C)N[C@@H]1CC[C@H](C)[NH2+]C1 399013098 346597279 /nfs/dbraw/zinc/59/72/79/346597279.db2.gz CQCADTGWMVYLDH-SDDRHHMPSA-N 1 3 198.354 2.151 10 0 AEAEHO CC(C)CCCN[C@H]1CC[C@H](C)[NH2+]C1 399030372 346597346 /nfs/dbraw/zinc/59/73/46/346597346.db2.gz LLYXIIBXELJAOO-RYUDHWBXSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC(CC)CN[C@@H]1CC[C@H](C)[NH2+]C1 399035517 346597376 /nfs/dbraw/zinc/59/73/76/346597376.db2.gz OJHRWBUQFOLQAI-CMPLNLGQSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[C@H](C)N[C@H]1CC[C@H](C)[NH2+]C1 399013099 346597392 /nfs/dbraw/zinc/59/73/92/346597392.db2.gz CQCADTGWMVYLDH-SRVKXCTJSA-N 1 3 198.354 2.151 10 0 AEAEHO CCCC[C@H](C)N[C@H]1CC[C@H](C)[NH2+]C1 399044391 346597704 /nfs/dbraw/zinc/59/77/04/346597704.db2.gz UALBBAGYQMBTHQ-SRVKXCTJSA-N 1 3 198.354 2.295 10 0 AEAEHO CCCC[C@H](C)N[C@H]1CC[C@@H](C)[NH2+]C1 399044393 346597710 /nfs/dbraw/zinc/59/77/10/346597710.db2.gz UALBBAGYQMBTHQ-WOPDTQHZSA-N 1 3 198.354 2.295 10 0 AEAEHO C[C@@H]1CC[C@H](NCCC(C)(C)C)C[NH2+]1 399054947 346597733 /nfs/dbraw/zinc/59/77/33/346597733.db2.gz ZFKIIQQBNTVKML-MNOVXSKESA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@@H]1CC[C@@H](NCCC(C)(C)C)C[NH2+]1 399054946 346597759 /nfs/dbraw/zinc/59/77/59/346597759.db2.gz ZFKIIQQBNTVKML-GHMZBOCLSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC(CC)CN[C@H]1CC[C@H](C)[NH2+]C1 399035518 346597855 /nfs/dbraw/zinc/59/78/55/346597855.db2.gz OJHRWBUQFOLQAI-JQWIXIFHSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCC[C@H](C)N[C@@H]1CC[C@H](C)[NH2+]C1 399044389 346597973 /nfs/dbraw/zinc/59/79/73/346597973.db2.gz UALBBAGYQMBTHQ-SDDRHHMPSA-N 1 3 198.354 2.295 10 0 AEAEHO C[C@H]1CC[C@@H](NCCC(C)(C)C)C[NH2+]1 399054949 346597983 /nfs/dbraw/zinc/59/79/83/346597983.db2.gz ZFKIIQQBNTVKML-WDEREUQCSA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@H]1CC[C@H](NCCC(C)(C)C)C[NH2+]1 399054948 346598181 /nfs/dbraw/zinc/59/81/81/346598181.db2.gz ZFKIIQQBNTVKML-QWRGUYRKSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC(CC)CN[C@H]1CC[C@@H](C)[NH2+]C1 399035520 346598259 /nfs/dbraw/zinc/59/82/59/346598259.db2.gz OJHRWBUQFOLQAI-PWSUYJOCSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCN(C)CC[C@H]1CCCC[N@@H+]1C 608500903 347008992 /nfs/dbraw/zinc/00/89/92/347008992.db2.gz FWTCAYRSWUDHJL-GFCCVEGCSA-N 1 3 198.354 2.203 10 0 AEAEHO CCCN(C)CC[C@H]1CCCC[N@H+]1C 608500903 347008995 /nfs/dbraw/zinc/00/89/95/347008995.db2.gz FWTCAYRSWUDHJL-GFCCVEGCSA-N 1 3 198.354 2.203 10 0 AEAEHO CCCN(C)CC[C@@H]1CCCC[N@H+]1C 608500904 347009097 /nfs/dbraw/zinc/00/90/97/347009097.db2.gz FWTCAYRSWUDHJL-LBPRGKRZSA-N 1 3 198.354 2.203 10 0 AEAEHO CC(C)CCN1CCC([NH+](C)C)CC1 613418112 347059290 /nfs/dbraw/zinc/05/92/90/347059290.db2.gz JPJLCXMRWMYGOV-UHFFFAOYSA-N 1 3 198.354 2.059 10 0 AEAEHO CN(C)[C@@H]1CCC[N@@H+](C(C)(C)C)CC1 616600232 347109139 /nfs/dbraw/zinc/10/91/39/347109139.db2.gz AOKWPXDIOURNGQ-LLVKDONJSA-N 1 3 198.354 2.201 10 0 AEAEHO CN(C)[C@@H]1CCC[N@H+](C(C)(C)C)CC1 616600232 347109140 /nfs/dbraw/zinc/10/91/40/347109140.db2.gz AOKWPXDIOURNGQ-LLVKDONJSA-N 1 3 198.354 2.201 10 0 AEAEHO CN(C)[C@H]1CCC[N@@H+](C(C)(C)C)CC1 616626749 347130213 /nfs/dbraw/zinc/13/02/13/347130213.db2.gz AOKWPXDIOURNGQ-NSHDSACASA-N 1 3 198.354 2.201 10 0 AEAEHO CN(C)[C@H]1CCC[N@H+](C(C)(C)C)CC1 616626749 347130217 /nfs/dbraw/zinc/13/02/17/347130217.db2.gz AOKWPXDIOURNGQ-NSHDSACASA-N 1 3 198.354 2.201 10 0 AEAEHO C/C=C\CN[C@@H]1CC[N@H+](C)C(C)(C)C1 623740178 347262410 /nfs/dbraw/zinc/26/24/10/347262410.db2.gz OHSZSIZHCAFTTI-ISALQUGTSA-N 1 3 196.338 2.025 10 0 AEAEHO C/C=C\CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 623740178 347262414 /nfs/dbraw/zinc/26/24/14/347262414.db2.gz OHSZSIZHCAFTTI-ISALQUGTSA-N 1 3 196.338 2.025 10 0 AEAEHO C/C=C/CN[C@@H]1CC[N@H+](C)C(C)(C)C1 623740179 347262585 /nfs/dbraw/zinc/26/25/85/347262585.db2.gz OHSZSIZHCAFTTI-MVIFTORASA-N 1 3 196.338 2.025 10 0 AEAEHO C/C=C/CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 623740179 347262588 /nfs/dbraw/zinc/26/25/88/347262588.db2.gz OHSZSIZHCAFTTI-MVIFTORASA-N 1 3 196.338 2.025 10 0 AEAEHO C/C=C\CN[C@H]1CC[N@H+](C)C(C)(C)C1 623740177 347262721 /nfs/dbraw/zinc/26/27/21/347262721.db2.gz OHSZSIZHCAFTTI-GZTOBOFZSA-N 1 3 196.338 2.025 10 0 AEAEHO C/C=C\CN[C@H]1CC[N@@H+](C)C(C)(C)C1 623740177 347262723 /nfs/dbraw/zinc/26/27/23/347262723.db2.gz OHSZSIZHCAFTTI-GZTOBOFZSA-N 1 3 196.338 2.025 10 0 AEAEHO C/C=C/CN[C@H]1CC[N@H+](C)C(C)(C)C1 623740180 347262800 /nfs/dbraw/zinc/26/28/00/347262800.db2.gz OHSZSIZHCAFTTI-QRGHLMKCSA-N 1 3 196.338 2.025 10 0 AEAEHO C/C=C/CN[C@H]1CC[N@@H+](C)C(C)(C)C1 623740180 347262802 /nfs/dbraw/zinc/26/28/02/347262802.db2.gz OHSZSIZHCAFTTI-QRGHLMKCSA-N 1 3 196.338 2.025 10 0 AEAEHO CCC[C@@H](C)C[NH2+][C@@H]1CCN[C@H]1CC 629391055 347341886 /nfs/dbraw/zinc/34/18/86/347341886.db2.gz SZOGXBSDDNBOJQ-GRYCIOLGSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](C)CN[C@H]1CC[C@H](C)[NH2+]C1 629395343 347341890 /nfs/dbraw/zinc/34/18/90/347341890.db2.gz PILKKNRHUPNKJF-SRVKXCTJSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](C)CN[C@H]1CC[C@@H](C)[NH2+]C1 629395345 347341894 /nfs/dbraw/zinc/34/18/94/347341894.db2.gz PILKKNRHUPNKJF-TUAOUCFPSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@@H](CC)[NH2+][C@@H]1CCN[C@H]1CC 629390349 347341932 /nfs/dbraw/zinc/34/19/32/347341932.db2.gz PAHBFAZNQZVHJD-GRYCIOLGSA-N 1 3 198.354 2.295 10 0 AEAEHO CCC(CC)C[NH2+][C@@H]1CCN[C@H]1CC 629391005 347341951 /nfs/dbraw/zinc/34/19/51/347341951.db2.gz REDKZFAVOZZNLC-NWDGAFQWSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](CC)[NH2+][C@@H]1CCN[C@H]1CC 629390350 347341957 /nfs/dbraw/zinc/34/19/57/347341957.db2.gz PAHBFAZNQZVHJD-SDDRHHMPSA-N 1 3 198.354 2.295 10 0 AEAEHO CCCC[C@@H](C)[NH2+][C@@H]1CCN[C@H]1CC 629404812 347341985 /nfs/dbraw/zinc/34/19/85/347341985.db2.gz PCVZWUNDOWHXOD-GRYCIOLGSA-N 1 3 198.354 2.295 10 0 AEAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)CC(C)C 629404053 347342014 /nfs/dbraw/zinc/34/20/14/347342014.db2.gz HZZMZZOOFAPRNH-GRYCIOLGSA-N 1 3 198.354 2.151 10 0 AEAEHO CCC[C@H](C)CN[C@@H]1CC[C@@H](C)[NH2+]C1 629395340 347342049 /nfs/dbraw/zinc/34/20/49/347342049.db2.gz PILKKNRHUPNKJF-QJPTWQEYSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@@H]1CCN[C@H]1CC 629391056 347342078 /nfs/dbraw/zinc/34/20/78/347342078.db2.gz SZOGXBSDDNBOJQ-SDDRHHMPSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCC[C@H](C)[NH2+][C@@H]1CCN[C@H]1CC 629404813 347342127 /nfs/dbraw/zinc/34/21/27/347342127.db2.gz PCVZWUNDOWHXOD-SDDRHHMPSA-N 1 3 198.354 2.295 10 0 AEAEHO CCC[C@H](C)CN[C@@H]1CC[C@H](C)[NH2+]C1 629395341 347342192 /nfs/dbraw/zinc/34/21/92/347342192.db2.gz PILKKNRHUPNKJF-SDDRHHMPSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)CC(C)C 629404054 347342428 /nfs/dbraw/zinc/34/24/28/347342428.db2.gz HZZMZZOOFAPRNH-SDDRHHMPSA-N 1 3 198.354 2.151 10 0 AEAEHO CC[C@@H]1NCC[C@H]1[NH2+]C1CCCCC1 629405893 347342869 /nfs/dbraw/zinc/34/28/69/347342869.db2.gz XABAAGDGFATAJE-NWDGAFQWSA-N 1 3 196.338 2.049 10 0 AEAEHO CCCC[C@H](CC)[NH2+][C@@H]1CCN[C@H]1C 629407096 347342926 /nfs/dbraw/zinc/34/29/26/347342926.db2.gz SZWPFLACLGSLNO-SDDRHHMPSA-N 1 3 198.354 2.295 10 0 AEAEHO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCN[C@H]1C 629407022 347343070 /nfs/dbraw/zinc/34/30/70/347343070.db2.gz VKXRAMHVDSBKHV-GRYCIOLGSA-N 1 3 198.354 2.151 10 0 AEAEHO CC(C)CC[C@H](C)[NH2+][C@@H]1CCN[C@H]1C 629407023 347343076 /nfs/dbraw/zinc/34/30/76/347343076.db2.gz VKXRAMHVDSBKHV-SDDRHHMPSA-N 1 3 198.354 2.151 10 0 AEAEHO CCCC[C@@H](CC)[NH2+][C@@H]1CCN[C@H]1C 629406995 347343395 /nfs/dbraw/zinc/34/33/95/347343395.db2.gz SZWPFLACLGSLNO-QJPTWQEYSA-N 1 3 198.354 2.295 10 0 AEAEHO CCCC(CCC)[NH2+][C@@H]1CCN[C@H]1C 629407270 347343140 /nfs/dbraw/zinc/34/31/40/347343140.db2.gz YKVMKIOSFBZROK-CMPLNLGQSA-N 1 3 198.354 2.295 10 0 AEAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)C(C)(C)C 629526376 347344870 /nfs/dbraw/zinc/34/48/70/347344870.db2.gz RWISIZWNAVXEQX-GARJFASQSA-N 1 3 198.354 2.151 10 0 AEAEHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1CC)C(C)C 629523626 347344971 /nfs/dbraw/zinc/34/49/71/347344971.db2.gz IZHCBRTVLPRCRO-SDDRHHMPSA-N 1 3 198.354 2.151 10 0 AEAEHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN[C@H]1CC 629523925 347345016 /nfs/dbraw/zinc/34/50/16/347345016.db2.gz LYIKOBYFDSGRFL-FIQHERPVSA-N 1 3 198.354 2.151 10 0 AEAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)C(C)(C)C 629526377 347345216 /nfs/dbraw/zinc/34/52/16/347345216.db2.gz RWISIZWNAVXEQX-OUAUKWLOSA-N 1 3 198.354 2.151 10 0 AEAEHO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCN[C@H]1CC 629523927 347345283 /nfs/dbraw/zinc/34/52/83/347345283.db2.gz LYIKOBYFDSGRFL-WHOHXGKFSA-N 1 3 198.354 2.151 10 0 AEAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](CC)C(C)C 629523625 347345343 /nfs/dbraw/zinc/34/53/43/347345343.db2.gz IZHCBRTVLPRCRO-GRYCIOLGSA-N 1 3 198.354 2.151 10 0 AEAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)[C@H](C)CC 629523926 347345397 /nfs/dbraw/zinc/34/53/97/347345397.db2.gz LYIKOBYFDSGRFL-NOOOWODRSA-N 1 3 198.354 2.151 10 0 AEAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)[C@H](C)CC 629523928 347345627 /nfs/dbraw/zinc/34/56/27/347345627.db2.gz LYIKOBYFDSGRFL-WISYIIOYSA-N 1 3 198.354 2.151 10 0 AEAEHO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCN[C@H]1C 629546390 347347846 /nfs/dbraw/zinc/34/78/46/347347846.db2.gz PHHCRAYNOVEGJV-GARJFASQSA-N 1 3 198.354 2.151 10 0 AEAEHO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCN[C@H]1C 629546393 347347865 /nfs/dbraw/zinc/34/78/65/347347865.db2.gz PHHCRAYNOVEGJV-HBNTYKKESA-N 1 3 198.354 2.151 10 0 AEAEHO CC1(C)CCC(C)(C)[N@H+](CCCN)C1 629547021 347348060 /nfs/dbraw/zinc/34/80/60/347348060.db2.gz RAGAXULSCRTBNF-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CC1(C)CCC(C)(C)[N@@H+](CCCN)C1 629547021 347348061 /nfs/dbraw/zinc/34/80/61/347348061.db2.gz RAGAXULSCRTBNF-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO C/C=C\C[C@H]1CCC[N@H+](CCCN)C1 629595498 347351289 /nfs/dbraw/zinc/35/12/89/347351289.db2.gz QRZWOVZPIOXTFB-DLGQBQFBSA-N 1 3 196.338 2.013 10 0 AEAEHO C/C=C\C[C@H]1CCC[N@@H+](CCCN)C1 629595498 347351291 /nfs/dbraw/zinc/35/12/91/347351291.db2.gz QRZWOVZPIOXTFB-DLGQBQFBSA-N 1 3 196.338 2.013 10 0 AEAEHO C/C=C\C[C@H]1CCCN(CCC[NH3+])C1 629595498 347351293 /nfs/dbraw/zinc/35/12/93/347351293.db2.gz QRZWOVZPIOXTFB-DLGQBQFBSA-N 1 3 196.338 2.013 10 0 AEAEHO C/C=C/C[C@@H]1CCC[N@H+](CCCN)C1 629595500 347351313 /nfs/dbraw/zinc/35/13/13/347351313.db2.gz QRZWOVZPIOXTFB-QAVQXKDTSA-N 1 3 196.338 2.013 10 0 AEAEHO C/C=C/C[C@@H]1CCC[N@@H+](CCCN)C1 629595500 347351316 /nfs/dbraw/zinc/35/13/16/347351316.db2.gz QRZWOVZPIOXTFB-QAVQXKDTSA-N 1 3 196.338 2.013 10 0 AEAEHO C/C=C/C[C@@H]1CCCN(CCC[NH3+])C1 629595500 347351319 /nfs/dbraw/zinc/35/13/19/347351319.db2.gz QRZWOVZPIOXTFB-QAVQXKDTSA-N 1 3 196.338 2.013 10 0 AEAEHO C/C=C\C[C@@H]1CCC[N@H+](CCCN)C1 629595501 347351376 /nfs/dbraw/zinc/35/13/76/347351376.db2.gz QRZWOVZPIOXTFB-ZZKXABKFSA-N 1 3 196.338 2.013 10 0 AEAEHO C/C=C\C[C@@H]1CCC[N@@H+](CCCN)C1 629595501 347351379 /nfs/dbraw/zinc/35/13/79/347351379.db2.gz QRZWOVZPIOXTFB-ZZKXABKFSA-N 1 3 196.338 2.013 10 0 AEAEHO C/C=C\C[C@@H]1CCCN(CCC[NH3+])C1 629595501 347351383 /nfs/dbraw/zinc/35/13/83/347351383.db2.gz QRZWOVZPIOXTFB-ZZKXABKFSA-N 1 3 196.338 2.013 10 0 AEAEHO C/C=C/C[C@H]1CCC[N@H+](CCCN)C1 629595499 347351950 /nfs/dbraw/zinc/35/19/50/347351950.db2.gz QRZWOVZPIOXTFB-JDGPPOGSSA-N 1 3 196.338 2.013 10 0 AEAEHO C/C=C/C[C@H]1CCCN(CCC[NH3+])C1 629595499 347351954 /nfs/dbraw/zinc/35/19/54/347351954.db2.gz QRZWOVZPIOXTFB-JDGPPOGSSA-N 1 3 196.338 2.013 10 0 AEAEHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCN[C@H]1C 629604281 347352453 /nfs/dbraw/zinc/35/24/53/347352453.db2.gz JBCTUBSNUUPHRB-GRYCIOLGSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCN[C@H]1C 629604282 347352537 /nfs/dbraw/zinc/35/25/37/347352537.db2.gz JBCTUBSNUUPHRB-SDDRHHMPSA-N 1 3 198.354 2.009 10 0 AEAEHO C[C@@H]1NCC[C@H]1[NH2+]C[C@@H](C)C(C)(C)C 629672833 347354718 /nfs/dbraw/zinc/35/47/18/347354718.db2.gz ZVGNJECZFBPKFU-OUAUKWLOSA-N 1 3 198.354 2.009 10 0 AEAEHO C[C@@H]1NCC[C@H]1[NH2+]C[C@H](C)C(C)(C)C 629672832 347354779 /nfs/dbraw/zinc/35/47/79/347354779.db2.gz ZVGNJECZFBPKFU-GARJFASQSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)CCN1CCCCC[C@@H]([NH3+])C1 631831359 347387650 /nfs/dbraw/zinc/38/76/50/347387650.db2.gz BIBOVBRYXZTGDV-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)CCN1CCCCC[C@H]([NH3+])C1 631831360 347388220 /nfs/dbraw/zinc/38/82/20/347388220.db2.gz BIBOVBRYXZTGDV-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(C)(C)CCN1C[C@H]([NH3+])C[C@H]1C 631860906 347392355 /nfs/dbraw/zinc/39/23/55/347392355.db2.gz RHVSTURBGOVYRS-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(C)CCN1C[C@H]([NH3+])C[C@@H]1C 631860909 347392528 /nfs/dbraw/zinc/39/25/28/347392528.db2.gz RHVSTURBGOVYRS-WDEREUQCSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(C)CCN1C[C@@H]([NH3+])C[C@H]1C 631860907 347392585 /nfs/dbraw/zinc/39/25/85/347392585.db2.gz RHVSTURBGOVYRS-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(C)CCN1C[C@@H]([NH3+])C[C@@H]1C 631860908 347392679 /nfs/dbraw/zinc/39/26/79/347392679.db2.gz RHVSTURBGOVYRS-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)C[NH2+][C@@H]1CCNCC(C)(C)C1 634732724 347427565 /nfs/dbraw/zinc/42/75/65/347427565.db2.gz NCIYRYMWUABBBU-LLVKDONJSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)C[NH2+][C@H]1CCNCC(C)(C)C1 634732725 347427644 /nfs/dbraw/zinc/42/76/44/347427644.db2.gz NCIYRYMWUABBBU-NSHDSACASA-N 1 3 198.354 2.010 10 0 AEAEHO CCC(C)(C)CC[NH2+][C@@H](C)C1CNC1 635024211 347436941 /nfs/dbraw/zinc/43/69/41/347436941.db2.gz UHYMLSMTZDSOKZ-JTQLQIEISA-N 1 3 198.354 2.010 10 0 AEAEHO CC[C@@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 635012893 347436958 /nfs/dbraw/zinc/43/69/58/347436958.db2.gz WPOIMQCAXXPWQX-MNOVXSKESA-N 1 3 198.354 2.153 10 0 AEAEHO CCC(C)(C)CC[NH2+]C1CCNCC1 635018562 347437092 /nfs/dbraw/zinc/43/70/92/347437092.db2.gz FMTGDYVEPJHCPY-UHFFFAOYSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC(C)(C)CC[NH2+][C@H](C)C1CNC1 635024212 347437184 /nfs/dbraw/zinc/43/71/84/347437184.db2.gz UHYMLSMTZDSOKZ-SNVBAGLBSA-N 1 3 198.354 2.010 10 0 AEAEHO CC[C@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 635012894 347437224 /nfs/dbraw/zinc/43/72/24/347437224.db2.gz WPOIMQCAXXPWQX-QWRGUYRKSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 635012892 347437252 /nfs/dbraw/zinc/43/72/52/347437252.db2.gz WPOIMQCAXXPWQX-GHMZBOCLSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 635012895 347437375 /nfs/dbraw/zinc/43/73/75/347437375.db2.gz WPOIMQCAXXPWQX-WDEREUQCSA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@@H]1CCCN1CC1([NH3+])CCCCC1 37911192 351476072 /nfs/dbraw/zinc/47/60/72/351476072.db2.gz UCDVNUBIAPRTLS-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO C[C@@H]1CCCN1CC[C@@H]1CCCC[NH2+]1 37911094 351476079 /nfs/dbraw/zinc/47/60/79/351476079.db2.gz GHQVDQKNCAECTJ-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCCN1 37911094 351476082 /nfs/dbraw/zinc/47/60/82/351476082.db2.gz GHQVDQKNCAECTJ-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H]1CCC[N@H+]1CC[C@@H]1CCCCN1 37911094 351476085 /nfs/dbraw/zinc/47/60/85/351476085.db2.gz GHQVDQKNCAECTJ-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H]1CCCCN1CC[C@@H]1CCC[NH2+]1 42171736 351519459 /nfs/dbraw/zinc/51/94/59/351519459.db2.gz ZBOCIOKZFPCYAP-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)C[C@@H]1CN(C(C)C)CCC[NH2+]1 62568400 351588724 /nfs/dbraw/zinc/58/87/24/351588724.db2.gz