smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+]CC(=O)N(C)[C@H](C[NH3+])C1CC1 843499249 582472297 /nfs/dbraw/zinc/47/22/97/582472297.db2.gz XVLUVPZIHCLPSA-SECBINFHSA-N 2 0 199.298 -0.208 20 0 ABADRP CC[NH2+]CC(=O)N(C)[C@@H](C[NH3+])C1CC1 843499254 582472341 /nfs/dbraw/zinc/47/23/41/582472341.db2.gz XVLUVPZIHCLPSA-VIFPVBQESA-N 2 0 199.298 -0.208 20 0 ABADRP [NH3+]CCCC(=O)N[C@@H](C[NH3+])C1CC1 389298974 582477003 /nfs/dbraw/zinc/47/70/03/582477003.db2.gz LGWHFZAGUAUUPK-QMMMGPOBSA-N 2 0 185.271 -0.421 20 0 ABADRP [NH3+]CCCC(=O)N[C@H](C[NH3+])C1CC1 389298972 582477025 /nfs/dbraw/zinc/47/70/25/582477025.db2.gz LGWHFZAGUAUUPK-MRVPVSSYSA-N 2 0 185.271 -0.421 20 0 ABADRP CC[NH2+]CC(=O)N[C@@H](C)C[NH3+] 146058187 582488819 /nfs/dbraw/zinc/48/88/19/582488819.db2.gz NGMSDAUZOHZQPH-LURJTMIESA-N 2 0 159.233 -0.941 20 0 ABADRP NC(=O)CN(CC[NH3+])C1CCCC1 42428506 582501871 /nfs/dbraw/zinc/50/18/71/582501871.db2.gz MQCOSXKJLZNPIZ-UHFFFAOYSA-N 2 0 185.271 -0.325 20 0 ABADRP [NH3+]CCc1nc2n(n1)[C@@H](C[NH3+])CCN2 236269676 582507917 /nfs/dbraw/zinc/50/79/17/582507917.db2.gz SMYYRGHKEDKQBZ-ZCFIWIBFSA-N 2 0 196.258 -0.905 20 0 ABADRP C[C@@H]([NH3+])C1CC[NH+](CC(N)=O)CC1 82475021 582512776 /nfs/dbraw/zinc/51/27/76/582512776.db2.gz LJNOFHORNDPMOO-SSDOTTSWSA-N 2 0 185.271 -0.469 20 0 ABADRP C[C@H]([NH3+])C1CC[NH+](CC(N)=O)CC1 82475020 582512782 /nfs/dbraw/zinc/51/27/82/582512782.db2.gz LJNOFHORNDPMOO-ZETCQYMHSA-N 2 0 185.271 -0.469 20 0 ABADRP [NH3+]C1(CN[C@H]2C[NH2+]CCOC2)CC1 902409742 582599892 /nfs/dbraw/zinc/59/98/92/582599892.db2.gz OCPWHKYGZYVGAM-QMMMGPOBSA-N 2 0 185.271 -0.944 20 0 ABADRP [NH3+]C1(CN[C@@H]2C[NH2+]CCOC2)CC1 902409741 582600506 /nfs/dbraw/zinc/60/05/06/582600506.db2.gz OCPWHKYGZYVGAM-MRVPVSSYSA-N 2 0 185.271 -0.944 20 0 ABADRP NOCCC[NH2+][C@H]1CCC[NH2+]CC1 902417358 582603188 /nfs/dbraw/zinc/60/31/88/582603188.db2.gz YINMDFOIRACHKP-VIFPVBQESA-N 2 0 187.287 -0.002 20 0 ABADRP NOCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] 902415704 582603417 /nfs/dbraw/zinc/60/34/17/582603417.db2.gz PNXVFHILLLRYCX-BDAKNGLRSA-N 2 0 187.287