FNQMQGFNLVDEPH-GFCCVEGCSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)C[C@@H]1C[N@@H+](C(C)C)CCCN1 62568400 351588726 /nfs/dbraw/zinc/58/87/26/351588726.db2.gz FNQMQGFNLVDEPH-GFCCVEGCSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)C[C@@H]1C[N@H+](C(C)C)CCCN1 62568400 351588728 /nfs/dbraw/zinc/58/87/28/351588728.db2.gz FNQMQGFNLVDEPH-GFCCVEGCSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)C[C@H]1CN(C(C)C)CCC[NH2+]1 62568401 351588877 /nfs/dbraw/zinc/58/88/77/351588877.db2.gz FNQMQGFNLVDEPH-LBPRGKRZSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)C[C@H]1C[N@@H+](C(C)C)CCCN1 62568401 351588879 /nfs/dbraw/zinc/58/88/79/351588879.db2.gz FNQMQGFNLVDEPH-LBPRGKRZSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)C[C@H]1C[N@H+](C(C)C)CCCN1 62568401 351588881 /nfs/dbraw/zinc/58/88/81/351588881.db2.gz FNQMQGFNLVDEPH-LBPRGKRZSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)C[C@H](CN)[C@@H]1CCCC[NH2+]1 68590963 351595327 /nfs/dbraw/zinc/59/53/27/351595327.db2.gz XPBPZMFLTQXTQK-UTUOFQBUSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@@H](C)C[C@@H](CN)[C@@H]1CCCC[NH2+]1 68590955 351595453 /nfs/dbraw/zinc/59/54/53/351595453.db2.gz XPBPZMFLTQXTQK-WOPDTQHZSA-N 1 3 198.354 2.140 10 0 AEAEHO C[C@H](N)[C@H](C)C[N@@H+]1[C@@H](C)CCC[C@H]1C 134196074 351738795 /nfs/dbraw/zinc/73/87/95/351738795.db2.gz PLILGVPWAKGRBJ-WYUUTHIRSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H](N)[C@H](C)C[N@H+]1[C@@H](C)CCC[C@H]1C 134196074 351738796 /nfs/dbraw/zinc/73/87/96/351738796.db2.gz PLILGVPWAKGRBJ-WYUUTHIRSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H](N)[C@@H](C)C[N@@H+]1[C@@H](C)CCC[C@H]1C 134196248 351738835 /nfs/dbraw/zinc/73/88/35/351738835.db2.gz PLILGVPWAKGRBJ-YFKTTZPYSA-N 1 3 198.354 2.233 10 0 AEAEHO C[C@H](N)[C@@H](C)C[N@H+]1[C@@H](C)CCC[C@H]1C 134196248 351738836 /nfs/dbraw/zinc/73/88/36/351738836.db2.gz PLILGVPWAKGRBJ-YFKTTZPYSA-N 1 3 198.354 2.233 10 0 AEAEHO CC(C)CCN1CC[C@H]([NH3+])C(C)(C)C1 258810562 351867557 /nfs/dbraw/zinc/86/75/57/351867557.db2.gz NXCXXYWPDWQLJT-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CCN1CC[C@@H]([NH3+])C(C)(C)C1 258810556 351867713 /nfs/dbraw/zinc/86/77/13/351867713.db2.gz NXCXXYWPDWQLJT-LLVKDONJSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H]1NCC[C@H]1[NH2+]C1CCCCCC1 307152707 351990583 /nfs/dbraw/zinc/99/05/83/351990583.db2.gz AIIXMRFKEVFFOF-CMPLNLGQSA-N 1 3 196.338 2.049 10 0 AEAEHO C[C@@H]1CC[C@@H](N[C@H](C)C(C)(C)C)C[NH2+]1 307387011 352009127 /nfs/dbraw/zinc/00/91/27/352009127.db2.gz KZBHZOKMYGHUGD-GMTAPVOTSA-N 1 3 198.354 2.151 10 0 AEAEHO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C 307387013 352009163 /nfs/dbraw/zinc/00/91/63/352009163.db2.gz KZBHZOKMYGHUGD-OUAUKWLOSA-N 1 3 198.354 2.151 10 0 AEAEHO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C 307387014 352009215 /nfs/dbraw/zinc/00/92/15/352009215.db2.gz KZBHZOKMYGHUGD-VWYCJHECSA-N 1 3 198.354 2.151 10 0 AEAEHO C[C@@H]1CC[C@H](N[C@H](C)C(C)(C)C)C[NH2+]1 307387012 352009248 /nfs/dbraw/zinc/00/92/48/352009248.db2.gz KZBHZOKMYGHUGD-MXWKQRLJSA-N 1 3 198.354 2.151 10 0 AEAEHO C[C@@H]1CC[C@H](NC2CCCCC2)C[NH2+]1 307416475 352011800 /nfs/dbraw/zinc/01/18/00/352011800.db2.gz KGRYVBIXWUJUEJ-PWSUYJOCSA-N 1 3 196.338 2.049 10 0 AEAEHO C[C@H]1CC[C@@H](NC2CCCCC2)C[NH2+]1 307416467 352011814 /nfs/dbraw/zinc/01/18/14/352011814.db2.gz KGRYVBIXWUJUEJ-CMPLNLGQSA-N 1 3 196.338 2.049 10 0 AEAEHO C[C@@H]1CC[C@@H](NC2CCCCC2)C[NH2+]1 307416479 352011847 /nfs/dbraw/zinc/01/18/47/352011847.db2.gz KGRYVBIXWUJUEJ-ZYHUDNBSSA-N 1 3 196.338 2.049 10 0 AEAEHO C[C@H]1CC[C@H](NC2CCCCC2)C[NH2+]1 307416471 352011905 /nfs/dbraw/zinc/01/19/05/352011905.db2.gz KGRYVBIXWUJUEJ-JQWIXIFHSA-N 1 3 196.338 2.049 10 0 AEAEHO CCC[C@@H](C)[NH2+][C@@H]1CCNC12CCC2 530179238 352186840 /nfs/dbraw/zinc/18/68/40/352186840.db2.gz WKJLEJSASFKHNX-GHMZBOCLSA-N 1 3 196.338 2.049 10 0 AEAEHO CCC[C@@H](C)[NH2+][C@H]1CCNC12CCC2 530179240 352186941 /nfs/dbraw/zinc/18/69/41/352186941.db2.gz WKJLEJSASFKHNX-MNOVXSKESA-N 1 3 196.338 2.049 10 0 AEAEHO CCC[C@H](C)[NH2+][C@@H]1CCNC12CCC2 530179243 352187088 /nfs/dbraw/zinc/18/70/88/352187088.db2.gz WKJLEJSASFKHNX-WDEREUQCSA-N 1 3 196.338 2.049 10 0 AEAEHO CCC[C@H](C)[NH2+][C@H]1CCNC12CCC2 530179242 352187174 /nfs/dbraw/zinc/18/71/74/352187174.db2.gz WKJLEJSASFKHNX-QWRGUYRKSA-N 1 3 196.338 2.049 10 0 AEAEHO CC(C)c1cccc([C@H](N)CC[NH3+])c1 575438247 352203341 /nfs/dbraw/zinc/20/33/41/352203341.db2.gz FYMHRKFZMDYYHV-GFCCVEGCSA-N 1 3 192.306 2.159 10 0 AEAEHO CC(C)c1cccc([C@@H](N)CC[NH3+])c1 575438087 352203441 /nfs/dbraw/zinc/20/34/41/352203441.db2.gz FYMHRKFZMDYYHV-LBPRGKRZSA-N 1 3 192.306 2.159 10 0 AEAEHO CCC(C)(C)CCN1C[C@H](C)[C@H]([NH3+])C1 643074094 352936603 /nfs/dbraw/zinc/93/66/03/352936603.db2.gz PZORCSZOTXCMAV-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(C)CCN1C[C@H](C)[C@@H]([NH3+])C1 643074093 352936728 /nfs/dbraw/zinc/93/67/28/352936728.db2.gz PZORCSZOTXCMAV-QWRGUYRKSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(C)CCN1C[C@@H](C)[C@@H]([NH3+])C1 643074092 352936776 /nfs/dbraw/zinc/93/67/76/352936776.db2.gz PZORCSZOTXCMAV-MNOVXSKESA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(C)CCN1C[C@@H]([NH3+])[C@H](C)C1 643074091 352936893 /nfs/dbraw/zinc/93/68/93/352936893.db2.gz PZORCSZOTXCMAV-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC(C)(C)CCN1CC[C@H]([NH3+])[C@@H]1C 643075357 352936914 /nfs/dbraw/zinc/93/69/14/352936914.db2.gz DGDGFDNGVNHUOZ-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H]([NH2+]CC(C)(C)C)[C@@H]1CCCNC1 643451709 352951731 /nfs/dbraw/zinc/95/17/31/352951731.db2.gz OODLMYWZMVMUFW-GHMZBOCLSA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@H]([NH2+]CC(C)(C)C)[C@H]1CCCNC1 643451711 352951800 /nfs/dbraw/zinc/95/18/00/352951800.db2.gz OODLMYWZMVMUFW-QWRGUYRKSA-N 1 3 198.354 2.010 10 0 AEAEHO CCCCCN1CCC2(CC[NH2+]2)CC1 643440962 352951876 /nfs/dbraw/zinc/95/18/76/352951876.db2.gz SGIYKIYRCFTNID-UHFFFAOYSA-N 1 3 196.338 2.005 10 0 AEAEHO C[C@H]([NH2+]CC(C)(C)C)[C@@H]1CCCNC1 643451712 352951898 /nfs/dbraw/zinc/95/18/98/352951898.db2.gz OODLMYWZMVMUFW-WDEREUQCSA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@@H]([NH2+]CC(C)(C)C)[C@H]1CCCNC1 643451710 352951922 /nfs/dbraw/zinc/95/19/22/352951922.db2.gz OODLMYWZMVMUFW-MNOVXSKESA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@H](N)C[C@@H](C)[NH2+][C@@H](C)C1CCCC1 643454030 352952733 /nfs/dbraw/zinc/95/27/33/352952733.db2.gz BSYVIACEAJTUTF-AXFHLTTASA-N 1 3 198.354 2.281 10 0 AEAEHO C[C@H](N)C[C@@H](C)[NH2+][C@H](C)C1CCCC1 643454033 352952757 /nfs/dbraw/zinc/95/27/57/352952757.db2.gz BSYVIACEAJTUTF-HBNTYKKESA-N 1 3 198.354 2.281 10 0 AEAEHO C[C@H](N)C[C@H](C)[NH2+][C@H](C)C1CCCC1 643454032 352952770 /nfs/dbraw/zinc/95/27/70/352952770.db2.gz BSYVIACEAJTUTF-GARJFASQSA-N 1 3 198.354 2.281 10 0 AEAEHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)C1CCCC1 643454031 352952911 /nfs/dbraw/zinc/95/29/11/352952911.db2.gz BSYVIACEAJTUTF-DCAQKATOSA-N 1 3 198.354 2.281 10 0 AEAEHO CCCCC[NH2+][C@H](C)[C@@H]1CCCNC1 643455676 352954155 /nfs/dbraw/zinc/95/41/55/352954155.db2.gz ZAKORNSMEPFKMS-VXGBXAGGSA-N 1 3 198.354 2.154 10 0 AEAEHO CCCCC[NH2+][C@@H](C)[C@@H]1CCCNC1 643455674 352954169 /nfs/dbraw/zinc/95/41/69/352954169.db2.gz ZAKORNSMEPFKMS-NWDGAFQWSA-N 1 3 198.354 2.154 10 0 AEAEHO CCCCC[NH2+][C@@H](C)[C@H]1CCCNC1 643455675 352954863 /nfs/dbraw/zinc/95/48/63/352954863.db2.gz ZAKORNSMEPFKMS-RYUDHWBXSA-N 1 3 198.354 2.154 10 0 AEAEHO CCCCC[NH2+][C@H](C)[C@H]1CCCNC1 643455673 352954928 /nfs/dbraw/zinc/95/49/28/352954928.db2.gz ZAKORNSMEPFKMS-NEPJUHHUSA-N 1 3 198.354 2.154 10 0 AEAEHO C[C@H](N)C[C@@H](C)[NH2+]CCC1CCCC1 643458453 352955343 /nfs/dbraw/zinc/95/53/43/352955343.db2.gz CTSGTPMVRKSQDG-WDEREUQCSA-N 1 3 198.354 2.282 10 0 AEAEHO C[C@H](N)C[C@H](C)[NH2+]CCC1CCCC1 643458452 352955412 /nfs/dbraw/zinc/95/54/12/352955412.db2.gz CTSGTPMVRKSQDG-QWRGUYRKSA-N 1 3 198.354 2.282 10 0 AEAEHO CC(C)[C@@H](C)C[NH2+][C@H](C)[C@@H]1CCCN1 643456899 352955516 /nfs/dbraw/zinc/95/55/16/352955516.db2.gz MBAISWHKUPPDIV-TUAOUCFPSA-N 1 3 198.354 2.009 10 0 AEAEHO C[C@@H](C[C@@H](C)N)[NH2+]CCC1CCCC1 643458451 352955577 /nfs/dbraw/zinc/95/55/77/352955577.db2.gz CTSGTPMVRKSQDG-MNOVXSKESA-N 1 3 198.354 2.282 10 0 AEAEHO CC(C)[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CCCN1 643456898 352955761 /nfs/dbraw/zinc/95/57/61/352955761.db2.gz MBAISWHKUPPDIV-SRVKXCTJSA-N 1 3 198.354 2.009 10 0 AEAEHO C[C@@H](N)C[C@@H](C)[NH2+]CCC1CCCC1 643458450 352955766 /nfs/dbraw/zinc/95/57/66/352955766.db2.gz CTSGTPMVRKSQDG-GHMZBOCLSA-N 1 3 198.354 2.282 10 0 AEAEHO CC(C)[C@@H](C)C[NH2+][C@@H](C)[C@H]1CCCN1 643456897 352955820 /nfs/dbraw/zinc/95/58/20/352955820.db2.gz MBAISWHKUPPDIV-SDDRHHMPSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)[C@@H](C)C[NH2+][C@H](C)[C@H]1CCCN1 643456896 352955835 /nfs/dbraw/zinc/95/58/35/352955835.db2.gz MBAISWHKUPPDIV-QJPTWQEYSA-N 1 3 198.354 2.009 10 0 AEAEHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CC12CCCC2 643485332 352962613 /nfs/dbraw/zinc/96/26/13/352962613.db2.gz QFTCPTSDDIGFEY-DCAQKATOSA-N 1 3 196.338 2.035 10 0 AEAEHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC12CCCC2 643485332 352962616 /nfs/dbraw/zinc/96/26/16/352962616.db2.gz QFTCPTSDDIGFEY-DCAQKATOSA-N 1 3 196.338 2.035 10 0 AEAEHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC12CCCC2 643485333 352962719 /nfs/dbraw/zinc/96/27/19/352962719.db2.gz QFTCPTSDDIGFEY-GARJFASQSA-N 1 3 196.338 2.035 10 0 AEAEHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC12CCCC2 643485333 352962720 /nfs/dbraw/zinc/96/27/20/352962720.db2.gz QFTCPTSDDIGFEY-GARJFASQSA-N 1 3 196.338 2.035 10 0 AEAEHO C[C@H](N)C[C@@H](C)[NH2+][C@@H]1CC12CCCC2 643485334 352962729 /nfs/dbraw/zinc/96/27/29/352962729.db2.gz QFTCPTSDDIGFEY-HBNTYKKESA-N 1 3 196.338 2.035 10 0 AEAEHO C[C@H]([NH3+])C[C@@H](C)N[C@H]1CC12CCCC2 643485331 352962861 /nfs/dbraw/zinc/96/28/61/352962861.db2.gz QFTCPTSDDIGFEY-AXFHLTTASA-N 1 3 196.338 2.035 10 0 AEAEHO C[C@H](N)C[C@@H](C)[NH2+][C@H]1CC12CCCC2 643485331 352962862 /nfs/dbraw/zinc/96/28/62/352962862.db2.gz QFTCPTSDDIGFEY-AXFHLTTASA-N 1 3 196.338 2.035 10 0 AEAEHO C[C@@H](C[C@@H](C)N)[NH2+][C@@H](C)C1CCCC1 643493552 352966946 /nfs/dbraw/zinc/96/69/46/352966946.db2.gz BSYVIACEAJTUTF-VWYCJHECSA-N 1 3 198.354 2.281 10 0 AEAEHO C[C@@H](N)C[C@@H](C)[NH2+][C@H](C)C1CCCC1 643493400 352966954 /nfs/dbraw/zinc/96/69/54/352966954.db2.gz BSYVIACEAJTUTF-GMTAPVOTSA-N 1 3 198.354 2.281 10 0 AEAEHO C[C@H]([NH2+][C@H](C)C[C@@H](C)N)C1CCCC1 643493551 352967257 /nfs/dbraw/zinc/96/72/57/352967257.db2.gz BSYVIACEAJTUTF-MXWKQRLJSA-N 1 3 198.354 2.281 10 0 AEAEHO C[C@@H](C[C@@H](C)N)[NH2+][C@H](C)C1CCCC1 643493401 352967461 /nfs/dbraw/zinc/96/74/61/352967461.db2.gz BSYVIACEAJTUTF-OUAUKWLOSA-N 1 3 198.354 2.281 10 0 AEAEHO C[C@H]([NH2+]CCCN)[C@H]1CCCC[C@H]1C 643496795 352970017 /nfs/dbraw/zinc/97/00/17/352970017.db2.gz KFZWLCGLNRUGMA-WOPDTQHZSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCN 643496735 352970021 /nfs/dbraw/zinc/97/00/21/352970021.db2.gz SHYGVWUKXLEBOI-TUAOUCFPSA-N 1 3 198.354 2.140 10 0 AEAEHO CCC[C@H](C)[C@H](CC)[NH2+]CCCN 643496712 352970071 /nfs/dbraw/zinc/97/00/71/352970071.db2.gz NZAOJWOUVYVIDH-QWRGUYRKSA-N 1 3 186.343 2.140 10 0 AEAEHO CCC[C@@H](C)[C@H](CC)[NH2+]CCCN 643496711 352970118 /nfs/dbraw/zinc/97/01/18/352970118.db2.gz NZAOJWOUVYVIDH-MNOVXSKESA-N 1 3 186.343 2.140 10 0 AEAEHO CCC[C@@H](C)[C@@H](CC)[NH2+]CCCN 643496710 352970125 /nfs/dbraw/zinc/97/01/25/352970125.db2.gz NZAOJWOUVYVIDH-GHMZBOCLSA-N 1 3 186.343 2.140 10 0 AEAEHO CC(C)=CCC[C@H](C)[NH2+]CCCN 643496682 352970135 /nfs/dbraw/zinc/97/01/35/352970135.db2.gz WZBXJBKTPXOCPN-NSHDSACASA-N 1 3 184.327 2.060 10 0 AEAEHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCN 643496733 352970141 /nfs/dbraw/zinc/97/01/41/352970141.db2.gz SHYGVWUKXLEBOI-IJLUTSLNSA-N 1 3 198.354 2.140 10 0 AEAEHO CCC[C@H](C)[C@@H](CC)[NH2+]CCCN 643496713 352970150 /nfs/dbraw/zinc/97/01/50/352970150.db2.gz NZAOJWOUVYVIDH-WDEREUQCSA-N 1 3 186.343 2.140 10 0 AEAEHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCN 643496757 352970202 /nfs/dbraw/zinc/97/02/02/352970202.db2.gz BTXVXCVSGFVGSH-QJPTWQEYSA-N 1 3 198.354 2.140 10 0 AEAEHO C[C@@H]1CCCC[C@H]1[C@@H](C)[NH2+]CCCN 643496793 352970209 /nfs/dbraw/zinc/97/02/09/352970209.db2.gz KFZWLCGLNRUGMA-IJLUTSLNSA-N 1 3 198.354 2.140 10 0 AEAEHO CCCC[C@@H](C)[C@@H](C)[NH2+]CCCN 643496827 352970217 /nfs/dbraw/zinc/97/02/17/352970217.db2.gz YDVLOIXWJCUKFF-GHMZBOCLSA-N 1 3 186.343 2.140 10 0 AEAEHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCN 643496736 352970235 /nfs/dbraw/zinc/97/02/35/352970235.db2.gz SHYGVWUKXLEBOI-UTUOFQBUSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCCN 643496734 352970249 /nfs/dbraw/zinc/97/02/49/352970249.db2.gz SHYGVWUKXLEBOI-QJPTWQEYSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCN 643496756 352970299 /nfs/dbraw/zinc/97/02/99/352970299.db2.gz BTXVXCVSGFVGSH-IJLUTSLNSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)=CCC[C@@H](C)[NH2+]CCCN 643496681 352970338 /nfs/dbraw/zinc/97/03/38/352970338.db2.gz WZBXJBKTPXOCPN-LLVKDONJSA-N 1 3 184.327 2.060 10 0 AEAEHO C[C@@H]1CCCC[C@@H]1[C@@H](C)[NH2+]CCCN 643496794 352970467 /nfs/dbraw/zinc/97/04/67/352970467.db2.gz KFZWLCGLNRUGMA-UTUOFQBUSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN 643496759 352970482 /nfs/dbraw/zinc/97/04/82/352970482.db2.gz BTXVXCVSGFVGSH-UTUOFQBUSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCN 643496758 352970530 /nfs/dbraw/zinc/97/05/30/352970530.db2.gz BTXVXCVSGFVGSH-TUAOUCFPSA-N 1 3 198.354 2.140 10 0 AEAEHO CCCC[C@@H](C)[C@H](C)[NH2+]CCCN 643496828 352971251 /nfs/dbraw/zinc/97/12/51/352971251.db2.gz YDVLOIXWJCUKFF-MNOVXSKESA-N 1 3 186.343 2.140 10 0 AEAEHO CCCC[C@H](C)[C@@H](C)[NH2+]CCCN 643496830 352971309 /nfs/dbraw/zinc/97/13/09/352971309.db2.gz YDVLOIXWJCUKFF-WDEREUQCSA-N 1 3 186.343 2.140 10 0 AEAEHO CNCCC[NH2+][C@H]1CC[C@H]1C(C)(C)C 643498565 352971905 /nfs/dbraw/zinc/97/19/05/352971905.db2.gz CCIOXVHWJGTXFF-MNOVXSKESA-N 1 3 198.354 2.010 10 0 AEAEHO CNCCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C 643498567 352972028 /nfs/dbraw/zinc/97/20/28/352972028.db2.gz CCIOXVHWJGTXFF-WDEREUQCSA-N 1 3 198.354 2.010 10 0 AEAEHO CCNCCC[NH2+][C@H](C)[C@H]1CC1(C)C 643499218 352973881 /nfs/dbraw/zinc/97/38/81/352973881.db2.gz JOLRCRFYNSGXDJ-GHMZBOCLSA-N 1 3 198.354 2.010 10 0 AEAEHO CCNCCC[NH2+][C@@H](C)[C@@H]1CC1(C)C 643499220 352973932 /nfs/dbraw/zinc/97/39/32/352973932.db2.gz JOLRCRFYNSGXDJ-QWRGUYRKSA-N 1 3 198.354 2.010 10 0 AEAEHO CCNCCC[NH2+][C@H](C)[C@@H]1CC1(C)C 643499219 352974166 /nfs/dbraw/zinc/97/41/66/352974166.db2.gz JOLRCRFYNSGXDJ-MNOVXSKESA-N 1 3 198.354 2.010 10 0 AEAEHO CCNCCC[NH2+][C@@H](C)[C@H]1CC1(C)C 643499221 352974174 /nfs/dbraw/zinc/97/41/74/352974174.db2.gz JOLRCRFYNSGXDJ-WDEREUQCSA-N 1 3 198.354 2.010 10 0 AEAEHO CC[NH2+]CCCNC1CC(C(C)C)C1 643499289 352974275 /nfs/dbraw/zinc/97/42/75/352974275.db2.gz WHBUVHORUMEHGZ-UHFFFAOYSA-N 1 3 198.354 2.010 10 0 AEAEHO CCNCCC[NH2+]C1CC(C(C)C)C1 643499289 352974279 /nfs/dbraw/zinc/97/42/79/352974279.db2.gz WHBUVHORUMEHGZ-UHFFFAOYSA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@@H](N)CC[NH2+][C@@H]1CCC12CCCC2 643504271 352974670 /nfs/dbraw/zinc/97/46/70/352974670.db2.gz DEKYDJFMBWACFO-GHMZBOCLSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@@H](N)CC[NH2+]C1CCC2(CC1)CC2 643504344 352974729 /nfs/dbraw/zinc/97/47/29/352974729.db2.gz PUHDKHQIHKMNQP-SNVBAGLBSA-N 1 3 196.338 2.036 10 0 AEAEHO C[C@@H](N)CC[NH2+][C@H]1CCC12CCCC2 643504272 352975245 /nfs/dbraw/zinc/97/52/45/352975245.db2.gz DEKYDJFMBWACFO-MNOVXSKESA-N 1 3 196.338 2.036 10 0 AEAEHO C[NH2+]CCN[C@@H](C)C1CCCCCC1 643504818 352977009 /nfs/dbraw/zinc/97/70/09/352977009.db2.gz ULEDXKCPPNBKEO-NSHDSACASA-N 1 3 198.354 2.154 10 0 AEAEHO C[NH2+]CCN[C@H](C)C1CCCCCC1 643504817 352977218 /nfs/dbraw/zinc/97/72/18/352977218.db2.gz ULEDXKCPPNBKEO-LLVKDONJSA-N 1 3 198.354 2.154 10 0 AEAEHO CC(C)NCCC[NH2+][C@H](C)[C@H]1C[C@H]1C 643508536 352980545 /nfs/dbraw/zinc/98/05/45/352980545.db2.gz ZWPWLOURSBRYCE-UTUOFQBUSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)NCCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C 643508534 352980737 /nfs/dbraw/zinc/98/07/37/352980737.db2.gz ZWPWLOURSBRYCE-QJPTWQEYSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)NCCC[NH2+][C@H](C)[C@H]1C[C@@H]1C 643508535 352981076 /nfs/dbraw/zinc/98/10/76/352981076.db2.gz ZWPWLOURSBRYCE-TUAOUCFPSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)NCCC[NH2+][C@H](C)[C@@H]1C[C@H]1C 643508533 352981164 /nfs/dbraw/zinc/98/11/64/352981164.db2.gz ZWPWLOURSBRYCE-IJLUTSLNSA-N 1 3 198.354 2.009 10 0 AEAEHO CCC[NH2+]CCN[C@H](C)[C@@H]1CC1(C)C 643515209 352986645 /nfs/dbraw/zinc/98/66/45/352986645.db2.gz GBQKPOBGNJWZGP-MNOVXSKESA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[NH2+]CCN[C@H](C)[C@H]1CC1(C)C 643515208 352986706 /nfs/dbraw/zinc/98/67/06/352986706.db2.gz GBQKPOBGNJWZGP-GHMZBOCLSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[NH2+]CCN[C@@H](C)[C@H]1CC1(C)C 643515211 352986863 /nfs/dbraw/zinc/98/68/63/352986863.db2.gz GBQKPOBGNJWZGP-WDEREUQCSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC[NH2+]CCN[C@@H](C)[C@@H]1CC1(C)C 643515210 352986907 /nfs/dbraw/zinc/98/69/07/352986907.db2.gz GBQKPOBGNJWZGP-QWRGUYRKSA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@H](CCC(C)(C)C)[NH2+]CC1CNC1 643516596 352988163 /nfs/dbraw/zinc/98/81/63/352988163.db2.gz XFNQBIKTQDHGDQ-SNVBAGLBSA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@@H](CCC(C)(C)C)[NH2+]CC1CNC1 643516595 352988181 /nfs/dbraw/zinc/98/81/81/352988181.db2.gz XFNQBIKTQDHGDQ-JTQLQIEISA-N 1 3 198.354 2.010 10 0 AEAEHO CC[NH2+][C@H](C)CN[C@@H](C)[C@H]1CC1(C)C 643529990 352997346 /nfs/dbraw/zinc/99/73/46/352997346.db2.gz UWRIRWFWNLUKFI-OUAUKWLOSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[NH2+][C@H](C)CN[C@H](C)[C@@H]1CC1(C)C 643529989 352997798 /nfs/dbraw/zinc/99/77/98/352997798.db2.gz UWRIRWFWNLUKFI-MXWKQRLJSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[NH2+][C@H](C)CN[C@@H](C)[C@@H]1CC1(C)C 643529991 352997831 /nfs/dbraw/zinc/99/78/31/352997831.db2.gz UWRIRWFWNLUKFI-VWYCJHECSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[NH2+][C@H](C)CN[C@H](C)[C@H]1CC1(C)C 643529988 352997884 /nfs/dbraw/zinc/99/78/84/352997884.db2.gz UWRIRWFWNLUKFI-GMTAPVOTSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@H](C)[C@H](C)N[C@H]1CCCC[NH2+]C1 319471882 371786487 /nfs/dbraw/zinc/78/64/87/371786487.db2.gz DGELETFQFWMKEI-SRVKXCTJSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@H](C)[C@@H](C)N[C@H]1CCCC[NH2+]C1 319471884 371786469 /nfs/dbraw/zinc/78/64/69/371786469.db2.gz DGELETFQFWMKEI-TUAOUCFPSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@H](C)[C@@H](C)N[C@@H]1CCCC[NH2+]C1 319471879 371786677 /nfs/dbraw/zinc/78/66/77/371786677.db2.gz DGELETFQFWMKEI-QJPTWQEYSA-N 1 3 198.354 2.153 10 0 AEAEHO CC[C@H](C)[C@H](C)N[C@@H]1CCCC[NH2+]C1 319471880 371787700 /nfs/dbraw/zinc/78/77/00/371787700.db2.gz DGELETFQFWMKEI-SDDRHHMPSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)[C@H](C)C[NH2+][C@H](C)[C@H]1CCCN1 400512786 375508016 /nfs/dbraw/zinc/50/80/16/375508016.db2.gz MBAISWHKUPPDIV-IJLUTSLNSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN1)C(C)C 400521872 375507464 /nfs/dbraw/zinc/50/74/64/375507464.db2.gz OPZJXSATRRSGMK-WOPDTQHZSA-N 1 3 198.354 2.151 10 0 AEAEHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C 400521870 375507430 /nfs/dbraw/zinc/50/74/30/375507430.db2.gz OPZJXSATRRSGMK-SRVKXCTJSA-N 1 3 198.354 2.151 10 0 AEAEHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN1)C(C)C 400521870 375507434 /nfs/dbraw/zinc/50/74/34/375507434.db2.gz OPZJXSATRRSGMK-SRVKXCTJSA-N 1 3 198.354 2.151 10 0 AEAEHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]1)C(C)C 400521872 375507462 /nfs/dbraw/zinc/50/74/62/375507462.db2.gz OPZJXSATRRSGMK-WOPDTQHZSA-N 1 3 198.354 2.151 10 0 AEAEHO CC(C)[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCN1 400512788 375507579 /nfs/dbraw/zinc/50/75/79/375507579.db2.gz MBAISWHKUPPDIV-UTUOFQBUSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]1)C(C)C 400521868 375507608 /nfs/dbraw/zinc/50/76/08/375507608.db2.gz OPZJXSATRRSGMK-GRYCIOLGSA-N 1 3 198.354 2.151 10 0 AEAEHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCN1)C(C)C 400521868 375507610 /nfs/dbraw/zinc/50/76/10/375507610.db2.gz OPZJXSATRRSGMK-GRYCIOLGSA-N 1 3 198.354 2.151 10 0 AEAEHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)C(C)C 400521869 375507661 /nfs/dbraw/zinc/50/76/61/375507661.db2.gz OPZJXSATRRSGMK-SDDRHHMPSA-N 1 3 198.354 2.151 10 0 AEAEHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCN1)C(C)C 400521869 375507666 /nfs/dbraw/zinc/50/76/66/375507666.db2.gz OPZJXSATRRSGMK-SDDRHHMPSA-N 1 3 198.354 2.151 10 0 AEAEHO CC(C)[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCN1 400512784 375507810 /nfs/dbraw/zinc/50/78/10/375507810.db2.gz MBAISWHKUPPDIV-GRYCIOLGSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCN1 400512789 375507920 /nfs/dbraw/zinc/50/79/20/375507920.db2.gz MBAISWHKUPPDIV-WOPDTQHZSA-N 1 3 198.354 2.009 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@H](C)C[C@H](C)N 647552039 375661905 /nfs/dbraw/zinc/66/19/05/375661905.db2.gz BKEARXHVJUQXNP-GARJFASQSA-N 1 3 186.343 2.138 10 0 AEAEHO C[C@H](N)C[C@H](C)[NH2+][C@H](C)CC1CCC1 647552399 375662249 /nfs/dbraw/zinc/66/22/49/375662249.db2.gz YQSUWQGIKQZTCM-GARJFASQSA-N 1 3 198.354 2.281 10 0 AEAEHO C[C@H](N)C[C@@H](C)[NH2+][C@@H](C)CC1CCC1 647552397 375662301 /nfs/dbraw/zinc/66/23/01/375662301.db2.gz YQSUWQGIKQZTCM-AXFHLTTASA-N 1 3 198.354 2.281 10 0 AEAEHO C[C@H](N)C[C@@H](C)[NH2+][C@H](C)CC1CCC1 647552400 375662478 /nfs/dbraw/zinc/66/24/78/375662478.db2.gz YQSUWQGIKQZTCM-HBNTYKKESA-N 1 3 198.354 2.281 10 0 AEAEHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)CC1CCC1 647552398 375662688 /nfs/dbraw/zinc/66/26/88/375662688.db2.gz YQSUWQGIKQZTCM-DCAQKATOSA-N 1 3 198.354 2.281 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@@H](C)C[C@H](C)N 647552038 375662754 /nfs/dbraw/zinc/66/27/54/375662754.db2.gz BKEARXHVJUQXNP-DCAQKATOSA-N 1 3 186.343 2.138 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@H](C)C[C@@H](C)N 647552040 375662934 /nfs/dbraw/zinc/66/29/34/375662934.db2.gz BKEARXHVJUQXNP-HBNTYKKESA-N 1 3 186.343 2.138 10 0 AEAEHO CCC[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)N 647552037 375663045 /nfs/dbraw/zinc/66/30/45/375663045.db2.gz BKEARXHVJUQXNP-AXFHLTTASA-N 1 3 186.343 2.138 10 0 AEAEHO C[C@H]1C[C@H]([NH2+]CCCN)CC(C)(C)C1 37713388 409333588 /nfs/dbraw/zinc/33/35/88/409333588.db2.gz XZANHTILPNHFJU-QWRGUYRKSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@@H](C)C[C@@H](CC)[NH2+]CCCN 37713403 409334045 /nfs/dbraw/zinc/33/40/45/409334045.db2.gz BDDNQYMKLDHZLX-GHMZBOCLSA-N 1 3 186.343 2.140 10 0 AEAEHO CC[C@H](NCCC[NH3+])c1ccccc1 37713166 409334139 /nfs/dbraw/zinc/33/41/39/409334139.db2.gz OMMQWYBYNAXUFN-LBPRGKRZSA-N 1 3 192.306 2.076 10 0 AEAEHO CC[C@H](C)C[C@H](CC)[NH2+]CCCN 37713406 409334169 /nfs/dbraw/zinc/33/41/69/409334169.db2.gz BDDNQYMKLDHZLX-QWRGUYRKSA-N 1 3 186.343 2.140 10 0 AEAEHO C[C@H]1C[C@@H]([NH2+]CCCN)CC(C)(C)C1 37713390 409334187 /nfs/dbraw/zinc/33/41/87/409334187.db2.gz XZANHTILPNHFJU-WDEREUQCSA-N 1 3 198.354 2.140 10 0 AEAEHO C[C@@H]1C[C@H]([NH2+]CCCN)CC(C)(C)C1 37713387 409334260 /nfs/dbraw/zinc/33/42/60/409334260.db2.gz XZANHTILPNHFJU-MNOVXSKESA-N 1 3 198.354 2.140 10 0 AEAEHO Cc1ccc([C@H](C)NCCC[NH3+])s1 37713412 409334275 /nfs/dbraw/zinc/33/42/75/409334275.db2.gz OPRWHITXEXJIES-VIFPVBQESA-N 1 3 198.335 2.056 10 0 AEAEHO C[C@@H]1C[C@@H]([NH2+]CCCN)CC(C)(C)C1 37713389 409334484 /nfs/dbraw/zinc/33/44/84/409334484.db2.gz XZANHTILPNHFJU-GHMZBOCLSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@@H](C[C@H](C)CC)[NH2+]CCCN 37713405 409334519 /nfs/dbraw/zinc/33/45/19/409334519.db2.gz BDDNQYMKLDHZLX-MNOVXSKESA-N 1 3 186.343 2.140 10 0 AEAEHO Cc1ccc([C@@H](C)NCCC[NH3+])s1 37713411 409334528 /nfs/dbraw/zinc/33/45/28/409334528.db2.gz OPRWHITXEXJIES-SECBINFHSA-N 1 3 198.335 2.056 10 0 AEAEHO CC[C@H](C)C[C@@H](CC)[NH2+]CCCN 37713404 409334706 /nfs/dbraw/zinc/33/47/06/409334706.db2.gz BDDNQYMKLDHZLX-WDEREUQCSA-N 1 3 186.343 2.140 10 0 AEAEHO CCCC1CCC([NH2+]CCCN)CC1 37713465 409334815 /nfs/dbraw/zinc/33/48/15/409334815.db2.gz NVYFNIWOPOQQTI-UHFFFAOYSA-N 1 3 198.354 2.284 10 0 AEAEHO CC[C@@H](NCCC[NH3+])c1ccccc1 37713167 409334915 /nfs/dbraw/zinc/33/49/15/409334915.db2.gz OMMQWYBYNAXUFN-GFCCVEGCSA-N 1 3 192.306 2.076 10 0 AEAEHO CCCCN(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 40746587 409345772 /nfs/dbraw/zinc/34/57/72/409345772.db2.gz VJBKSPGEJPRIGS-FOSCPWQOSA-N 1 3 196.338 2.001 10 0 AEAEHO C[NH2+]C1CCN(CCC(C)(C)C)CC1 49240359 409374265 /nfs/dbraw/zinc/37/42/65/409374265.db2.gz SMPMKITVGSMLHA-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CNC1CC[NH+](CCC(C)(C)C)CC1 49240359 409374273 /nfs/dbraw/zinc/37/42/73/409374273.db2.gz SMPMKITVGSMLHA-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)C1CCC([NH2+]CCCN)CC1 54555973 409394067 /nfs/dbraw/zinc/39/40/67/409394067.db2.gz YHPUIFYIPIQWBQ-UHFFFAOYSA-N 1 3 198.354 2.140 10 0 AEAEHO CCCN(CCC)C[C@@]1(C)CC[NH2+]C1 62910786 409402021 /nfs/dbraw/zinc/40/20/21/409402021.db2.gz KMQKNGVZUTVOJM-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO CCCN(CCC)C[C@]1(C)CC[NH2+]C1 62910785 409402034 /nfs/dbraw/zinc/40/20/34/409402034.db2.gz KMQKNGVZUTVOJM-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[C@@H](C)N(C)C[C@]1(C)CC[NH2+]C1 62911245 409403600 /nfs/dbraw/zinc/40/36/00/409403600.db2.gz PICUADMGBHUUTI-VXGBXAGGSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCN(CC)C[C@]1(C)CC[NH2+]C1 62910869 409404291 /nfs/dbraw/zinc/40/42/91/409404291.db2.gz CSPJCEZBHDRQFP-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CCC[C@H](C)N(C)C[C@]1(C)CC[NH2+]C1 62911246 409404364 /nfs/dbraw/zinc/40/43/64/409404364.db2.gz PICUADMGBHUUTI-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCN(CC)C[C@@]1(C)CC[NH2+]C1 62910870 409405033 /nfs/dbraw/zinc/40/50/33/409405033.db2.gz CSPJCEZBHDRQFP-LBPRGKRZSA-N 1 3 198.354 2.108 10 0 AEAEHO Cc1ccsc1[C@@H](C)NCCC[NH3+] 69636602 409409193 /nfs/dbraw/zinc/40/91/93/409409193.db2.gz ULNKZPIVIUUNSY-SECBINFHSA-N 1 3 198.335 2.056 10 0 AEAEHO Cc1ccsc1[C@H](C)NCCC[NH3+] 69636604 409409255 /nfs/dbraw/zinc/40/92/55/409409255.db2.gz ULNKZPIVIUUNSY-VIFPVBQESA-N 1 3 198.335 2.056 10 0 AEAEHO CC[C@@H]1CCCCC[N@@H+]1CCCNC 108310518 409458598 /nfs/dbraw/zinc/45/85/98/409458598.db2.gz STBWBUSADXEOGH-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[C@@H]1CCCCC[N@H+]1CCCNC 108310518 409458603 /nfs/dbraw/zinc/45/86/03/409458603.db2.gz STBWBUSADXEOGH-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[C@H]1CCCCC[N@@H+]1CCCNC 108310519 409459942 /nfs/dbraw/zinc/45/99/42/409459942.db2.gz STBWBUSADXEOGH-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CC[C@H]1CCCCC[N@H+]1CCCNC 108310519 409459946 /nfs/dbraw/zinc/45/99/46/409459946.db2.gz STBWBUSADXEOGH-LBPRGKRZSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1C[C@H](CN)C[C@@H]1C 126706856 409476236 /nfs/dbraw/zinc/47/62/36/409476236.db2.gz DRJHQAMYMRKIJX-SRVKXCTJSA-N 1 3 198.354 2.092 10 0 AEAEHO CCC[C@H](C)C[N@H+]1C[C@H](CN)C[C@@H]1C 126706856 409476250 /nfs/dbraw/zinc/47/62/50/409476250.db2.gz DRJHQAMYMRKIJX-SRVKXCTJSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCN 126911338 409477001 /nfs/dbraw/zinc/47/70/01/409477001.db2.gz WULGFZMZQPDXCH-RYUDHWBXSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCN 126911831 409477560 /nfs/dbraw/zinc/47/75/60/409477560.db2.gz WULGFZMZQPDXCH-NWDGAFQWSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCN 126912046 409477730 /nfs/dbraw/zinc/47/77/30/409477730.db2.gz WULGFZMZQPDXCH-VXGBXAGGSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCCN 126911543 409478299 /nfs/dbraw/zinc/47/82/99/409478299.db2.gz WULGFZMZQPDXCH-NEPJUHHUSA-N 1 3 198.354 2.140 10 0 AEAEHO CCC(CC)CN1CCC([NH2+]C)CC1 129066267 409480382 /nfs/dbraw/zinc/48/03/82/409480382.db2.gz QISQVBCMIMOXMP-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC(CC)C[NH+]1CCC(NC)CC1 129066267 409480386 /nfs/dbraw/zinc/48/03/86/409480386.db2.gz QISQVBCMIMOXMP-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H](C)N(C)C[C@@]1(C)CC[NH2+]C1 219856883 409516127 /nfs/dbraw/zinc/51/61/27/409516127.db2.gz PICUADMGBHUUTI-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@H](C)N(C)C[C@@]1(C)CC[NH2+]C1 219856933 409517479 /nfs/dbraw/zinc/51/74/79/409517479.db2.gz PICUADMGBHUUTI-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)(C)CCCN1CCC[C@H]1C[NH3+] 300947199 409540086 /nfs/dbraw/zinc/54/00/86/409540086.db2.gz WTBMYKJUDVEHQY-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H](C)C(C)(C)C 306281391 409550673 /nfs/dbraw/zinc/55/06/73/409550673.db2.gz IMGYHMJIMNKNCI-MXWKQRLJSA-N 1 3 198.354 2.009 10 0 AEAEHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)C(C)(C)C 306281393 409550763 /nfs/dbraw/zinc/55/07/63/409550763.db2.gz IMGYHMJIMNKNCI-VWYCJHECSA-N 1 3 198.354 2.009 10 0 AEAEHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)C(C)(C)C 306281392 409550963 /nfs/dbraw/zinc/55/09/63/409550963.db2.gz IMGYHMJIMNKNCI-OUAUKWLOSA-N 1 3 198.354 2.009 10 0 AEAEHO C[C@@H]1CNCC[C@H]1[NH2+][C@H](C)C(C)(C)C 306281389 409551306 /nfs/dbraw/zinc/55/13/06/409551306.db2.gz IMGYHMJIMNKNCI-GMTAPVOTSA-N 1 3 198.354 2.009 10 0 AEAEHO C[C@H]([NH2+][C@H](C)[C@@H](C)N)c1cccs1 308136345 409687153 /nfs/dbraw/zinc/68/71/53/409687153.db2.gz OPIHBDKZVIYHDT-HLTSFMKQSA-N 1 3 198.335 2.134 10 0 AEAEHO C[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1cccs1 308136347 409687352 /nfs/dbraw/zinc/68/73/52/409687352.db2.gz OPIHBDKZVIYHDT-VGMNWLOBSA-N 1 3 198.335 2.134 10 0 AEAEHO C[C@H]([NH2+][C@@H](C)[C@H](C)N)c1cccs1 308136343 409687924 /nfs/dbraw/zinc/68/79/24/409687924.db2.gz OPIHBDKZVIYHDT-CIUDSAMLSA-N 1 3 198.335 2.134 10 0 AEAEHO C[C@H]([NH2+][C@H](C)[C@H](C)N)c1cccs1 308136348 409688725 /nfs/dbraw/zinc/68/87/25/409688725.db2.gz OPIHBDKZVIYHDT-YIZRAAEISA-N 1 3 198.335 2.134 10 0 AEAEHO CC(C)CC[C@H]([NH2+]CCCN)C1CC1 308562304 409736334 /nfs/dbraw/zinc/73/63/34/409736334.db2.gz WRDUXOGSSMIUAC-LBPRGKRZSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)CC[C@@H]([NH2+]CCCN)C1CC1 308562303 409736422 /nfs/dbraw/zinc/73/64/22/409736422.db2.gz WRDUXOGSSMIUAC-GFCCVEGCSA-N 1 3 198.354 2.140 10 0 AEAEHO CCCC[C@H]1CCC[C@H]1[NH2+]CCCN 308980095 409763836 /nfs/dbraw/zinc/76/38/36/409763836.db2.gz HVEYKALSDMNJNJ-NWDGAFQWSA-N 1 3 198.354 2.284 10 0 AEAEHO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCCN 308980093 409764192 /nfs/dbraw/zinc/76/41/92/409764192.db2.gz HVEYKALSDMNJNJ-NEPJUHHUSA-N 1 3 198.354 2.284 10 0 AEAEHO CCCC[C@@H]1CCC[C@H]1[NH2+]CCCN 308980099 409764213 /nfs/dbraw/zinc/76/42/13/409764213.db2.gz HVEYKALSDMNJNJ-VXGBXAGGSA-N 1 3 198.354 2.284 10 0 AEAEHO CCCC[C@H]1CCC[C@@H]1[NH2+]CCCN 308980097 409764528 /nfs/dbraw/zinc/76/45/28/409764528.db2.gz HVEYKALSDMNJNJ-RYUDHWBXSA-N 1 3 198.354 2.284 10 0 AEAEHO C[C@H](CCC1CCCC1)[NH2+]CCCN 309014995 409766287 /nfs/dbraw/zinc/76/62/87/409766287.db2.gz UARLXZDNYVIAJU-LLVKDONJSA-N 1 3 198.354 2.284 10 0 AEAEHO CCC1(C)CCC([NH2+]CCCN)CC1 309094663 409766055 /nfs/dbraw/zinc/76/60/55/409766055.db2.gz CIVHWAVSAUDJFF-UHFFFAOYSA-N 1 3 198.354 2.284 10 0 AEAEHO C[C@@H](CCC1CCCC1)[NH2+]CCCN 309014997 409766441 /nfs/dbraw/zinc/76/64/41/409766441.db2.gz UARLXZDNYVIAJU-NSHDSACASA-N 1 3 198.354 2.284 10 0 AEAEHO CCC[C@H]([NH2+]CCCN)C1CCCC1 313398417 409778278 /nfs/dbraw/zinc/77/82/78/409778278.db2.gz KCRBZDICLLAURZ-LBPRGKRZSA-N 1 3 198.354 2.284 10 0 AEAEHO CCC[C@@H]([NH2+]CCCN)C1CCCC1 313398416 409778324 /nfs/dbraw/zinc/77/83/24/409778324.db2.gz KCRBZDICLLAURZ-GFCCVEGCSA-N 1 3 198.354 2.284 10 0 AEAEHO CC(C)(C)CCC[NH2+]C1CCNCC1 313273744 409779278 /nfs/dbraw/zinc/77/92/78/409779278.db2.gz SPSRJRAZDKRZPS-UHFFFAOYSA-N 1 3 198.354 2.154 10 0 AEAEHO CC(C)[C@H](N)CC[NH2+][C@@H](C)CC1CC1 663503032 409784480 /nfs/dbraw/zinc/78/44/80/409784480.db2.gz MEUMOFJXHFGHFA-CMPLNLGQSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC[C@@H]1C 663500412 409784823 /nfs/dbraw/zinc/78/48/23/409784823.db2.gz RNBJBBXGJXKCPX-TUAOUCFPSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC[C@H]1C 663500413 409784973 /nfs/dbraw/zinc/78/49/73/409784973.db2.gz RNBJBBXGJXKCPX-UTUOFQBUSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC[C@@H]1C 663500411 409785414 /nfs/dbraw/zinc/78/54/14/409785414.db2.gz RNBJBBXGJXKCPX-QJPTWQEYSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)[C@H](N)CC[NH2+][C@H]1CC[C@H](C)C1 663500361 409785699 /nfs/dbraw/zinc/78/56/99/409785699.db2.gz QBLZGCGBHAOTIP-SDDRHHMPSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)[C@H](N)CC[NH2+][C@@H]1CC[C@H](C)C1 663500360 409785734 /nfs/dbraw/zinc/78/57/34/409785734.db2.gz QBLZGCGBHAOTIP-QJPTWQEYSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC[C@H]1C 663500410 409786063 /nfs/dbraw/zinc/78/60/63/409786063.db2.gz RNBJBBXGJXKCPX-IJLUTSLNSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)[C@H](N)CC[NH2+][C@@H](C)C1CCC1 663502114 409786357 /nfs/dbraw/zinc/78/63/57/409786357.db2.gz FUCXWVMDCCKKJK-CMPLNLGQSA-N 1 3 198.354 2.138 10 0 AEAEHO CC(C)[C@H](N)CC[NH2+][C@H](C)C1CCC1 663502115 409786778 /nfs/dbraw/zinc/78/67/78/409786778.db2.gz FUCXWVMDCCKKJK-ZYHUDNBSSA-N 1 3 198.354 2.138 10 0 AEAEHO CCC[C@H](C)[NH2+]CC[C@@H](N)C(C)C 663503147 409790601 /nfs/dbraw/zinc/79/06/01/409790601.db2.gz OFMUJBMBPKBAQL-WDEREUQCSA-N 1 3 186.343 2.138 10 0 AEAEHO CC(C)[C@H](N)CC[NH2+][C@H](C)CC1CC1 663503033 409790930 /nfs/dbraw/zinc/79/09/30/409790930.db2.gz MEUMOFJXHFGHFA-ZYHUDNBSSA-N 1 3 198.354 2.138 10 0 AEAEHO CCC[C@@H](C)[NH2+]CC[C@@H](N)C(C)C 663503125 409791108 /nfs/dbraw/zinc/79/11/08/409791108.db2.gz OFMUJBMBPKBAQL-GHMZBOCLSA-N 1 3 186.343 2.138 10 0 AEAEHO C[C@H](CCC(C)(C)C)[NH2+]CCCN 379366968 409834658 /nfs/dbraw/zinc/83/46/58/409834658.db2.gz LOEMIOMSHQAPGM-SNVBAGLBSA-N 1 3 186.343 2.140 10 0 AEAEHO C[C@@H](CCC(C)(C)C)[NH2+]CCCN 379366967 409835408 /nfs/dbraw/zinc/83/54/08/409835408.db2.gz LOEMIOMSHQAPGM-JTQLQIEISA-N 1 3 186.343 2.140 10 0 AEAEHO C[C@H]([NH2+][C@@H](C)[C@H](C)N)c1ccccc1 379540290 409850244 /nfs/dbraw/zinc/85/02/44/409850244.db2.gz OOUFAUGTKUJRGF-DCAQKATOSA-N 1 3 192.306 2.073 10 0 AEAEHO C[C@H]([NH2+][C@H](C)[C@H](C)N)c1ccccc1 379540289 409850336 /nfs/dbraw/zinc/85/03/36/409850336.db2.gz OOUFAUGTKUJRGF-AXFHLTTASA-N 1 3 192.306 2.073 10 0 AEAEHO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)C1CNC1 665236277 409851635 /nfs/dbraw/zinc/85/16/35/409851635.db2.gz JOZGTYUCJDVTFT-VHSXEESVSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@@H](C)CC[NH2+][C@H]1CCCNCC1 665238039 409851715 /nfs/dbraw/zinc/85/17/15/409851715.db2.gz OZVXUEQRIUICJV-NEPJUHHUSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC(C)(C)[C@H](C)[NH2+][C@H](C)C1CNC1 665236278 409852542 /nfs/dbraw/zinc/85/25/42/409852542.db2.gz JOZGTYUCJDVTFT-ZJUUUORDSA-N 1 3 198.354 2.009 10 0 AEAEHO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)C1CNC1 665236276 409853001 /nfs/dbraw/zinc/85/30/01/409853001.db2.gz JOZGTYUCJDVTFT-UWVGGRQHSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@H](C)CC[NH2+][C@@H]1CCCNCC1 665238040 409855784 /nfs/dbraw/zinc/85/57/84/409855784.db2.gz OZVXUEQRIUICJV-NWDGAFQWSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)C1CNC1 665236275 409854525 /nfs/dbraw/zinc/85/45/25/409854525.db2.gz JOZGTYUCJDVTFT-NXEZZACHSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@@H](C)CC[NH2+][C@@H]1CCCNCC1 665238042 409855550 /nfs/dbraw/zinc/85/55/50/409855550.db2.gz OZVXUEQRIUICJV-VXGBXAGGSA-N 1 3 198.354 2.154 10 0 AEAEHO CC[C@H](C)CC[NH2+][C@H]1CCCNCC1 665238041 409856576 /nfs/dbraw/zinc/85/65/76/409856576.db2.gz OZVXUEQRIUICJV-RYUDHWBXSA-N 1 3 198.354 2.154 10 0 AEAEHO CN(CC(C)(C)C[NH3+])CC1(C)CCC1 379607329 409857402 /nfs/dbraw/zinc/85/74/02/409857402.db2.gz RCTWCLGMCKPLOU-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@H]([NH2+]CC[C@@H](N)C(C)C)C1CC1 665280776 409868601 /nfs/dbraw/zinc/86/86/01/409868601.db2.gz LBXCQOLQNXSXLH-VXGBXAGGSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@H]1CC[C@H]1[NH2+]CC[C@@H](N)C(C)C 665281558 409869722 /nfs/dbraw/zinc/86/97/22/409869722.db2.gz GTCAQZBCRBONCQ-QJPTWQEYSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@H]1CC[C@@H]1[NH2+]CC[C@@H](N)C(C)C 665281559 409869962 /nfs/dbraw/zinc/86/99/62/409869962.db2.gz GTCAQZBCRBONCQ-TUAOUCFPSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@H]([NH2+]CC[C@@H](N)C(C)C)C1CC1 665280775 409870566 /nfs/dbraw/zinc/87/05/66/409870566.db2.gz LBXCQOLQNXSXLH-NEPJUHHUSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@@H]1CC[C@H]1[NH2+]CC[C@@H](N)C(C)C 665281557 409870705 /nfs/dbraw/zinc/87/07/05/409870705.db2.gz GTCAQZBCRBONCQ-IJLUTSLNSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@@H]1CC[C@@H]1[NH2+]CC[C@@H](N)C(C)C 665281560 409870727 /nfs/dbraw/zinc/87/07/27/409870727.db2.gz GTCAQZBCRBONCQ-UTUOFQBUSA-N 1 3 198.354 2.138 10 0 AEAEHO CCC(C)(C)CC[N@@H+]1CC[C@H](CN)C1 380230868 409875398 /nfs/dbraw/zinc/87/53/98/409875398.db2.gz LIWBHPCWOUURIH-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC(C)(C)CC[N@H+]1CC[C@H](CN)C1 380230868 409875403 /nfs/dbraw/zinc/87/54/03/409875403.db2.gz LIWBHPCWOUURIH-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@H]1C(C)(C)C 665298403 409875903 /nfs/dbraw/zinc/87/59/03/409875903.db2.gz VOXFLVLRBGYANU-HBNTYKKESA-N 1 3 198.354 2.009 10 0 AEAEHO CCC(C)(C)CC[N@@H+]1CC[C@@H](CN)C1 380230876 409876044 /nfs/dbraw/zinc/87/60/44/409876044.db2.gz LIWBHPCWOUURIH-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CCC(C)(C)CC[N@H+]1CC[C@@H](CN)C1 380230876 409876049 /nfs/dbraw/zinc/87/60/49/409876049.db2.gz LIWBHPCWOUURIH-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@@H]1C(C)(C)C 665298402 409876614 /nfs/dbraw/zinc/87/66/14/409876614.db2.gz VOXFLVLRBGYANU-GARJFASQSA-N 1 3 198.354 2.009 10 0 AEAEHO C[NH2+]C[C@H](C)N[C@H]1CC[C@@H]1C(C)(C)C 665298401 409876724 /nfs/dbraw/zinc/87/67/24/409876724.db2.gz VOXFLVLRBGYANU-DCAQKATOSA-N 1 3 198.354 2.009 10 0 AEAEHO C[NH2+]C[C@H](C)N[C@H]1CC[C@H]1C(C)(C)C 665298400 409877036 /nfs/dbraw/zinc/87/70/36/409877036.db2.gz VOXFLVLRBGYANU-AXFHLTTASA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@H](NCCC[NH3+])c1ccsc1 382164977 409893981 /nfs/dbraw/zinc/89/39/81/409893981.db2.gz VDJURJHGNVNYAU-JTQLQIEISA-N 1 3 198.335 2.138 10 0 AEAEHO CC[C@@H](NCCC[NH3+])c1ccsc1 382164979 409894443 /nfs/dbraw/zinc/89/44/43/409894443.db2.gz VDJURJHGNVNYAU-SNVBAGLBSA-N 1 3 198.335 2.138 10 0 AEAEHO C[C@@H]([NH2+]CCCNC1CC1)C(C)(C)C 382592905 409906203 /nfs/dbraw/zinc/90/62/03/409906203.db2.gz HZHKUECDLLFSGO-SNVBAGLBSA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@H]([NH2+]CCCNC1CC1)C(C)(C)C 382592903 409906451 /nfs/dbraw/zinc/90/64/51/409906451.db2.gz HZHKUECDLLFSGO-JTQLQIEISA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@H](CN(C)C1CC([NH3+])C1)C(C)(C)C 384711533 409914336 /nfs/dbraw/zinc/91/43/36/409914336.db2.gz DMWGTHYTLBWILU-KPPDAEKUSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@@H](CN(C)C1CC([NH3+])C1)C(C)(C)C 384711534 409914359 /nfs/dbraw/zinc/91/43/59/409914359.db2.gz DMWGTHYTLBWILU-WHXUTIOJSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCNC1 386092533 409933067 /nfs/dbraw/zinc/93/30/67/409933067.db2.gz GFECDMQQJZSRGN-GHMZBOCLSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)NCCC[NH2+][C@@H]1C[C@H](C)[C@H]1C 386253832 409933136 /nfs/dbraw/zinc/93/31/36/409933136.db2.gz JAURPECOFVZNNS-QJPTWQEYSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)[NH2+]CCCN[C@@H]1C[C@H](C)[C@H]1C 386253832 409933143 /nfs/dbraw/zinc/93/31/43/409933143.db2.gz JAURPECOFVZNNS-QJPTWQEYSA-N 1 3 198.354 2.009 10 0 AEAEHO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CCNC1 386092536 409933581 /nfs/dbraw/zinc/93/35/81/409933581.db2.gz GFECDMQQJZSRGN-WDEREUQCSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)NCCC[NH2+][C@@H]1C[C@@H](C)[C@H]1C 386253831 409933831 /nfs/dbraw/zinc/93/38/31/409933831.db2.gz JAURPECOFVZNNS-IJLUTSLNSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)[NH2+]CCCN[C@@H]1C[C@@H](C)[C@H]1C 386253831 409933835 /nfs/dbraw/zinc/93/38/35/409933835.db2.gz JAURPECOFVZNNS-IJLUTSLNSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)NCCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 386253830 409935066 /nfs/dbraw/zinc/93/50/66/409935066.db2.gz JAURPECOFVZNNS-GRYCIOLGSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)[NH2+]CCCN[C@@H]1C[C@@H](C)[C@@H]1C 386253830 409935073 /nfs/dbraw/zinc/93/50/73/409935073.db2.gz JAURPECOFVZNNS-GRYCIOLGSA-N 1 3 198.354 2.009 10 0 AEAEHO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCNC1 386092534 409935564 /nfs/dbraw/zinc/93/55/64/409935564.db2.gz GFECDMQQJZSRGN-MNOVXSKESA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CCNC1 386092535 409935692 /nfs/dbraw/zinc/93/56/92/409935692.db2.gz GFECDMQQJZSRGN-QWRGUYRKSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)NCCC[NH2+][C@@H]1C[C@H](C)[C@@H]1C 386253833 409935827 /nfs/dbraw/zinc/93/58/27/409935827.db2.gz JAURPECOFVZNNS-SDDRHHMPSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)[NH2+]CCCN[C@@H]1C[C@H](C)[C@@H]1C 386253833 409935832 /nfs/dbraw/zinc/93/58/32/409935832.db2.gz JAURPECOFVZNNS-SDDRHHMPSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)C(C)C 393690162 409991056 /nfs/dbraw/zinc/99/10/56/409991056.db2.gz OWSYNRMZTANPGQ-SDDRHHMPSA-N 1 3 198.354 2.009 10 0 AEAEHO NCCC[NH2+][C@H]1CCCC12CCCC2 392767793 409979676 /nfs/dbraw/zinc/97/96/76/409979676.db2.gz PNIQDNRGUTYSFR-NSHDSACASA-N 1 3 196.338 2.038 10 0 AEAEHO CC(C)C(C)(C)[NH2+]C[C@H]1CCCNC1 389897206 409974116 /nfs/dbraw/zinc/97/41/16/409974116.db2.gz ZXMQLNWSKDGZRZ-NSHDSACASA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)C(C)(C)[NH2+]C[C@@H]1CCCNC1 389897205 409975155 /nfs/dbraw/zinc/97/51/55/409975155.db2.gz ZXMQLNWSKDGZRZ-LLVKDONJSA-N 1 3 198.354 2.010 10 0 AEAEHO NCCC[NH2+][C@@H]1CCCC12CCCC2 392767790 409979430 /nfs/dbraw/zinc/97/94/30/409979430.db2.gz PNIQDNRGUTYSFR-LLVKDONJSA-N 1 3 196.338 2.038 10 0 AEAEHO CC[C@H]([NH2+][C@H]1CCNC[C@H]1C)C(C)C 393690165 409990007 /nfs/dbraw/zinc/99/00/07/409990007.db2.gz OWSYNRMZTANPGQ-WOPDTQHZSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)C(C)C 393690160 409990442 /nfs/dbraw/zinc/99/04/42/409990442.db2.gz OWSYNRMZTANPGQ-GRYCIOLGSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)C(C)C 393690163 409991514 /nfs/dbraw/zinc/99/15/14/409991514.db2.gz OWSYNRMZTANPGQ-SRVKXCTJSA-N 1 3 198.354 2.009 10 0 AEAEHO CCC(C)(C)CC[N@H+](C)CCCN 393678322 409991562 /nfs/dbraw/zinc/99/15/62/409991562.db2.gz LZZPCSJWFSXTIM-UHFFFAOYSA-N 1 3 186.343 2.093 10 0 AEAEHO CCC(C)(C)CC[N@@H+](C)CCCN 393678322 409991567 /nfs/dbraw/zinc/99/15/67/409991567.db2.gz LZZPCSJWFSXTIM-UHFFFAOYSA-N 1 3 186.343 2.093 10 0 AEAEHO CCC(C)(C)CCN(C)CCC[NH3+] 393678322 409991571 /nfs/dbraw/zinc/99/15/71/409991571.db2.gz LZZPCSJWFSXTIM-UHFFFAOYSA-N 1 3 186.343 2.093 10 0 AEAEHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C 394344236 409996681 /nfs/dbraw/zinc/99/66/81/409996681.db2.gz HTYVVUILTVYURJ-FIQHERPVSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C 394344238 409997207 /nfs/dbraw/zinc/99/72/07/409997207.db2.gz HTYVVUILTVYURJ-WHOHXGKFSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C 394344235 409997216 /nfs/dbraw/zinc/99/72/16/409997216.db2.gz HTYVVUILTVYURJ-BJDJZHNGSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCNC[C@H]1C 394344237 409997353 /nfs/dbraw/zinc/99/73/53/409997353.db2.gz HTYVVUILTVYURJ-USZNOCQGSA-N 1 3 198.354 2.009 10 0 AEAEHO CC(C)=CCC[NH2+][C@H]1CCCNCC1 397806909 410017062 /nfs/dbraw/zinc/01/70/62/410017062.db2.gz HHLAEFOWLSGUMD-LBPRGKRZSA-N 1 3 196.338 2.074 10 0 AEAEHO CC(C)=CCC[NH2+][C@@H]1CCCNCC1 397806908 410017933 /nfs/dbraw/zinc/01/79/33/410017933.db2.gz HHLAEFOWLSGUMD-GFCCVEGCSA-N 1 3 196.338 2.074 10 0 AEAEHO CCC(C)(C)CN[C@H]1C[NH2+]C[C@H](C)C1 401641793 410033489 /nfs/dbraw/zinc/03/34/89/410033489.db2.gz IEFFXYQHKMDNPY-GHMZBOCLSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC(C)(C)CN[C@H]1C[NH2+]C[C@@H](C)C1 401641799 410032345 /nfs/dbraw/zinc/03/23/45/410032345.db2.gz IEFFXYQHKMDNPY-WDEREUQCSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC(C)(C)CN[C@@H]1C[NH2+]C[C@@H](C)C1 401641798 410032461 /nfs/dbraw/zinc/03/24/61/410032461.db2.gz IEFFXYQHKMDNPY-QWRGUYRKSA-N 1 3 198.354 2.010 10 0 AEAEHO CCC(C)(C)CN[C@@H]1C[NH2+]C[C@H](C)C1 401641795 410033862 /nfs/dbraw/zinc/03/38/62/410033862.db2.gz IEFFXYQHKMDNPY-MNOVXSKESA-N 1 3 198.354 2.010 10 0 AEAEHO C[C@H](N)C[C@H](C)[NH2+][C@H](C)C(C)(C)C 650761043 410278086 /nfs/dbraw/zinc/27/80/86/410278086.db2.gz RAHANXBMCSGTRV-LPEHRKFASA-N 1 3 186.343 2.136 10 0 AEAEHO C[C@@H](N)C[C@@H](C)[NH2+][C@H](C)C(C)(C)C 650761044 410278162 /nfs/dbraw/zinc/27/81/62/410278162.db2.gz RAHANXBMCSGTRV-OPRDCNLKSA-N 1 3 186.343 2.136 10 0 AEAEHO C[C@@H](C[C@@H](C)N)[NH2+][C@H](C)C(C)(C)C 650761042 410278259 /nfs/dbraw/zinc/27/82/59/410278259.db2.gz RAHANXBMCSGTRV-KXUCPTDWSA-N 1 3 186.343 2.136 10 0 AEAEHO C[C@H](N)C[C@@H](C)[NH2+][C@H](C)C(C)(C)C 650761041 410279298 /nfs/dbraw/zinc/27/92/98/410279298.db2.gz RAHANXBMCSGTRV-IVZWLZJFSA-N 1 3 186.343 2.136 10 0 AEAEHO CC[C@@H](CCN)[N@@H+]1CCC[C@H](C)CC1 82488870 572039956 /nfs/dbraw/zinc/03/99/56/572039956.db2.gz KSWDYKNAECKQDV-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](CCN)[N@H+]1CCC[C@H](C)CC1 82488870 572039959 /nfs/dbraw/zinc/03/99/59/572039959.db2.gz KSWDYKNAECKQDV-RYUDHWBXSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](CCN)[NH+]1C[C@@H](C)C[C@H](C)C1 36677493 572060225 /nfs/dbraw/zinc/06/02/25/572060225.db2.gz IVUQZXNSGCKQPE-SDDRHHMPSA-N 1 3 198.354 2.092 10 0 AEAEHO CNC[C@H](C)C[N@@H+]1CCCCC[C@@H]1C 69945768 572164932 /nfs/dbraw/zinc/16/49/32/572164932.db2.gz LNIFYJBYSUAKNB-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CNC[C@H](C)C[N@H+]1CCCCC[C@@H]1C 69945768 572164933 /nfs/dbraw/zinc/16/49/33/572164933.db2.gz LNIFYJBYSUAKNB-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)C[NH2+][C@H](C)C[C@@H]1CCCCN1 86498641 572946367 /nfs/dbraw/zinc/94/63/67/572946367.db2.gz DDVPUPQPCAWJBA-NEPJUHHUSA-N 1 3 198.354 2.153 10 0 AEAEHO C[N@H+](CC(C)(C)C)[C@H]1CCCNCC1 82666839 573151298 /nfs/dbraw/zinc/15/12/98/573151298.db2.gz UQLDRQSPNFMACR-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO C[N@@H+](CC(C)(C)C)[C@H]1CCCNCC1 82666839 573151303 /nfs/dbraw/zinc/15/13/03/573151303.db2.gz UQLDRQSPNFMACR-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@@H](N)C(C)(C)C[N@@H+]1CCCC1(C)C 85679537 573113877 /nfs/dbraw/zinc/11/38/77/573113877.db2.gz LNRGHKSFJIEGCH-SNVBAGLBSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](N)C(C)(C)C[N@H+]1CCCC1(C)C 85679537 573113881 /nfs/dbraw/zinc/11/38/81/573113881.db2.gz LNRGHKSFJIEGCH-SNVBAGLBSA-N 1 3 198.354 2.234 10 0 AEAEHO [NH3+]C1(CCN2CCCC2)CCCCC1 82772807 573183764 /nfs/dbraw/zinc/18/37/64/573183764.db2.gz FXOWECARFNQYAC-UHFFFAOYSA-N 1 3 196.338 2.134 10 0 AEAEHO C[C@@H]1CCCCC[N@@H+]1CCC(C)(C)N 82773467 573183971 /nfs/dbraw/zinc/18/39/71/573183971.db2.gz MIPYYUAHVWSHHF-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO C[C@@H]1CCCCC[N@H+]1CCC(C)(C)N 82773467 573183980 /nfs/dbraw/zinc/18/39/80/573183980.db2.gz MIPYYUAHVWSHHF-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO C[C@@H](C[C@@H](C)N)[NH+]1CCC(C)(C)CC1 82802257 573202835 /nfs/dbraw/zinc/20/28/35/573202835.db2.gz VZQSJODCPMKCSS-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)C[C@H](C)[N@@H+]1CCCC(C)(C)C1 82803350 573203603 /nfs/dbraw/zinc/20/36/03/573203603.db2.gz SVMIXKIBIVHWBD-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H](N)C[C@H](C)[N@H+]1CCCC(C)(C)C1 82803350 573203611 /nfs/dbraw/zinc/20/36/11/573203611.db2.gz SVMIXKIBIVHWBD-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](C[C@@H](C)N)[N@@H+]1CCCC(C)(C)C1 82803352 573203263 /nfs/dbraw/zinc/20/32/63/573203263.db2.gz SVMIXKIBIVHWBD-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](C[C@@H](C)N)[N@H+]1CCCC(C)(C)C1 82803352 573203266 /nfs/dbraw/zinc/20/32/66/573203266.db2.gz SVMIXKIBIVHWBD-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](N)C[C@@H](C)[N@@H+]1CCCC(C)(C)C1 82803348 573203330 /nfs/dbraw/zinc/20/33/30/573203330.db2.gz SVMIXKIBIVHWBD-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@@H](N)C[C@@H](C)[N@H+]1CCCC(C)(C)C1 82803348 573203335 /nfs/dbraw/zinc/20/33/35/573203335.db2.gz SVMIXKIBIVHWBD-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO Cc1ccc([C@H](N)C[C@@H](C)[NH3+])cc1C 259370642 573203449 /nfs/dbraw/zinc/20/34/49/573203449.db2.gz MSPJGKPZOJFFGU-ZYHUDNBSSA-N 1 3 192.306 2.041 10 0 AEAEHO CCC[C@@H](C)[N@H+](C)[C@@H](C)C[C@@H](C)N 82802704 573203459 /nfs/dbraw/zinc/20/34/59/573203459.db2.gz JSDLFSMZJPALCP-MXWKQRLJSA-N 1 3 186.343 2.233 10 0 AEAEHO CCC[C@@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)N 82802704 573203464 /nfs/dbraw/zinc/20/34/64/573203464.db2.gz JSDLFSMZJPALCP-MXWKQRLJSA-N 1 3 186.343 2.233 10 0 AEAEHO CCC(CC)C[N@H+](CCCN)C1CC1 129101456 573230107 /nfs/dbraw/zinc/23/01/07/573230107.db2.gz WOSOIBHKNDXVNN-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)C[N@@H+](CCCN)C1CC1 129101456 573230113 /nfs/dbraw/zinc/23/01/13/573230113.db2.gz WOSOIBHKNDXVNN-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)CN(CCC[NH3+])C1CC1 129101456 573230118 /nfs/dbraw/zinc/23/01/18/573230118.db2.gz WOSOIBHKNDXVNN-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[C@H](C)NC[C@]1(C)CCCC[NH2+]1 308525623 573230398 /nfs/dbraw/zinc/23/03/98/573230398.db2.gz IXFYGYWVCNVTFU-RYUDHWBXSA-N 1 3 198.354 2.297 10 0 AEAEHO CNCC1(C[NH2+]CC(C)(C)C)CCC1 259041795 573239354 /nfs/dbraw/zinc/23/93/54/573239354.db2.gz RJNWPMPYGUMZJP-UHFFFAOYSA-N 1 3 198.354 2.012 10 0 AEAEHO CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CN(C)C 308526143 573239606 /nfs/dbraw/zinc/23/96/06/573239606.db2.gz QSLPXYIYNPVCEU-SDDRHHMPSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN(CC)CC[C@H](C)[NH2+]C1CCC1 308523061 573247296 /nfs/dbraw/zinc/24/72/96/573247296.db2.gz PSXJUFBBLJNQHM-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO C[C@@H]1CC[C@H]1NCCC[NH2+]C(C)(C)C 308529442 573251650 /nfs/dbraw/zinc/25/16/50/573251650.db2.gz KIXUFFKVAAJWGF-GHMZBOCLSA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@@H]1CC[C@H]1[NH2+]CCCNC(C)(C)C 308529442 573251656 /nfs/dbraw/zinc/25/16/56/573251656.db2.gz KIXUFFKVAAJWGF-GHMZBOCLSA-N 1 3 198.354 2.153 10 0 AEAEHO C[C@H](N)CC[N@H+](C)[C@@H](C)C(C)(C)C 42747235 573251978 /nfs/dbraw/zinc/25/19/78/573251978.db2.gz QHBMPSCAYFVZOJ-UWVGGRQHSA-N 1 3 186.343 2.090 10 0 AEAEHO C[C@H](N)CC[N@@H+](C)[C@@H](C)C(C)(C)C 42747235 573251986 /nfs/dbraw/zinc/25/19/86/573251986.db2.gz QHBMPSCAYFVZOJ-UWVGGRQHSA-N 1 3 186.343 2.090 10 0 AEAEHO C[C@H]([NH3+])CCN(C)[C@@H](C)C(C)(C)C 42747235 573251993 /nfs/dbraw/zinc/25/19/93/573251993.db2.gz QHBMPSCAYFVZOJ-UWVGGRQHSA-N 1 3 186.343 2.090 10 0 AEAEHO CCC1(CC)CN(CC(C)(C)C[NH3+])C1 129234215 573271752 /nfs/dbraw/zinc/27/17/52/573271752.db2.gz MGVXWPSROIAIGN-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC1(CC)C[NH+](CC(C)(C)CN)C1 129234215 573271762 /nfs/dbraw/zinc/27/17/62/573271762.db2.gz MGVXWPSROIAIGN-UHFFFAOYSA-N 1 3 198.354 2.093 10 0 AEAEHO CC[C@@]1(C[C@@H]2CCC[NH2+]2)CCCCN1 258273805 573272337 /nfs/dbraw/zinc/27/23/37/573272337.db2.gz SBXCCRKKYCMAON-RYUDHWBXSA-N 1 3 196.338 2.051 10 0 AEAEHO CCCC[C@H](C)NCC[C@@H]1CCC[NH2+]1 50889995 573294859 /nfs/dbraw/zinc/29/48/59/573294859.db2.gz CRLWKZSDXUJJIO-RYUDHWBXSA-N 1 3 198.354 2.297 10 0 AEAEHO CC[C@@H](C)[N@@H+]1C[C@@H](CN)CCC1(C)C 259409979 573303139 /nfs/dbraw/zinc/30/31/39/573303139.db2.gz MTWBLTGSSOILOY-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](C)[N@H+]1C[C@@H](CN)CCC1(C)C 259409979 573303143 /nfs/dbraw/zinc/30/31/43/573303143.db2.gz MTWBLTGSSOILOY-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCC[N@@H+]1CCCNC(C)(C)CC1 259410016 573303240 /nfs/dbraw/zinc/30/32/40/573303240.db2.gz MUTCTBCLMICQGO-UHFFFAOYSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCC[N@H+]1CCCNC(C)(C)CC1 259410016 573303245 /nfs/dbraw/zinc/30/32/45/573303245.db2.gz MUTCTBCLMICQGO-UHFFFAOYSA-N 1 3 198.354 2.251 10 0 AEAEHO CCN1CCC[NH2+]C2(CCCCC2)C1 82941417 573313276 /nfs/dbraw/zinc/31/32/76/573313276.db2.gz ZFQHHTJDCSAPFM-UHFFFAOYSA-N 1 3 196.338 2.005 10 0 AEAEHO CC[N@@H+]1CCCNC2(CCCCC2)C1 82941417 573313279 /nfs/dbraw/zinc/31/32/79/573313279.db2.gz ZFQHHTJDCSAPFM-UHFFFAOYSA-N 1 3 196.338 2.005 10 0 AEAEHO CC[N@H+]1CCCNC2(CCCCC2)C1 82941417 573313286 /nfs/dbraw/zinc/31/32/86/573313286.db2.gz ZFQHHTJDCSAPFM-UHFFFAOYSA-N 1 3 196.338 2.005 10 0 AEAEHO CC[C@H](C)C[C@](CC)(C[NH3+])N1CCC1 308547273 573313320 /nfs/dbraw/zinc/31/33/20/573313320.db2.gz QDIPYGAJLYLXMH-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@@H]1CC[NH2+]C2(CCCCC2)CN1C 82942724 573313452 /nfs/dbraw/zinc/31/34/52/573313452.db2.gz LFXJYFIFPSOBRC-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H]1CCNC2(CCCCC2)C[N@@H+]1C 82942724 573313456 /nfs/dbraw/zinc/31/34/56/573313456.db2.gz LFXJYFIFPSOBRC-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO C[C@@H]1CCNC2(CCCCC2)C[N@H+]1C 82942724 573313459 /nfs/dbraw/zinc/31/34/59/573313459.db2.gz LFXJYFIFPSOBRC-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[N@@H+]1CC2(CCCC2)NCC[C@H]1C 82943130 573313588 /nfs/dbraw/zinc/31/35/88/573313588.db2.gz AXZQWZCSLUHPIV-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[N@H+]1CC2(CCCC2)NCC[C@H]1C 82943130 573313593 /nfs/dbraw/zinc/31/35/93/573313593.db2.gz AXZQWZCSLUHPIV-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CCN1CC2(CCCC2)[NH2+]CC[C@H]1C 82943130 573313599 /nfs/dbraw/zinc/31/35/99/573313599.db2.gz AXZQWZCSLUHPIV-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)[N@@H+]1CCCN[C@@H](C(C)(C)C)C1 82941772 573315031 /nfs/dbraw/zinc/31/50/31/573315031.db2.gz RPLHAIKAWXNQSP-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)[N@H+]1CCCN[C@@H](C(C)(C)C)C1 82941772 573315035 /nfs/dbraw/zinc/31/50/35/573315035.db2.gz RPLHAIKAWXNQSP-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC(C)N1CCC[NH2+][C@@H](C(C)(C)C)C1 82941772 573315039 /nfs/dbraw/zinc/31/50/39/573315039.db2.gz RPLHAIKAWXNQSP-LLVKDONJSA-N 1 3 198.354 2.105 10 0 AEAEHO CC1(C)C[C@H]([NH+]2CCCCC2)CCN1 106873908 573324502 /nfs/dbraw/zinc/32/45/02/573324502.db2.gz FVTBBSPBXVZNMB-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CC1(C)C[C@H](N2CCCCC2)CC[NH2+]1 106873908 573324508 /nfs/dbraw/zinc/32/45/08/573324508.db2.gz FVTBBSPBXVZNMB-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)CC[N@@H+]1CC[C@@H](N)CC1(C)C 106876253 573324581 /nfs/dbraw/zinc/32/45/81/573324581.db2.gz QBPLJCPHCKXFQL-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)CC[N@H+]1CC[C@@H](N)CC1(C)C 106876253 573324586 /nfs/dbraw/zinc/32/45/86/573324586.db2.gz QBPLJCPHCKXFQL-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCCC[N@@H+]1CC[C@@H](N)CC1(C)C 259417362 573326647 /nfs/dbraw/zinc/32/66/47/573326647.db2.gz NEKAXDDGRQBNMI-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCCC[N@H+]1CC[C@@H](N)CC1(C)C 259417362 573326653 /nfs/dbraw/zinc/32/66/53/573326653.db2.gz NEKAXDDGRQBNMI-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCCCN1CC[C@@H]([NH3+])CC1(C)C 259417362 573326657 /nfs/dbraw/zinc/32/66/57/573326657.db2.gz NEKAXDDGRQBNMI-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCCC[N@@H+]1CC[C@H](N)CC1(C)C 259417367 573329655 /nfs/dbraw/zinc/32/96/55/573329655.db2.gz NEKAXDDGRQBNMI-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CCCCC[N@H+]1CC[C@H](N)CC1(C)C 259417367 573329661 /nfs/dbraw/zinc/32/96/61/573329661.db2.gz NEKAXDDGRQBNMI-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CCCCCN1CC[C@H]([NH3+])CC1(C)C 259417367 573329665 /nfs/dbraw/zinc/32/96/65/573329665.db2.gz NEKAXDDGRQBNMI-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO C[C@@]1(C[C@H]2CCCC[NH2+]2)CCCCN1 258002895 573331177 /nfs/dbraw/zinc/33/11/77/573331177.db2.gz AMRQYQUYWCAQFK-NEPJUHHUSA-N 1 3 196.338 2.051 10 0 AEAEHO C[C@]1(C[C@@H]2CCCCN2)CCCC[NH2+]1 258002898 573331542 /nfs/dbraw/zinc/33/15/42/573331542.db2.gz AMRQYQUYWCAQFK-NWDGAFQWSA-N 1 3 196.338 2.051 10 0 AEAEHO C[C@]1(C[C@@H]2CCCC[NH2+]2)CCCCN1 258002898 573331548 /nfs/dbraw/zinc/33/15/48/573331548.db2.gz AMRQYQUYWCAQFK-NWDGAFQWSA-N 1 3 196.338 2.051 10 0 AEAEHO C[C@]1(C[C@H]2CCCCN2)CCCC[NH2+]1 258002902 573331572 /nfs/dbraw/zinc/33/15/72/573331572.db2.gz AMRQYQUYWCAQFK-VXGBXAGGSA-N 1 3 196.338 2.051 10 0 AEAEHO C[C@]1(C[C@H]2CCCC[NH2+]2)CCCCN1 258002902 573331579 /nfs/dbraw/zinc/33/15/79/573331579.db2.gz AMRQYQUYWCAQFK-VXGBXAGGSA-N 1 3 196.338 2.051 10 0 AEAEHO C[C@H]1CCCCC[C@@H]1[NH2+]C[C@H](C)CN 308560720 573334689 /nfs/dbraw/zinc/33/46/89/573334689.db2.gz FADSHUCSQTUYOT-WOPDTQHZSA-N 1 3 198.354 2.140 10 0 AEAEHO C[C@H](CN)C[NH2+][C@@H]1CCCCC[C@H]1C 308560718 573337807 /nfs/dbraw/zinc/33/78/07/573337807.db2.gz FADSHUCSQTUYOT-IJLUTSLNSA-N 1 3 198.354 2.140 10 0 AEAEHO CC(C)C[C@@H](C)[NH2+]C[C@@]1(C)CCCN1 308559709 573337845 /nfs/dbraw/zinc/33/78/45/573337845.db2.gz WMXODLABPYWSRI-VXGBXAGGSA-N 1 3 198.354 2.153 10 0 AEAEHO CCNC[C@H]1CCC[N@@H+]1C1CCCC1 129581578 573342433 /nfs/dbraw/zinc/34/24/33/573342433.db2.gz TXQZLWVQVDRXGF-GFCCVEGCSA-N 1 3 196.338 2.003 10 0 AEAEHO CCNC[C@H]1CCC[N@H+]1C1CCCC1 129581578 573342438 /nfs/dbraw/zinc/34/24/38/573342438.db2.gz TXQZLWVQVDRXGF-GFCCVEGCSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H](C)[NH2+]CC[C@H](N)C(C)(C)C 129598868 573347275 /nfs/dbraw/zinc/34/72/75/573347275.db2.gz DWRZRJMZTKVHMJ-UWVGGRQHSA-N 1 3 186.343 2.138 10 0 AEAEHO CC(C)[C@H](C)[N@@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303450 573357337 /nfs/dbraw/zinc/35/73/37/573357337.db2.gz QIHQVVFNACNOOV-RHYQMDGZSA-N 1 3 198.354 2.089 10 0 AEAEHO CC(C)[C@H](C)[N@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303450 573357342 /nfs/dbraw/zinc/35/73/42/573357342.db2.gz QIHQVVFNACNOOV-RHYQMDGZSA-N 1 3 198.354 2.089 10 0 AEAEHO C[C@@H](CN)[C@@H](C)[N@@H+]1CCCC(C)(C)C1 86312688 573357927 /nfs/dbraw/zinc/35/79/27/573357927.db2.gz SDEPJWISXMEQDK-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO C[C@@H](CN)[C@@H](C)[N@H+]1CCCC(C)(C)C1 86312688 573357932 /nfs/dbraw/zinc/35/79/32/573357932.db2.gz SDEPJWISXMEQDK-WDEREUQCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)C[N@@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86304717 573361784 /nfs/dbraw/zinc/36/17/84/573361784.db2.gz CZTKFMNYWLRJKL-USZNOCQGSA-N 1 3 198.354 2.090 10 0 AEAEHO CC[C@H](C)C[N@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86304717 573361789 /nfs/dbraw/zinc/36/17/89/573361789.db2.gz CZTKFMNYWLRJKL-USZNOCQGSA-N 1 3 198.354 2.090 10 0 AEAEHO C[C@H](CN)[C@@H](C)[NH+]1CCC(C)(C)CC1 86312397 573361817 /nfs/dbraw/zinc/36/18/17/573361817.db2.gz GIDXTUQQBKVVRS-GHMZBOCLSA-N 1 3 198.354 2.092 10 0 AEAEHO CCN1CCC[C@@H]1C[C@]1(C)CCC[NH2+]1 258312375 573366112 /nfs/dbraw/zinc/36/61/12/573366112.db2.gz VNDSCQZPBWFLQU-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CCN1CCC[C@H]1C[C@@]1(C)CCC[NH2+]1 258312379 573366182 /nfs/dbraw/zinc/36/61/82/573366182.db2.gz VNDSCQZPBWFLQU-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CC1(C)C[C@@H]1[NH2+]CC[C@@H](N)C(C)(C)C 129611178 573366359 /nfs/dbraw/zinc/36/63/59/573366359.db2.gz HIBWNQCZTSFGST-ZJUUUORDSA-N 1 3 198.354 2.138 10 0 AEAEHO CC1(C)C[C@@H]1NCC[C@@H]([NH3+])C(C)(C)C 129611178 573366366 /nfs/dbraw/zinc/36/63/66/573366366.db2.gz HIBWNQCZTSFGST-ZJUUUORDSA-N 1 3 198.354 2.138 10 0 AEAEHO CCN(CC)[C@H](C)C[C@@H]1CCCC[NH2+]1 126150958 573379321 /nfs/dbraw/zinc/37/93/21/573379321.db2.gz MHVLJLHXHYHARJ-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH+](CC)[C@H](C)C[C@@H]1CCCCN1 126150958 573379328 /nfs/dbraw/zinc/37/93/28/573379328.db2.gz MHVLJLHXHYHARJ-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CCN(CC)[C@@H](C)C[C@@H]1CCCC[NH2+]1 126150736 573379522 /nfs/dbraw/zinc/37/95/22/573379522.db2.gz MHVLJLHXHYHARJ-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH+](CC)[C@@H](C)C[C@@H]1CCCCN1 126150736 573379526 /nfs/dbraw/zinc/37/95/26/573379526.db2.gz MHVLJLHXHYHARJ-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[C@@H](N)CC[NH2+]C[C@H](C)C1CC1 133210458 573384433 /nfs/dbraw/zinc/38/44/33/573384433.db2.gz YUXDQYJVPIKHEX-CMPLNLGQSA-N 1 3 198.354 2.140 10 0 AEAEHO CCN[C@@H](C)CC[NH2+]C[C@H](C)C1CC1 133202214 573385906 /nfs/dbraw/zinc/38/59/06/573385906.db2.gz RSQMTKOWOKEAIW-QWRGUYRKSA-N 1 3 198.354 2.010 10 0 AEAEHO CCN[C@H](C)CC[NH2+]C[C@@H](C)C1CC1 133202098 573386324 /nfs/dbraw/zinc/38/63/24/573386324.db2.gz RSQMTKOWOKEAIW-GHMZBOCLSA-N 1 3 198.354 2.010 10 0 AEAEHO CC[C@H]1CN(C2CCCC2)CCC[NH2+]1 83091565 573396906 /nfs/dbraw/zinc/39/69/06/573396906.db2.gz UVEWDDIAPFRXJL-NSHDSACASA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H]1CN(C2CCCC2)CCC[NH2+]1 83091563 573399294 /nfs/dbraw/zinc/39/92/94/573399294.db2.gz UVEWDDIAPFRXJL-LLVKDONJSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H](C)[C@@H]([NH3+])CCN(CC)CC 86392842 573399329 /nfs/dbraw/zinc/39/93/29/573399329.db2.gz NARKTSLYDJZDGO-QWRGUYRKSA-N 1 3 186.343 2.092 10 0 AEAEHO CC1(C[NH2+][C@@H]2CC[C@@H](N)C2)CCCC1 86400635 573406662 /nfs/dbraw/zinc/40/66/62/573406662.db2.gz LKRMJKOLSDFHPY-GHMZBOCLSA-N 1 3 196.338 2.036 10 0 AEAEHO N[C@@H]1CC[C@H]([NH2+]C2CCCCCC2)C1 86397688 573406683 /nfs/dbraw/zinc/40/66/83/573406683.db2.gz GESMVNCQHGVWRZ-PWSUYJOCSA-N 1 3 196.338 2.179 10 0 AEAEHO C[C@@H]([NH2+][C@H]1CC[C@H](N)C1)C1CCCC1 86400780 573406693 /nfs/dbraw/zinc/40/66/93/573406693.db2.gz FARAIUMTWNXNHH-USWWRNFRSA-N 1 3 196.338 2.035 10 0 AEAEHO N[C@H]1CC[C@@H]([NH2+]C2CCCCCC2)C1 86397682 573406768 /nfs/dbraw/zinc/40/67/68/573406768.db2.gz GESMVNCQHGVWRZ-CMPLNLGQSA-N 1 3 196.338 2.179 10 0 AEAEHO CNCC1([C@@H]([NH2+]C)C(C)(C)C)CCC1 259442162 573412539 /nfs/dbraw/zinc/41/25/39/573412539.db2.gz ONWHRFFXYMAKEI-JTQLQIEISA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)(C)C(C)(C)[NH2+]C[C@@H]1CCCN1 308577013 573412615 /nfs/dbraw/zinc/41/26/15/573412615.db2.gz NCIHAWPIIQNXIG-JTQLQIEISA-N 1 3 198.354 2.153 10 0 AEAEHO C[N@@H+](C1CCCCC1)[C@@H]1CC[C@H](N)C1 86409770 573419366 /nfs/dbraw/zinc/41/93/66/573419366.db2.gz WARJIFHTMYZWRM-CMPLNLGQSA-N 1 3 196.338 2.131 10 0 AEAEHO C[N@H+](C1CCCCC1)[C@@H]1CC[C@H](N)C1 86409770 573419373 /nfs/dbraw/zinc/41/93/73/573419373.db2.gz WARJIFHTMYZWRM-CMPLNLGQSA-N 1 3 196.338 2.131 10 0 AEAEHO N[C@H]1CC[C@@H]([NH+]2CCCCCCC2)C1 86409986 573419500 /nfs/dbraw/zinc/41/95/00/573419500.db2.gz BNHCBVSBKNTSLR-NWDGAFQWSA-N 1 3 196.338 2.132 10 0 AEAEHO CC1(C)CCC[N@@H+]1[C@@H]1CCC[C@H](N)C1 86432818 573423847 /nfs/dbraw/zinc/42/38/47/573423847.db2.gz ZDIIHVKSJGZRCU-WDEREUQCSA-N 1 3 196.338 2.131 10 0 AEAEHO CC1(C)CCC[N@H+]1[C@@H]1CCC[C@H](N)C1 86432818 573423850 /nfs/dbraw/zinc/42/38/50/573423850.db2.gz ZDIIHVKSJGZRCU-WDEREUQCSA-N 1 3 196.338 2.131 10 0 AEAEHO CC1(C)CCC[N@@H+]1[C@H]1CCC[C@H](N)C1 86432819 573424263 /nfs/dbraw/zinc/42/42/63/573424263.db2.gz ZDIIHVKSJGZRCU-QWRGUYRKSA-N 1 3 196.338 2.131 10 0 AEAEHO CC1(C)CCC[N@H+]1[C@H]1CCC[C@H](N)C1 86432819 573424270 /nfs/dbraw/zinc/42/42/70/573424270.db2.gz ZDIIHVKSJGZRCU-QWRGUYRKSA-N 1 3 196.338 2.131 10 0 AEAEHO CCC(C)(C)[N@H+](C)[C@H]1CCC[C@H](N)C1 86432918 573424339 /nfs/dbraw/zinc/42/43/39/573424339.db2.gz BSTVISXRZUDHOT-QWRGUYRKSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC(C)(C)[N@@H+](C)[C@H]1CCC[C@H](N)C1 86432918 573424343 /nfs/dbraw/zinc/42/43/43/573424343.db2.gz BSTVISXRZUDHOT-QWRGUYRKSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC[NH+](CCC)CC[C@@H](N)C1CC1 130005482 573424852 /nfs/dbraw/zinc/42/48/52/573424852.db2.gz YFQFDAQPRPGZTF-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@H+](CC)CC[C@@H](N)C1CC1 130006812 573424900 /nfs/dbraw/zinc/42/49/00/573424900.db2.gz YQNCZKQROBVRLO-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[N@@H+](CC)CC[C@@H](N)C1CC1 130006812 573424906 /nfs/dbraw/zinc/42/49/06/573424906.db2.gz YQNCZKQROBVRLO-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCN(CC)CC[C@@H]([NH3+])C1CC1 130006812 573424915 /nfs/dbraw/zinc/42/49/15/573424915.db2.gz YQNCZKQROBVRLO-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCCN(C)CC[C@@H]([NH3+])C1CC1 130019428 573425156 /nfs/dbraw/zinc/42/51/56/573425156.db2.gz ZETHMICSFFIQHW-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](C)C[N@H+](C)CC[C@H](N)C1CC1 130019627 573427776 /nfs/dbraw/zinc/42/77/76/573427776.db2.gz CWOLDHBLUDXDSI-PWSUYJOCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](C)C[N@@H+](C)CC[C@H](N)C1CC1 130019627 573427783 /nfs/dbraw/zinc/42/77/83/573427783.db2.gz CWOLDHBLUDXDSI-PWSUYJOCSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@@H](C)CN(C)CC[C@H]([NH3+])C1CC1 130019627 573427791 /nfs/dbraw/zinc/42/77/91/573427791.db2.gz CWOLDHBLUDXDSI-PWSUYJOCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCCN(CC)[C@H](CC)CC(N)=[NH2+] 137540864 573427578 /nfs/dbraw/zinc/42/75/78/573427578.db2.gz GSZUVAAJKDCUTD-SNVBAGLBSA-N 1 3 199.342 2.213 10 0 AEAEHO CC(C)CCN(C)CC[C@@H]([NH3+])C1CC1 130048497 573446915 /nfs/dbraw/zinc/44/69/15/573446915.db2.gz YUNQKEOZSLPWPE-GFCCVEGCSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCC(C)(C)[N@@H+]1CC[C@H](NCC)C1 126244508 573446229 /nfs/dbraw/zinc/44/62/29/573446229.db2.gz CQYVPYQYECFOEQ-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC(C)(C)[N@H+]1CC[C@H](NCC)C1 126244508 573446236 /nfs/dbraw/zinc/44/62/36/573446236.db2.gz CQYVPYQYECFOEQ-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)CCN(C)CC[C@H]([NH3+])C1CC1 130048290 573446681 /nfs/dbraw/zinc/44/66/81/573446681.db2.gz YUNQKEOZSLPWPE-LBPRGKRZSA-N 1 3 198.354 2.092 10 0 AEAEHO CCCC(C)(C)C[NH2+]CC[C@@H](C)N 258664117 573469188 /nfs/dbraw/zinc/46/91/88/573469188.db2.gz CAZDPAGVAPGMPZ-SNVBAGLBSA-N 1 3 186.343 2.140 10 0 AEAEHO CCCC(C)(C)C[NH2+]CC[C@H](C)N 258664115 573469396 /nfs/dbraw/zinc/46/93/96/573469396.db2.gz CAZDPAGVAPGMPZ-JTQLQIEISA-N 1 3 186.343 2.140 10 0 AEAEHO CCC(C)(C)[N@H+](C)CC[C@@H](N)C1CC1 130106727 573469850 /nfs/dbraw/zinc/46/98/50/573469850.db2.gz ICTJJPFKWHBJLR-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(C)[N@@H+](C)CC[C@@H](N)C1CC1 130106727 573469855 /nfs/dbraw/zinc/46/98/55/573469855.db2.gz ICTJJPFKWHBJLR-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(C)[N@H+](C)CC[C@H](N)C1CC1 130106518 573470483 /nfs/dbraw/zinc/47/04/83/573470483.db2.gz ICTJJPFKWHBJLR-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CCC(C)(C)[N@@H+](C)CC[C@H](N)C1CC1 130106518 573470486 /nfs/dbraw/zinc/47/04/86/573470486.db2.gz ICTJJPFKWHBJLR-NSHDSACASA-N 1 3 198.354 2.234 10 0 AEAEHO CNCC1(C[NH2+]CCC(C)C)CCC1 258667340 573473026 /nfs/dbraw/zinc/47/30/26/573473026.db2.gz OFGYOGLPPIAXAC-UHFFFAOYSA-N 1 3 198.354 2.012 10 0 AEAEHO CC(C)C[N@@H+]1C[C@H](CN)CCC1(C)C 259463161 573474089 /nfs/dbraw/zinc/47/40/89/573474089.db2.gz QEJRRFJLNYDQGP-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)C[N@H+]1C[C@H](CN)CCC1(C)C 259463161 573474096 /nfs/dbraw/zinc/47/40/96/573474096.db2.gz QEJRRFJLNYDQGP-NSHDSACASA-N 1 3 198.354 2.092 10 0 AEAEHO CC1([NH2+]CC[C@H](N)C2CC2)CCCC1 130116480 573475200 /nfs/dbraw/zinc/47/52/00/573475200.db2.gz OZUWMTMUBGRRDB-NSHDSACASA-N 1 3 196.338 2.036 10 0 AEAEHO CCC(CC)C[N@@H+]1CCC[C@H]1CCN 308593921 573475394 /nfs/dbraw/zinc/47/53/94/573475394.db2.gz QPSXSQSBDIOXQK-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)C[N@H+]1CCC[C@H]1CCN 308593921 573475400 /nfs/dbraw/zinc/47/54/00/573475400.db2.gz QPSXSQSBDIOXQK-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)C[N@@H+]1CCC[C@@H]1CCN 308593919 573475588 /nfs/dbraw/zinc/47/55/88/573475588.db2.gz QPSXSQSBDIOXQK-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)C[N@H+]1CCC[C@@H]1CCN 308593919 573475599 /nfs/dbraw/zinc/47/55/99/573475599.db2.gz QPSXSQSBDIOXQK-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO C[NH2+][C@@H](CC(C)C)C[C@H]1CCCCN1 259466539 573475751 /nfs/dbraw/zinc/47/57/51/573475751.db2.gz PWWGKXLTUWXJIH-NEPJUHHUSA-N 1 3 198.354 2.153 10 0 AEAEHO CCC(CC)[N@@H+]1CCC[C@@H]1C[C@@H](C)N 308596530 573479579 /nfs/dbraw/zinc/47/95/79/573479579.db2.gz SEJRUNRSVYFRFU-ZYHUDNBSSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC(CC)[N@H+]1CCC[C@@H]1C[C@@H](C)N 308596530 573479583 /nfs/dbraw/zinc/47/95/83/573479583.db2.gz SEJRUNRSVYFRFU-ZYHUDNBSSA-N 1 3 198.354 2.377 10 0 AEAEHO CCC(CC)[C@H](C)[NH2+][C@H](C)C1CNC1 686245040 573485851 /nfs/dbraw/zinc/48/58/51/573485851.db2.gz ZIFMXFYOFNQLSR-VHSXEESVSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 130199913 573486602 /nfs/dbraw/zinc/48/66/02/573486602.db2.gz MXXUZOCUTSFMDJ-GRYCIOLGSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[C@@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 130199476 573486644 /nfs/dbraw/zinc/48/66/44/573486644.db2.gz MXXUZOCUTSFMDJ-IJLUTSLNSA-N 1 3 196.338 2.001 10 0 AEAEHO C[N@@H+]1CCCC[C@@H]1C1(N)CCCCC1 258041651 573494397 /nfs/dbraw/zinc/49/43/97/573494397.db2.gz OLELRCPMNNCOJE-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO C[N@H+]1CCCC[C@@H]1C1(N)CCCCC1 258041651 573494401 /nfs/dbraw/zinc/49/44/01/573494401.db2.gz OLELRCPMNNCOJE-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO Cc1ccc([C@@H](N)C[C@H](C)[NH3+])c(C)c1 259110490 573500449 /nfs/dbraw/zinc/50/04/49/573500449.db2.gz BLRUXLYYMWZNIK-JQWIXIFHSA-N 1 3 192.306 2.041 10 0 AEAEHO CC(C)(C)[C@H]1CCC[C@@](N)(C[NH3+])CC1 83438623 573509437 /nfs/dbraw/zinc/50/94/37/573509437.db2.gz HVHMBQVQBADHEP-JQWIXIFHSA-N 1 3 198.354 2.269 10 0 AEAEHO CN[C@@H]1CCC[C@H]([NH+]2CCCCC2)C1 86599029 573508633 /nfs/dbraw/zinc/50/86/33/573508633.db2.gz QLSZDNAISOBZOQ-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO C[NH2+][C@@H]1CCC[C@H](N2CCCCC2)C1 86599029 573508638 /nfs/dbraw/zinc/50/86/38/573508638.db2.gz QLSZDNAISOBZOQ-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CC(C)(C)[C@H]1CCC[C@](N)(C[NH3+])CC1 83438621 573508656 /nfs/dbraw/zinc/50/86/56/573508656.db2.gz HVHMBQVQBADHEP-CMPLNLGQSA-N 1 3 198.354 2.269 10 0 AEAEHO CC(C)(C)[C@@H]1CCC[C@@](N)(C[NH3+])CC1 83438622 573509345 /nfs/dbraw/zinc/50/93/45/573509345.db2.gz HVHMBQVQBADHEP-PWSUYJOCSA-N 1 3 198.354 2.269 10 0 AEAEHO CC[NH2+][C@H]1CCC[C@@H](N2CCCC2)C1 86598848 573509412 /nfs/dbraw/zinc/50/94/12/573509412.db2.gz VGWFANNDQGSPQK-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CCN[C@H]1CCC[C@@H]([NH+]2CCCC2)C1 86598848 573509418 /nfs/dbraw/zinc/50/94/18/573509418.db2.gz VGWFANNDQGSPQK-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CN[C@H]1CC[C@H]([N@H+](C)C2CCCC2)C1 86618722 573519301 /nfs/dbraw/zinc/51/93/01/573519301.db2.gz FRASXKLBFKNZSC-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CN[C@H]1CC[C@H]([N@@H+](C)C2CCCC2)C1 86618722 573519308 /nfs/dbraw/zinc/51/93/08/573519308.db2.gz FRASXKLBFKNZSC-JQWIXIFHSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)(C)C[NH2+][C@@H]1CCNC(C)(C)C1 258733481 573519373 /nfs/dbraw/zinc/51/93/73/573519373.db2.gz HGDUHMLUNNDFHM-SNVBAGLBSA-N 1 3 198.354 2.153 10 0 AEAEHO CCCCC[NH2+][C@H]1CCNC(C)(C)C1 258681761 573532260 /nfs/dbraw/zinc/53/22/60/573532260.db2.gz IMXXXAAPZCGJHZ-NSHDSACASA-N 1 3 198.354 2.297 10 0 AEAEHO CN1CCC[C@@H]1CC1([NH3+])CCCCC1 258054071 573536820 /nfs/dbraw/zinc/53/68/20/573536820.db2.gz PFOOWYQXAXLISA-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO C[NH2+][C@@H](C[C@@H]1CCCCN1)C(C)(C)C 259493475 573537411 /nfs/dbraw/zinc/53/74/11/573537411.db2.gz RMXGDTKQAZTNIY-QWRGUYRKSA-N 1 3 198.354 2.153 10 0 AEAEHO CC(C)C[C@@H](C[C@H]1CCC[NH2+]1)N(C)C 259494088 573537575 /nfs/dbraw/zinc/53/75/75/573537575.db2.gz LIMOQBHLLBWTSY-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO C[NH2+][C@@H](C[C@H]1CCCCN1)C(C)(C)C 259493473 573537976 /nfs/dbraw/zinc/53/79/76/573537976.db2.gz RMXGDTKQAZTNIY-MNOVXSKESA-N 1 3 198.354 2.153 10 0 AEAEHO CCCCC[NH2+]CC1(CNC)CCC1 258764443 573546191 /nfs/dbraw/zinc/54/61/91/573546191.db2.gz YEVKGIZZJKGFLI-UHFFFAOYSA-N 1 3 198.354 2.156 10 0 AEAEHO CCN[C@H]1CC[N@H+](CC(CC)CC)C1 130383902 573568593 /nfs/dbraw/zinc/56/85/93/573568593.db2.gz WJFFHGCLBRFVEK-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN[C@H]1CC[N@@H+](CC(CC)CC)C1 130383902 573568597 /nfs/dbraw/zinc/56/85/97/573568597.db2.gz WJFFHGCLBRFVEK-LBPRGKRZSA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@H](CN)C[NH2+]CCC1(C)CCCC1 308624444 573568617 /nfs/dbraw/zinc/56/86/17/573568617.db2.gz ZPHIPWAGLDSWMI-LLVKDONJSA-N 1 3 198.354 2.141 10 0 AEAEHO CCN[C@@H]1CC[N@H+](CC(CC)CC)C1 130384116 573568652 /nfs/dbraw/zinc/56/86/52/573568652.db2.gz WJFFHGCLBRFVEK-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CCN[C@@H]1CC[N@@H+](CC(CC)CC)C1 130384116 573568657 /nfs/dbraw/zinc/56/86/57/573568657.db2.gz WJFFHGCLBRFVEK-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@H](CN)C[N@H+](C)CCC1CCCC1 258805094 573583972 /nfs/dbraw/zinc/58/39/72/573583972.db2.gz RSRWIKYDUFSVNV-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO C[C@H](CN)C[N@@H+](C)CCC1CCCC1 258805094 573583977 /nfs/dbraw/zinc/58/39/77/573583977.db2.gz RSRWIKYDUFSVNV-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO C[C@H](C[NH3+])CN(C)CCC1CCCC1 258805094 573583984 /nfs/dbraw/zinc/58/39/84/573583984.db2.gz RSRWIKYDUFSVNV-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO C[NH2+]C(C)(C)CNCCCC(C)C 258797446 573585815 /nfs/dbraw/zinc/58/58/15/573585815.db2.gz DDMVDIHHUDCWSP-UHFFFAOYSA-N 1 3 186.343 2.010 10 0 AEAEHO C[C@@H](CN)C[N@H+](C)CCC1CCCC1 258805096 573586266 /nfs/dbraw/zinc/58/62/66/573586266.db2.gz RSRWIKYDUFSVNV-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO C[C@@H](CN)C[N@@H+](C)CCC1CCCC1 258805096 573586269 /nfs/dbraw/zinc/58/62/69/573586269.db2.gz RSRWIKYDUFSVNV-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO C[C@@H](C[NH3+])CN(C)CCC1CCCC1 258805096 573586274 /nfs/dbraw/zinc/58/62/74/573586274.db2.gz RSRWIKYDUFSVNV-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO C[C@H](N)CC[N@@H+]1CCCC(C)(C)CC1 83680327 573590778 /nfs/dbraw/zinc/59/07/78/573590778.db2.gz IUIQCNAKCGQIDF-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO C[C@H](N)CC[N@H+]1CCCC(C)(C)CC1 83680327 573590786 /nfs/dbraw/zinc/59/07/86/573590786.db2.gz IUIQCNAKCGQIDF-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC(C)(C)CNCC[NH2+]C1CC1 258813275 573590870 /nfs/dbraw/zinc/59/08/70/573590870.db2.gz DTWVEWYBRUOAIW-UHFFFAOYSA-N 1 3 198.354 2.154 10 0 AEAEHO CCCCC[N@@H+]1CC[C@@H](CNC)[C@H]1C 259136816 573592154 /nfs/dbraw/zinc/59/21/54/573592154.db2.gz DLLYUDBSKDSCMH-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@H+]1CC[C@@H](CNC)[C@H]1C 259136816 573592158 /nfs/dbraw/zinc/59/21/58/573592158.db2.gz DLLYUDBSKDSCMH-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)[C@H](CN)[C@H]([NH3+])C1CCCCC1 259139193 573598099 /nfs/dbraw/zinc/59/80/99/573598099.db2.gz BAOHSRPTCARVJT-NWDGAFQWSA-N 1 3 198.354 2.125 10 0 AEAEHO CC(C)CCCC[NH2+][C@H](C)C1CNC1 686243549 573598456 /nfs/dbraw/zinc/59/84/56/573598456.db2.gz GWPSRPBZOMNGLL-LLVKDONJSA-N 1 3 198.354 2.010 10 0 AEAEHO CC(C)[C@H](CN)[C@@H]([NH3+])C1CCCCC1 259139195 573598464 /nfs/dbraw/zinc/59/84/64/573598464.db2.gz BAOHSRPTCARVJT-RYUDHWBXSA-N 1 3 198.354 2.125 10 0 AEAEHO CC(C)[C@@H](CN)[C@H]([NH3+])C1CCCCC1 259139197 573598715 /nfs/dbraw/zinc/59/87/15/573598715.db2.gz BAOHSRPTCARVJT-VXGBXAGGSA-N 1 3 198.354 2.125 10 0 AEAEHO C[C@@H]1CC[C@H]([NH2+]CCC(C)(C)N)[C@@H]1C 393667488 573609849 /nfs/dbraw/zinc/60/98/49/573609849.db2.gz DIXCGKLEFPLWSL-MXWKQRLJSA-N 1 3 198.354 2.138 10 0 AEAEHO C[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)N)[C@@H]1C 393667487 573609864 /nfs/dbraw/zinc/60/98/64/573609864.db2.gz DIXCGKLEFPLWSL-GMTAPVOTSA-N 1 3 198.354 2.138 10 0 AEAEHO CC[C@H](CN)[C@@H]([NH2+]C)C1CCCCC1 259128056 573610242 /nfs/dbraw/zinc/61/02/42/573610242.db2.gz GTQHKSMYMCYQNZ-ZYHUDNBSSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@@H](CN)[C@H]([NH2+]C)C1CCCCC1 259128050 573611302 /nfs/dbraw/zinc/61/13/02/573611302.db2.gz GTQHKSMYMCYQNZ-JQWIXIFHSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[C@@H](CN)[C@@H]([NH2+]C)C1CCCCC1 259128047 573611434 /nfs/dbraw/zinc/61/14/34/573611434.db2.gz GTQHKSMYMCYQNZ-CMPLNLGQSA-N 1 3 198.354 2.140 10 0 AEAEHO C[NH2+]CC(C)(C)NCC1CCCCC1 258825473 573629174 /nfs/dbraw/zinc/62/91/74/573629174.db2.gz LTGVEKUPJCHYTK-UHFFFAOYSA-N 1 3 198.354 2.154 10 0 AEAEHO C[C@@H]1CCCC[N@@H+]1CCC1(N)CCC1 86853794 573656597 /nfs/dbraw/zinc/65/65/97/573656597.db2.gz JEUMZTSTTQJHAN-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO C[C@@H]1CCCC[N@H+]1CCC1(N)CCC1 86853794 573656598 /nfs/dbraw/zinc/65/65/98/573656598.db2.gz JEUMZTSTTQJHAN-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO C[C@@H]1CCCCN1CCC1([NH3+])CCC1 86853794 573656605 /nfs/dbraw/zinc/65/66/05/573656605.db2.gz JEUMZTSTTQJHAN-LLVKDONJSA-N 1 3 196.338 2.132 10 0 AEAEHO C[N@H+](CCC1CCC1)C(C)(C)CCN 258862342 573663790 /nfs/dbraw/zinc/66/37/90/573663790.db2.gz OPTCYFOJVLDVGF-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO C[N@@H+](CCC1CCC1)C(C)(C)CCN 258862342 573663797 /nfs/dbraw/zinc/66/37/97/573663797.db2.gz OPTCYFOJVLDVGF-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)[N@H+](C)C[C@@H]1CCC(C)(C)[C@@H]1N 86871103 573664154 /nfs/dbraw/zinc/66/41/54/573664154.db2.gz ICUIKJQVZOFVML-WDEREUQCSA-N 1 3 198.354 2.090 10 0 AEAEHO CC(C)[N@@H+](C)C[C@@H]1CCC(C)(C)[C@@H]1N 86871103 573664162 /nfs/dbraw/zinc/66/41/62/573664162.db2.gz ICUIKJQVZOFVML-WDEREUQCSA-N 1 3 198.354 2.090 10 0 AEAEHO CCCC[C@@H](CC)CN1CC[C@@H]([NH3+])C1 130838288 573682862 /nfs/dbraw/zinc/68/28/62/573682862.db2.gz NDVJGPJEUDBRHI-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCC[C@H](CC)CN1CC[C@@H]([NH3+])C1 130838462 573682789 /nfs/dbraw/zinc/68/27/89/573682789.db2.gz NDVJGPJEUDBRHI-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](C)[N@@H+]1CCC[C@H](CN)C1(C)C 259170294 573686789 /nfs/dbraw/zinc/68/67/89/573686789.db2.gz ARHWPLQPTASMIZ-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](C)[N@H+]1CCC[C@H](CN)C1(C)C 259170294 573686795 /nfs/dbraw/zinc/68/67/95/573686795.db2.gz ARHWPLQPTASMIZ-GHMZBOCLSA-N 1 3 198.354 2.234 10 0 AEAEHO CCCCNCC1([NH2+]C)CCCCC1 308689112 573706548 /nfs/dbraw/zinc/70/65/48/573706548.db2.gz QUSIMUVLTZLADY-UHFFFAOYSA-N 1 3 198.354 2.298 10 0 AEAEHO C[C@H](N)CC[NH2+][C@]1(C)CCCC[C@H]1C 308690921 573707224 /nfs/dbraw/zinc/70/72/24/573707224.db2.gz GEQWYTPYOLBMBX-GRYCIOLGSA-N 1 3 198.354 2.282 10 0 AEAEHO C[C@H]1CC[C@H](C)[N@H+](CCC(C)(C)N)C1 84052004 573754926 /nfs/dbraw/zinc/75/49/26/573754926.db2.gz VCDATTASOVYRFM-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CC[C@H](C)[N@@H+](CCC(C)(C)N)C1 84052004 573754927 /nfs/dbraw/zinc/75/49/27/573754927.db2.gz VCDATTASOVYRFM-QWRGUYRKSA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CC[C@@H](C)C[N@H+]1CCC(C)(C)N 84052001 573755780 /nfs/dbraw/zinc/75/57/80/573755780.db2.gz VCDATTASOVYRFM-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO C[C@H]1CC[C@@H](C)C[N@@H+]1CCC(C)(C)N 84052001 573755787 /nfs/dbraw/zinc/75/57/87/573755787.db2.gz VCDATTASOVYRFM-MNOVXSKESA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H](C)[N@H+](CCCN)CC(C)C 43417260 573757517 /nfs/dbraw/zinc/75/75/17/573757517.db2.gz ASRJXYHIQPETIN-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H](C)[N@@H+](CCCN)CC(C)C 43417260 573757523 /nfs/dbraw/zinc/75/75/23/573757523.db2.gz ASRJXYHIQPETIN-LLVKDONJSA-N 1 3 186.343 2.092 10 0 AEAEHO CC(C)(C)CCNCC[C@@H]1CCC[NH2+]1 259178344 573768425 /nfs/dbraw/zinc/76/84/25/573768425.db2.gz ZAADWHNZVPFACT-NSHDSACASA-N 1 3 198.354 2.154 10 0 AEAEHO Cc1ccc(C)c([C@@H](N)C[C@H](C)[NH3+])c1 259179979 573774975 /nfs/dbraw/zinc/77/49/75/573774975.db2.gz FFKIZNLYRMXINE-JQWIXIFHSA-N 1 3 192.306 2.041 10 0 AEAEHO CC[C@H](C)[C@H](C)[NH2+][C@H](CC)C1CNC1 716170005 573775655 /nfs/dbraw/zinc/77/56/55/573775655.db2.gz ZHNUHQDKZHQMKA-JBLDHEPKSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[NH2+][C@@H](C)C[C@H](C)N(C)C1CCC1 127294377 573794481 /nfs/dbraw/zinc/79/44/81/573794481.db2.gz QKQLCVURQLJDQE-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO C1CCCCC[NH2+]CCNCCCC1 238103647 573794776 /nfs/dbraw/zinc/79/47/76/573794776.db2.gz XWKJNOUHHYPCBH-UHFFFAOYSA-N 1 3 198.354 2.300 10 0 AEAEHO CCC[NH2+][C@H](C)CCN(C)C1CCC1 127301471 573795012 /nfs/dbraw/zinc/79/50/12/573795012.db2.gz PLJOGFLCNQNNTA-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+][C@@H](C)C[C@@H](C)N(C)C1CCC1 127293952 573795361 /nfs/dbraw/zinc/79/53/61/573795361.db2.gz QKQLCVURQLJDQE-WDEREUQCSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H](C)[N@@H+]1CC[C@H](CNC)C1(C)C 259571186 573804686 /nfs/dbraw/zinc/80/46/86/573804686.db2.gz YPGMTLDFDMOEGY-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@H](C)[N@H+]1CC[C@H](CNC)C1(C)C 259571186 573804690 /nfs/dbraw/zinc/80/46/90/573804690.db2.gz YPGMTLDFDMOEGY-WDEREUQCSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCCN(C)CC1(C[NH2+]C)CC1 258957836 573804996 /nfs/dbraw/zinc/80/49/96/573804996.db2.gz RNFJCTHXVKYMMA-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CCCCC[N@H+](C)CC1(CNC)CC1 258957836 573805008 /nfs/dbraw/zinc/80/50/08/573805008.db2.gz RNFJCTHXVKYMMA-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CCCCC[N@@H+](C)CC1(CNC)CC1 258957836 573805014 /nfs/dbraw/zinc/80/50/14/573805014.db2.gz RNFJCTHXVKYMMA-UHFFFAOYSA-N 1 3 198.354 2.108 10 0 AEAEHO CC[C@@H](C)[N@@H+]1CC[C@H](CNC)C1(C)C 259571180 573805158 /nfs/dbraw/zinc/80/51/58/573805158.db2.gz YPGMTLDFDMOEGY-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[N@H+]1CC[C@H](CNC)C1(C)C 259571180 573805173 /nfs/dbraw/zinc/80/51/73/573805173.db2.gz YPGMTLDFDMOEGY-GHMZBOCLSA-N 1 3 198.354 2.105 10 0 AEAEHO C[C@H](CCN)[N@H+](C)C1CCCCCC1 41042658 573807804 /nfs/dbraw/zinc/80/78/04/573807804.db2.gz ZXEBUEBKGCPAGQ-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO C[C@H](CCN)[N@@H+](C)C1CCCCCC1 41042658 573807811 /nfs/dbraw/zinc/80/78/11/573807811.db2.gz ZXEBUEBKGCPAGQ-LLVKDONJSA-N 1 3 198.354 2.378 10 0 AEAEHO CCC[C@@H](C)N(CCC(N)=[NH2+])C(C)C 233275513 573823494 /nfs/dbraw/zinc/82/34/94/573823494.db2.gz MJTXCORDPNPSHE-SNVBAGLBSA-N 1 3 199.342 2.211 10 0 AEAEHO CC(C)(C)C[C@@H](N)C[NH+]1CCCCC1 258148833 573826244 /nfs/dbraw/zinc/82/62/44/573826244.db2.gz MWDIHVQLSPQOAY-LLVKDONJSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H]1CN(CC=C(C)C)CC[C@@H]1[NH3+] 122800386 573826480 /nfs/dbraw/zinc/82/64/80/573826480.db2.gz FWWBOZMFAJNPIB-RYUDHWBXSA-N 1 3 196.338 2.012 10 0 AEAEHO CC(C)CCCC[NH2+]CC[C@H](C)N 147594290 573830280 /nfs/dbraw/zinc/83/02/80/573830280.db2.gz AHKWRADJDOMYOJ-NSHDSACASA-N 1 3 186.343 2.140 10 0 AEAEHO CC(C)CC[N@@H+](C1CC1)[C@H](C)CCN 109272092 573830526 /nfs/dbraw/zinc/83/05/26/573830526.db2.gz YAKHBBDAUJYDIH-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)CC[N@H+](C1CC1)[C@H](C)CCN 109272092 573830531 /nfs/dbraw/zinc/83/05/31/573830531.db2.gz YAKHBBDAUJYDIH-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO CC(C)CCN(C1CC1)[C@H](C)CC[NH3+] 109272092 573830537 /nfs/dbraw/zinc/83/05/37/573830537.db2.gz YAKHBBDAUJYDIH-LLVKDONJSA-N 1 3 198.354 2.234 10 0 AEAEHO N[C@@H]1CCCCC[C@H]1C[NH2+]C1CCC1 87222632 573832543 /nfs/dbraw/zinc/83/25/43/573832543.db2.gz UYRJGHZRTCVOBM-CMPLNLGQSA-N 1 3 196.338 2.036 10 0 AEAEHO CC(C)(C)[NH2+]C[C@H]1CCCCC[C@H]1N 87222508 573832569 /nfs/dbraw/zinc/83/25/69/573832569.db2.gz JVBORTQKSZSIMN-GHMZBOCLSA-N 1 3 198.354 2.282 10 0 AEAEHO CC[C@H](CN)[C@H](C1CCCC1)[NH+](C)C 259573570 573835238 /nfs/dbraw/zinc/83/52/38/573835238.db2.gz PJYVJFOPEQSBHY-ZYHUDNBSSA-N 1 3 198.354 2.092 10 0 AEAEHO N[C@H]1CCCCC[C@H]1C[NH2+]C1CCC1 87222636 573835818 /nfs/dbraw/zinc/83/58/18/573835818.db2.gz UYRJGHZRTCVOBM-JQWIXIFHSA-N 1 3 196.338 2.036 10 0 AEAEHO [NH3+][C@@H](CNC1CCC1)C1CCCCC1 258153654 573837885 /nfs/dbraw/zinc/83/78/85/573837885.db2.gz HHVJJFZNGSBSPI-LBPRGKRZSA-N 1 3 196.338 2.036 10 0 AEAEHO CC[C@@H](CN)[C@H](C1CCCC1)[NH+](C)C 259573563 573838028 /nfs/dbraw/zinc/83/80/28/573838028.db2.gz PJYVJFOPEQSBHY-CMPLNLGQSA-N 1 3 198.354 2.092 10 0 AEAEHO CC[C@H](C)[NH2+][C@H](C)CCN1CCCC1 308761543 573841835 /nfs/dbraw/zinc/84/18/35/573841835.db2.gz YCKKBWNMKNNKBA-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCCC[NH2+][C@H]1CCC[C@@H]1CN(C)C 308761561 573841891 /nfs/dbraw/zinc/84/18/91/573841891.db2.gz YCPUIROYOHYFKX-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO C[C@H]1CCCC[C@]1(C)[NH2+]C[C@H](C)CN 308760397 573842399 /nfs/dbraw/zinc/84/23/99/573842399.db2.gz WXIUPXKTTBTMGH-WOPDTQHZSA-N 1 3 198.354 2.140 10 0 AEAEHO CC[NH2+][C@H](C)CCN1CCCC[C@@H]1C 43810191 573861677 /nfs/dbraw/zinc/86/16/77/573861677.db2.gz YAHBRLVBXASXGZ-NEPJUHHUSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+][C@H](C)CCN1CCC(C)CC1 43806787 573862325 /nfs/dbraw/zinc/86/23/25/573862325.db2.gz GKKGAZHSLNVUBZ-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCN(CC[C@H](C)[NH2+]C)C1CC1 43968114 573875796 /nfs/dbraw/zinc/87/57/96/573875796.db2.gz ULQRUZBZXPQDRF-NSHDSACASA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[N@H+](CC[C@@H](C)NC)C(C)C 43885052 573875871 /nfs/dbraw/zinc/87/58/71/573875871.db2.gz IVFRILKPTBIBLL-LLVKDONJSA-N 1 3 186.343 2.105 10 0 AEAEHO CCC[N@@H+](CC[C@@H](C)NC)C(C)C 43885052 573875874 /nfs/dbraw/zinc/87/58/74/573875874.db2.gz IVFRILKPTBIBLL-LLVKDONJSA-N 1 3 186.343 2.105 10 0 AEAEHO CCN[C@H](C)CC[NH2+][C@H](C)C(C)C 716314055 573875973 /nfs/dbraw/zinc/87/59/73/573875973.db2.gz PTCONKXMJWUMEX-GHMZBOCLSA-N 1 3 186.343 2.009 10 0 AEAEHO CC[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 40621995 573878031 /nfs/dbraw/zinc/87/80/31/573878031.db2.gz OOIQZCJTJKASAC-NEPJUHHUSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 40621999 573878092 /nfs/dbraw/zinc/87/80/92/573878092.db2.gz OOIQZCJTJKASAC-VXGBXAGGSA-N 1 3 198.354 2.105 10 0 AEAEHO CNCC1([C@H](CC(C)C)[NH2+]C)CCC1 259578901 573878343 /nfs/dbraw/zinc/87/83/43/573878343.db2.gz XDBOADUFKADXFD-NSHDSACASA-N 1 3 198.354 2.010 10 0 AEAEHO C[NH2+][C@@H](C)CCN(CC(C)C)C1CC1 43972236 573878733 /nfs/dbraw/zinc/87/87/33/573878733.db2.gz QVIRENODAACUKP-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H](C)CC[N@H+](CC(C)C)C1CC1 43972236 573878739 /nfs/dbraw/zinc/87/87/39/573878739.db2.gz QVIRENODAACUKP-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CN[C@@H](C)CC[N@@H+](CC(C)C)C1CC1 43972236 573878744 /nfs/dbraw/zinc/87/87/44/573878744.db2.gz QVIRENODAACUKP-NSHDSACASA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCCN1CC[C@H]([NH3+])C(C)(C)C1 259226233 573903385 /nfs/dbraw/zinc/90/33/85/573903385.db2.gz KRZDUANWYCAOBZ-NSHDSACASA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[NH2+][C@H](C)CN[C@H](C)C(C)C 716360177 573903388 /nfs/dbraw/zinc/90/33/88/573903388.db2.gz QOWVBSSKXAWHSC-GHMZBOCLSA-N 1 3 186.343 2.009 10 0 AEAEHO CC(C)CC[N@@H+]1C[C@@H](CN)CC[C@@H]1C 44412919 573907047 /nfs/dbraw/zinc/90/70/47/573907047.db2.gz AWBVDOAQSAWIPA-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)CC[N@H+]1C[C@@H](CN)CC[C@@H]1C 44412919 573907051 /nfs/dbraw/zinc/90/70/51/573907051.db2.gz AWBVDOAQSAWIPA-NWDGAFQWSA-N 1 3 198.354 2.092 10 0 AEAEHO CC(C)[N@H+](CCCN)CC1CCCC1 42011106 573913926 /nfs/dbraw/zinc/91/39/26/573913926.db2.gz LRUBQYKTXQQILO-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)[N@@H+](CCCN)CC1CCCC1 42011106 573913930 /nfs/dbraw/zinc/91/39/30/573913930.db2.gz LRUBQYKTXQQILO-UHFFFAOYSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCNCCC[NH2+]CCC(C)C 127568669 573914188 /nfs/dbraw/zinc/91/41/88/573914188.db2.gz MSSREVRNXUEURJ-UHFFFAOYSA-N 1 3 186.343 2.012 10 0 AEAEHO CCC[NH2+]CCCNCCC(C)C 127568669 573914194 /nfs/dbraw/zinc/91/41/94/573914194.db2.gz MSSREVRNXUEURJ-UHFFFAOYSA-N 1 3 186.343 2.012 10 0 AEAEHO CCC(CC)N(C)CC[C@H]1CCC[NH2+]1 42172099 573915470 /nfs/dbraw/zinc/91/54/70/573915470.db2.gz PTAIAWMRZSEKDY-LLVKDONJSA-N 1 3 198.354 2.249 10 0 AEAEHO CC(C)(CCN)[NH2+]C1CCCCC1 259016203 573934570 /nfs/dbraw/zinc/93/45/70/573934570.db2.gz RRUQBYVRMPUPIZ-UHFFFAOYSA-N 1 3 184.327 2.036 10 0 AEAEHO CC[C@@H](N)CC[N@@H+]1[C@@H](C)CCC[C@H]1C 127770958 573937400 /nfs/dbraw/zinc/93/74/00/573937400.db2.gz NGPCBGWVFUXGML-GRYCIOLGSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[C@@H](N)CC[N@H+]1[C@@H](C)CCC[C@H]1C 127770958 573937402 /nfs/dbraw/zinc/93/74/02/573937402.db2.gz NGPCBGWVFUXGML-GRYCIOLGSA-N 1 3 198.354 2.377 10 0 AEAEHO CC[C@@H](C)CNCC1([NH2+]C)CCCC1 308467708 573940689 /nfs/dbraw/zinc/94/06/89/573940689.db2.gz ACODNVQRMBTMNI-LLVKDONJSA-N 1 3 198.354 2.154 10 0 AEAEHO CCC[NH2+]CCCN(C)[C@@H](C)C1CC1 42409600 573940724 /nfs/dbraw/zinc/94/07/24/573940724.db2.gz PAACMUWOTOYODU-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCCNCCC[N@H+](C)[C@@H](C)C1CC1 42409600 573940726 /nfs/dbraw/zinc/94/07/26/573940726.db2.gz PAACMUWOTOYODU-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCCNCCC[N@@H+](C)[C@@H](C)C1CC1 42409600 573940733 /nfs/dbraw/zinc/94/07/33/573940733.db2.gz PAACMUWOTOYODU-NSHDSACASA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCCN(C)CC[C@H]([NH3+])CC 127782207 573941192 /nfs/dbraw/zinc/94/11/92/573941192.db2.gz KTZDYCZKZDLRFF-LLVKDONJSA-N 1 3 186.343 2.236 10 0 AEAEHO CC[NH2+]CCCN1CCCCCCC1 42409434 573941305 /nfs/dbraw/zinc/94/13/05/573941305.db2.gz QINMLIANJJELCX-UHFFFAOYSA-N 1 3 198.354 2.252 10 0 AEAEHO CCNCCC[NH+]1CCCCCCC1 42409434 573941310 /nfs/dbraw/zinc/94/13/10/573941310.db2.gz QINMLIANJJELCX-UHFFFAOYSA-N 1 3 198.354 2.252 10 0 AEAEHO CCC[NH2+]CCCN1CCC[C@H]1CC 42409124 573941338 /nfs/dbraw/zinc/94/13/38/573941338.db2.gz DKRHPIQVTPXJRA-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCNCCC[N@@H+]1CCC[C@H]1CC 42409124 573941343 /nfs/dbraw/zinc/94/13/43/573941343.db2.gz DKRHPIQVTPXJRA-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCCNCCC[N@H+]1CCC[C@H]1CC 42409124 573941345 /nfs/dbraw/zinc/94/13/45/573941345.db2.gz DKRHPIQVTPXJRA-GFCCVEGCSA-N 1 3 198.354 2.251 10 0 AEAEHO CCC[NH2+]CCCN1CCC[C@@H](C)C1 42409219 573941431 /nfs/dbraw/zinc/94/14/31/573941431.db2.gz VESCFJYVCNYSLT-GFCCVEGCSA-N 1 3 198.354 2.108 10 0 AEAEHO CC[C@@H](C)C[N@H+](C)CC[C@H](N)CC 127782709 573941603 /nfs/dbraw/zinc/94/16/03/573941603.db2.gz VRXGTBBWZQJQQP-GHMZBOCLSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H](C)C[N@@H+](C)CC[C@H](N)CC 127782709 573941605 /nfs/dbraw/zinc/94/16/05/573941605.db2.gz VRXGTBBWZQJQQP-GHMZBOCLSA-N 1 3 186.343 2.092 10 0 AEAEHO CC[C@@H](C)CN(C)CC[C@H]([NH3+])CC 127782709 573941612 /nfs/dbraw/zinc/94/16/12/573941612.db2.gz VRXGTBBWZQJQQP-GHMZBOCLSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC[NH2+]CCCN(CC)C(C)C 42409486 573941672 /nfs/dbraw/zinc/94/16/72/573941672.db2.gz FYGWNRVLZPXNNE-UHFFFAOYSA-N 1 3 186.343 2.106 10 0 AEAEHO CCCNCCC[N@H+](CC)C(C)C 42409486 573941681 /nfs/dbraw/zinc/94/16/81/573941681.db2.gz FYGWNRVLZPXNNE-UHFFFAOYSA-N 1 3 186.343 2.106 10 0 AEAEHO CCCNCCC[N@@H+](CC)C(C)C 42409486 573941689 /nfs/dbraw/zinc/94/16/89/573941689.db2.gz FYGWNRVLZPXNNE-UHFFFAOYSA-N 1 3 186.343 2.106 10 0 AEAEHO CCC[NH2+]CCCN(C)[C@H](C)C1CC1 42409601 573941704 /nfs/dbraw/zinc/94/17/04/573941704.db2.gz PAACMUWOTOYODU-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO C[N@H+](CCCNC1CC1)CC(C)(C)C 45086614 573941708 /nfs/dbraw/zinc/94/17/08/573941708.db2.gz BUDVPNZIGAMDCE-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCNCCC[N@H+](C)[C@H](C)C1CC1 42409601 573941709 /nfs/dbraw/zinc/94/17/09/573941709.db2.gz PAACMUWOTOYODU-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCNCCC[N@@H+](C)[C@H](C)C1CC1 42409601 573941714 /nfs/dbraw/zinc/94/17/14/573941714.db2.gz PAACMUWOTOYODU-LLVKDONJSA-N 1 3 198.354 2.106 10 0 AEAEHO C[N@@H+](CCCNC1CC1)CC(C)(C)C 45086614 573941715 /nfs/dbraw/zinc/94/17/15/573941715.db2.gz BUDVPNZIGAMDCE-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CN(CCC[NH2+]C1CC1)CC(C)(C)C 45086614 573941724 /nfs/dbraw/zinc/94/17/24/573941724.db2.gz BUDVPNZIGAMDCE-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO Cc1ccc([C@@H](N)CC(C)(C)[NH3+])cc1 259249206 573952002 /nfs/dbraw/zinc/95/20/02/573952002.db2.gz IAPMGEDAWIZWMO-NSHDSACASA-N 1 3 192.306 2.122 10 0 AEAEHO CC[C@H]1CC[C@@H](C)[N@H+](CCCNC)C1 308471485 573952332 /nfs/dbraw/zinc/95/23/32/573952332.db2.gz JNYINTROQSRFJU-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H]1CC[C@@H](C)[N@@H+](CCCNC)C1 308471485 573952335 /nfs/dbraw/zinc/95/23/35/573952335.db2.gz JNYINTROQSRFJU-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[N@H+](CC)C[C@@H](C)CN 42442931 573952455 /nfs/dbraw/zinc/95/24/55/573952455.db2.gz ZHTYVAHPKQCXCP-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CCCCC[N@@H+](CC)C[C@@H](C)CN 42442931 573952460 /nfs/dbraw/zinc/95/24/60/573952460.db2.gz ZHTYVAHPKQCXCP-NSHDSACASA-N 1 3 186.343 2.093 10 0 AEAEHO CCCCCN(CC)C[C@@H](C)C(N)=[NH2+] 42445916 573955509 /nfs/dbraw/zinc/95/55/09/573955509.db2.gz OJCNMXSSAWRTIM-SNVBAGLBSA-N 1 3 199.342 2.071 10 0 AEAEHO CCCCC[N@@H+]1C[C@@H](CN)CC[C@@H]1C 42427286 573955561 /nfs/dbraw/zinc/95/55/61/573955561.db2.gz MFXZESSHPBONFC-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CCCCC[N@H+]1C[C@@H](CN)CC[C@@H]1C 42427286 573955567 /nfs/dbraw/zinc/95/55/67/573955567.db2.gz MFXZESSHPBONFC-NWDGAFQWSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H]1CC[C@H](C)[N@H+](CCCNC)C1 308471487 573955995 /nfs/dbraw/zinc/95/59/95/573955995.db2.gz JNYINTROQSRFJU-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H]1CC[C@H](C)[N@@H+](CCCNC)C1 308471487 573955999 /nfs/dbraw/zinc/95/59/99/573955999.db2.gz JNYINTROQSRFJU-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)CCN(CCC(N)=[NH2+])C(C)C 42529693 573963235 /nfs/dbraw/zinc/96/32/35/573963235.db2.gz AJIPURDRDMLZBO-UHFFFAOYSA-N 1 3 199.342 2.069 10 0 AEAEHO CCNC[C@H](CC)[N@@H+]1CC[C@H](CC)C1 127789036 573963491 /nfs/dbraw/zinc/96/34/91/573963491.db2.gz VTKVSGCHPBPJKR-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCNC[C@H](CC)[N@H+]1CC[C@H](CC)C1 127789036 573963497 /nfs/dbraw/zinc/96/34/97/573963497.db2.gz VTKVSGCHPBPJKR-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](N)CC[N@H+](C)[C@@H](C)C(C)C 127790100 573963584 /nfs/dbraw/zinc/96/35/84/573963584.db2.gz CXLYLWGXAMWIRZ-QWRGUYRKSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@H](N)CC[N@@H+](C)[C@@H](C)C(C)C 127790100 573963592 /nfs/dbraw/zinc/96/35/92/573963592.db2.gz CXLYLWGXAMWIRZ-QWRGUYRKSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@@H](N)CC[N@@H+]1CCC[C@@H](CC)C1 127792017 573963759 /nfs/dbraw/zinc/96/37/59/573963759.db2.gz MSVWTTBYWUMOGZ-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](N)CC[N@H+]1CCC[C@@H](CC)C1 127792017 573963763 /nfs/dbraw/zinc/96/37/63/573963763.db2.gz MSVWTTBYWUMOGZ-VXGBXAGGSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](N)CC[N@H+](C)CC1CCCC1 127895850 573963851 /nfs/dbraw/zinc/96/38/51/573963851.db2.gz LNCWUCIUYOABJE-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H](N)CC[N@@H+](C)CC1CCCC1 127895850 573963857 /nfs/dbraw/zinc/96/38/57/573963857.db2.gz LNCWUCIUYOABJE-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@@H]([NH3+])CCN(C)CC1CCCC1 127895850 573963863 /nfs/dbraw/zinc/96/38/63/573963863.db2.gz LNCWUCIUYOABJE-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](N)CC[NH2+]CC1(C)CCCC1 127899015 573966262 /nfs/dbraw/zinc/96/62/62/573966262.db2.gz XEEVKLUVVSUNJE-NSHDSACASA-N 1 3 198.354 2.284 10 0 AEAEHO CCC[C@@H]1CC[N@@H+]([C@@H](CC)CNC)C1 127790726 573965650 /nfs/dbraw/zinc/96/56/50/573965650.db2.gz SPKQMGQLYZNXCX-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCC[C@@H]1CC[N@H+]([C@@H](CC)CNC)C1 127790726 573965653 /nfs/dbraw/zinc/96/56/53/573965653.db2.gz SPKQMGQLYZNXCX-NEPJUHHUSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCCN(CCC(N)=[NH2+])C(C)C 42529667 573965866 /nfs/dbraw/zinc/96/58/66/573965866.db2.gz YLNGMFAKHDUHPY-UHFFFAOYSA-N 1 3 199.342 2.213 10 0 AEAEHO CCC(CC)CN(CC)CCC(N)=[NH2+] 42487827 573966055 /nfs/dbraw/zinc/96/60/55/573966055.db2.gz XPHSECSAHVRKIH-UHFFFAOYSA-N 1 3 199.342 2.071 10 0 AEAEHO CC[C@H](C)[N@H+]1CC[C@H](NC)CC1(C)C 259254985 573977027 /nfs/dbraw/zinc/97/70/27/573977027.db2.gz FHPWAXJADZOUJJ-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H](C)[N@@H+]1CC[C@H](NC)CC1(C)C 259254980 573976396 /nfs/dbraw/zinc/97/63/96/573976396.db2.gz FHPWAXJADZOUJJ-MNOVXSKESA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@@H](C)[N@H+]1CC[C@H](NC)CC1(C)C 259254980 573976401 /nfs/dbraw/zinc/97/64/01/573976401.db2.gz FHPWAXJADZOUJJ-MNOVXSKESA-N 1 3 198.354 2.247 10 0 AEAEHO CCC[N@H+](CC[C@H](N)CC)CC1CC1 127825191 573976587 /nfs/dbraw/zinc/97/65/87/573976587.db2.gz PMVXGMVCDVCGSB-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+](CC[C@H](N)CC)CC1CC1 127825191 573976591 /nfs/dbraw/zinc/97/65/91/573976591.db2.gz PMVXGMVCDVCGSB-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)C[C@H](C)[N@H+](C)[C@@H](C)CCN 42562830 573976630 /nfs/dbraw/zinc/97/66/30/573976630.db2.gz SFVJDJLIZHMQRC-QWRGUYRKSA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)C[C@H](C)[N@@H+](C)[C@@H](C)CCN 42562830 573976635 /nfs/dbraw/zinc/97/66/35/573976635.db2.gz SFVJDJLIZHMQRC-QWRGUYRKSA-N 1 3 186.343 2.090 10 0 AEAEHO CCC[N@H+](CC[C@@H](N)CC)CC1CC1 127825387 573976748 /nfs/dbraw/zinc/97/67/48/573976748.db2.gz PMVXGMVCDVCGSB-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC[N@@H+](CC[C@@H](N)CC)CC1CC1 127825387 573976752 /nfs/dbraw/zinc/97/67/52/573976752.db2.gz PMVXGMVCDVCGSB-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CC[C@H](C)[N@@H+]1CC[C@H](NC)CC1(C)C 259254985 573977015 /nfs/dbraw/zinc/97/70/15/573977015.db2.gz FHPWAXJADZOUJJ-QWRGUYRKSA-N 1 3 198.354 2.247 10 0 AEAEHO CCCCC[C@H](C)N1CCC([NH3+])CC1 42571351 573984051 /nfs/dbraw/zinc/98/40/51/573984051.db2.gz LDZLOMLFHVGVJN-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CCCCC[C@H](C)[NH+]1CCC(N)CC1 42571351 573984054 /nfs/dbraw/zinc/98/40/54/573984054.db2.gz LDZLOMLFHVGVJN-NSHDSACASA-N 1 3 198.354 2.378 10 0 AEAEHO CC(C)C[N@H+](CC[C@@H](C)N)C(C)C 42581486 573984836 /nfs/dbraw/zinc/98/48/36/573984836.db2.gz KGXZCRSLTVIAGR-LLVKDONJSA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)C[N@@H+](CC[C@@H](C)N)C(C)C 42581486 573984840 /nfs/dbraw/zinc/98/48/40/573984840.db2.gz KGXZCRSLTVIAGR-LLVKDONJSA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)C[N@H+](C(C)C)[C@H](C)CCN 42563130 573985077 /nfs/dbraw/zinc/98/50/77/573985077.db2.gz KEORSSMOMOVXNR-LLVKDONJSA-N 1 3 186.343 2.090 10 0 AEAEHO CC(C)C[N@@H+](C(C)C)[C@H](C)CCN 42563130 573985082 /nfs/dbraw/zinc/98/50/82/573985082.db2.gz KEORSSMOMOVXNR-LLVKDONJSA-N 1 3 186.343 2.090 10 0 AEAEHO CC[C@H](CCN)[N@H+](CC1CC1)C(C)C 42563232 573985559 /nfs/dbraw/zinc/98/55/59/573985559.db2.gz DYFUXSGMFKOQKY-GFCCVEGCSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@H](CCN)[N@@H+](CC1CC1)C(C)C 42563232 573985561 /nfs/dbraw/zinc/98/55/61/573985561.db2.gz DYFUXSGMFKOQKY-GFCCVEGCSA-N 1 3 198.354 2.234 10 0 AEAEHO CC[C@@H]1CCCC[C@H]1[NH2+]C1CC(N)C1 87651474 573995940 /nfs/dbraw/zinc/99/59/40/573995940.db2.gz IJJDLFIPYXJTSX-HBIQZDMRSA-N 1 3 196.338 2.035 10 0 AEAEHO CC[C@@H]1CCC[C@@H]([NH2+]C2CC(N)C2)C1 87652037 573995500 /nfs/dbraw/zinc/99/55/00/573995500.db2.gz OTTGANFGLPTERS-QTAHKJALSA-N 1 3 196.338 2.035 10 0 AEAEHO CC[C@H](N)CC[N@H+](C)C(C)(C)CC 127901918 573995561 /nfs/dbraw/zinc/99/55/61/573995561.db2.gz KDCSXGMAFDKEDJ-JTQLQIEISA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@H](N)CC[N@@H+](C)C(C)(C)CC 127901918 573995564 /nfs/dbraw/zinc/99/55/64/573995564.db2.gz KDCSXGMAFDKEDJ-JTQLQIEISA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@@H]1CCC[C@H]([NH2+]C2CC(N)C2)C1 87652035 573995565 /nfs/dbraw/zinc/99/55/65/573995565.db2.gz OTTGANFGLPTERS-ZYGVAYEYSA-N 1 3 196.338 2.035 10 0 AEAEHO C[C@@H]1CCCCC[C@H]1[NH2+]C1CC(N)C1 87652091 573995588 /nfs/dbraw/zinc/99/55/88/573995588.db2.gz OKXVGKMYUAGAKQ-HBIQZDMRSA-N 1 3 196.338 2.035 10 0 AEAEHO CC[C@@H](N)CC[N@H+](C)C(C)(C)CC 127902121 573995737 /nfs/dbraw/zinc/99/57/37/573995737.db2.gz KDCSXGMAFDKEDJ-SNVBAGLBSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@@H](N)CC[N@@H+](C)C(C)(C)CC 127902121 573995741 /nfs/dbraw/zinc/99/57/41/573995741.db2.gz KDCSXGMAFDKEDJ-SNVBAGLBSA-N 1 3 186.343 2.234 10 0 AEAEHO CC[C@H]1CCCC[C@H]1[NH2+]C1CC(N)C1 87651475 573995862 /nfs/dbraw/zinc/99/58/62/573995862.db2.gz IJJDLFIPYXJTSX-WNYYMSAVSA-N 1 3 196.338 2.035 10 0 AEAEHO CNCC[C@H](CC(C)C)[NH+]1CCCC1 82291903 574001669 /nfs/dbraw/zinc/00/16/69/574001669.db2.gz LWELNCQEPNMTDX-GFCCVEGCSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H]1CCCCC[N@@H+]1[C@@H](C)CCN 128035427 574005833 /nfs/dbraw/zinc/00/58/33/574005833.db2.gz FBYUXGFOZUYOQA-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CC[C@H]1CCCCC[N@H+]1[C@@H](C)CCN 128035427 574005839 /nfs/dbraw/zinc/00/58/39/574005839.db2.gz FBYUXGFOZUYOQA-RYUDHWBXSA-N 1 3 198.354 2.378 10 0 AEAEHO CCCC[C@@H](C[NH3+])Nc1ccncc1 87780199 574032876 /nfs/dbraw/zinc/03/28/76/574032876.db2.gz PZADYHRRUOKQSW-NSHDSACASA-N 1 3 193.294 2.011 10 0 AEAEHO CCC[NH2+][C@@H]1CCN(CCC)[C@@H](C)C1 219778830 520021753 /nfs/dbraw/zinc/02/17/53/520021753.db2.gz PDMBCAOQYYZVQY-NWDGAFQWSA-N 1 3 198.354 2.249 10 0 AEAEHO CCC[NH2+][C@H]1CCN(CCC)[C@@H](C)C1 219778906 520093859 /nfs/dbraw/zinc/09/38/59/520093859.db2.gz PDMBCAOQYYZVQY-RYUDHWBXSA-N 1 3 198.354 2.249 10 0 AEAEHO CC[NH2+][C@@H]1CCN(CC(C)C)[C@@H](C)C1 219777008 520118223 /nfs/dbraw/zinc/11/82/23/520118223.db2.gz SFYVFPUATLJETK-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 219777008 520118229 /nfs/dbraw/zinc/11/82/29/520118229.db2.gz SFYVFPUATLJETK-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@@H]1CC[N@@H+](CC(C)C)[C@@H](C)C1 219777008 520118234 /nfs/dbraw/zinc/11/82/34/520118234.db2.gz SFYVFPUATLJETK-NWDGAFQWSA-N 1 3 198.354 2.105 10 0 AEAEHO CC[NH2+][C@H]1CCN(CC(C)C)[C@@H](C)C1 219777080 520215375 /nfs/dbraw/zinc/21/53/75/520215375.db2.gz SFYVFPUATLJETK-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 219777080 520215383 /nfs/dbraw/zinc/21/53/83/520215383.db2.gz SFYVFPUATLJETK-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CCN[C@H]1CC[N@@H+](CC(C)C)[C@@H](C)C1 219777080 520215391 /nfs/dbraw/zinc/21/53/91/520215391.db2.gz SFYVFPUATLJETK-RYUDHWBXSA-N 1 3 198.354 2.105 10 0 AEAEHO CCCCN1CC[C@H]([NH2+]CC)[C@@H](C)C1 219749722 520596717 /nfs/dbraw/zinc/59/67/17/520596717.db2.gz NUOHWQTVIBGGOY-RYUDHWBXSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCN1CC[C@@H]([NH2+]CC)[C@@H](C)C1 219749645 520596817 /nfs/dbraw/zinc/59/68/17/520596817.db2.gz NUOHWQTVIBGGOY-NWDGAFQWSA-N 1 3 198.354 2.106 10 0 AEAEHO CCCCC[C@H](C)NC[C@@H](C)[NH2+]C 54077124 630035329 /nfs/dbraw/zinc/03/53/29/630035329.db2.gz AIXIRBCNTUOGIG-WDEREUQCSA-N 1 3 186.343 2.153 10 0 AEAEHO CC(C)CCN(C)CCC[NH2+]C1CC1 42457710 630748482 /nfs/dbraw/zinc/74/84/82/630748482.db2.gz LDZLBOQXVNAKRK-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)CC[N@H+](C)CCCNC1CC1 42457710 630748485 /nfs/dbraw/zinc/74/84/85/630748485.db2.gz LDZLBOQXVNAKRK-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CC(C)CC[N@@H+](C)CCCNC1CC1 42457710 630748490 /nfs/dbraw/zinc/74/84/90/630748490.db2.gz LDZLBOQXVNAKRK-UHFFFAOYSA-N 1 3 198.354 2.106 10 0 AEAEHO CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 224435741 630845512 /nfs/dbraw/zinc/84/55/12/630845512.db2.gz FNSBBYQPFWCRPB-QJPTWQEYSA-N 1 3 198.354 2.247 10 0 AEAEHO CC[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 224435816 630845559 /nfs/dbraw/zinc/84/55/59/630845559.db2.gz FNSBBYQPFWCRPB-SDDRHHMPSA-N 1 3 198.354 2.247 10 0 AEAEHO CC(C)[N@H+](CCCNC1CC1)C1CC1 923306966 630894688 /nfs/dbraw/zinc/89/46/88/630894688.db2.gz ORWBDUMRJUBRPN-UHFFFAOYSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)[N@@H+](CCCNC1CC1)C1CC1 923306966 630894691 /nfs/dbraw/zinc/89/46/91/630894691.db2.gz ORWBDUMRJUBRPN-UHFFFAOYSA-N 1 3 196.338 2.001 10 0 AEAEHO CC(C)N(CCC[NH2+]C1CC1)C1CC1 923306966 630894695 /nfs/dbraw/zinc/89/46/95/630894695.db2.gz ORWBDUMRJUBRPN-UHFFFAOYSA-N 1 3 196.338 2.001 10 0 AEAEHO CC[C@H](C)[N@@H+]1CC[C@@]2(CCCCN2)C1 923534801 630900290 /nfs/dbraw/zinc/90/02/90/630900290.db2.gz XTMDJNAWDXBHKG-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H](C)[N@H+]1CC[C@@]2(CCCCN2)C1 923534801 630900297 /nfs/dbraw/zinc/90/02/97/630900297.db2.gz XTMDJNAWDXBHKG-RYUDHWBXSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H](C)[N@@H+]1CC[C@@]2(CCCCN2)C1 923534798 630900600 /nfs/dbraw/zinc/90/06/00/630900600.db2.gz XTMDJNAWDXBHKG-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H](C)[N@H+]1CC[C@@]2(CCCCN2)C1 923534798 630900603 /nfs/dbraw/zinc/90/06/03/630900603.db2.gz XTMDJNAWDXBHKG-NEPJUHHUSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H](C)[N@@H+]1CC[C@]2(CCCCN2)C1 923534803 630901168 /nfs/dbraw/zinc/90/11/68/630901168.db2.gz XTMDJNAWDXBHKG-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@@H](C)[N@H+]1CC[C@]2(CCCCN2)C1 923534803 630901169 /nfs/dbraw/zinc/90/11/69/630901169.db2.gz XTMDJNAWDXBHKG-VXGBXAGGSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H](C)[N@@H+]1CC[C@]2(CCCCN2)C1 923534800 630901898 /nfs/dbraw/zinc/90/18/98/630901898.db2.gz XTMDJNAWDXBHKG-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CC[C@H](C)[N@H+]1CC[C@]2(CCCCN2)C1 923534800 630901908 /nfs/dbraw/zinc/90/19/08/630901908.db2.gz XTMDJNAWDXBHKG-NWDGAFQWSA-N 1 3 196.338 2.003 10 0 AEAEHO CCC[C@H](C)C[N@@H+]1CCC[C@@H](CN)C1 223496431 631027045 /nfs/dbraw/zinc/02/70/45/631027045.db2.gz LRMYBCKQVNZNPP-RYUDHWBXSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@H](C)C[N@H+]1CCC[C@@H](CN)C1 223496431 631027051 /nfs/dbraw/zinc/02/70/51/631027051.db2.gz LRMYBCKQVNZNPP-RYUDHWBXSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@@H](C)C[N@@H+]1CCC[C@@H](CN)C1 223496369 631027877 /nfs/dbraw/zinc/02/78/77/631027877.db2.gz LRMYBCKQVNZNPP-NEPJUHHUSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC[C@@H](C)C[N@H+]1CCC[C@@H](CN)C1 223496369 631027883 /nfs/dbraw/zinc/02/78/83/631027883.db2.gz LRMYBCKQVNZNPP-NEPJUHHUSA-N 1 3 198.354 2.093 10 0 AEAEHO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CNC[C@H]1C 925785494 631051869 /nfs/dbraw/zinc/05/18/69/631051869.db2.gz PLDAWBKOSJBRSS-GMTAPVOTSA-N 1 3 198.354 2.009 10 0 AEAEHO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CNC[C@H]1C 925787129 631052361 /nfs/dbraw/zinc/05/23/61/631052361.db2.gz XGOZMLWIKPGTNA-GMTAPVOTSA-N 1 3 198.354 2.009 10 0 AEAEHO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CNC[C@H]1C 925787130 631052608 /nfs/dbraw/zinc/05/26/08/631052608.db2.gz XGOZMLWIKPGTNA-OUAUKWLOSA-N 1 3 198.354 2.009 10 0 AEAEHO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CNC[C@H]1C 925785497 631052883 /nfs/dbraw/zinc/05/28/83/631052883.db2.gz PLDAWBKOSJBRSS-OUAUKWLOSA-N 1 3 198.354 2.009 10 0 AEAEHO CC[C@@H](C)N1CCC(C)([NH+](C)C)CC1 931355896 631122230 /nfs/dbraw/zinc/12/22/30/631122230.db2.gz XBMMZOBNHJHBSA-LLVKDONJSA-N 1 3 198.354 2.201 10 0 AEAEHO CC[C@@H](C)[NH+]1CCC(C)(N(C)C)CC1 931355896 631122232 /nfs/dbraw/zinc/12/22/32/631122232.db2.gz XBMMZOBNHJHBSA-LLVKDONJSA-N 1 3 198.354 2.201 10 0 AEAEHO CC[C@H](C)N1CCC(C)([NH+](C)C)CC1 931355897 631122953 /nfs/dbraw/zinc/12/29/53/631122953.db2.gz XBMMZOBNHJHBSA-NSHDSACASA-N 1 3 198.354 2.201 10 0 AEAEHO CC[C@H](C)[NH+]1CCC(C)(N(C)C)CC1 931355897 631122956 /nfs/dbraw/zinc/12/29/56/631122956.db2.gz XBMMZOBNHJHBSA-NSHDSACASA-N 1 3 198.354 2.201 10 0 AEAEHO CC(C)CN1CCC(C)([NH+](C)C)CC1 931349886 631123099 /nfs/dbraw/zinc/12/30/99/631123099.db2.gz OXLDSAZXQIKFOH-UHFFFAOYSA-N 1 3 198.354 2.059 10 0 AEAEHO CC(C)C[NH+]1CCC(C)(N(C)C)CC1 931349886 631123102 /nfs/dbraw/zinc/12/31/02/631123102.db2.gz OXLDSAZXQIKFOH-UHFFFAOYSA-N 1 3 198.354 2.059 10 0 AEAEHO CCCC[NH+]1CCC(C)(N(C)C)CC1 931350788 631123117 /nfs/dbraw/zinc/12/31/17/631123117.db2.gz YFJMTQAMRCBBFJ-UHFFFAOYSA-N 1 3 198.354 2.203 10 0 AEAEHO CC(C)(C)C[N@@H+]1CCCC[C@@H](CN)C1 306315255 1224253624 /nfs/dbraw/zinc/25/36/24/1224253624.db2.gz AJDGONFSXWQTKY-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)(C)C[N@H+]1CCCC[C@@H](CN)C1 306315255 1224253628 /nfs/dbraw/zinc/25/36/28/1224253628.db2.gz AJDGONFSXWQTKY-NSHDSACASA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)(C)C[N@H+]1CCCC[C@H](CN)C1 306315249 1224254020 /nfs/dbraw/zinc/25/40/20/1224254020.db2.gz AJDGONFSXWQTKY-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CC(C)(C)C[N@@H+]1CCCC[C@H](CN)C1 306315249 1224254012 /nfs/dbraw/zinc/25/40/12/1224254012.db2.gz AJDGONFSXWQTKY-LLVKDONJSA-N 1 3 198.354 2.093 10 0 AEAEHO CCCC[C@H](C)[N@H+](C)C[C@H](C)CN 308210237 1224296186 /nfs/dbraw/zinc/29/61/86/1224296186.db2.gz WAFQVSHNICKZMR-MNOVXSKESA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[C@H](C)[N@@H+](C)C[C@H](C)CN 308210237 1224296192 /nfs/dbraw/zinc/29/61/92/1224296192.db2.gz WAFQVSHNICKZMR-MNOVXSKESA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[C@@H](C)[N@H+](C)C[C@H](C)CN 308210236 1224296760 /nfs/dbraw/zinc/29/67/60/1224296760.db2.gz WAFQVSHNICKZMR-GHMZBOCLSA-N 1 3 186.343 2.092 10 0 AEAEHO CCCC[C@@H](C)[N@@H+](C)C[C@H](C)CN 308210236 1224296770 /nfs/dbraw/zinc/29/67/70/1224296770.db2.gz WAFQVSHNICKZMR-GHMZBOCLSA-N 1 3 186.343 2.092 10 0 AEAEHO CCC(CC)C[N@@H+]1CCC[C@@H](N)CC1 393222580 1224332463 /nfs/dbraw/zinc/33/24/63/1224332463.db2.gz VPCCCBUCXIKUCN-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)C[N@H+]1CCC[C@@H](N)CC1 393222580 1224332470 /nfs/dbraw/zinc/33/24/70/1224332470.db2.gz VPCCCBUCXIKUCN-GFCCVEGCSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)C[N@@H+]1CCC[C@H](N)CC1 393222583 1224332895 /nfs/dbraw/zinc/33/28/95/1224332895.db2.gz VPCCCBUCXIKUCN-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CCC(CC)C[N@H+]1CCC[C@H](N)CC1 393222583 1224332904 /nfs/dbraw/zinc/33/29/04/1224332904.db2.gz VPCCCBUCXIKUCN-LBPRGKRZSA-N 1 3 198.354 2.236 10 0 AEAEHO CC(C)[NH+](CCCNC1CC1)C(C)C 675056717 538449612 /nfs/dbraw/zinc/44/96/12/538449612.db2.gz WAJVXVBIVWUXCG-UHFFFAOYSA-N 1 3 198.354 2.247 10 0 AEAEHO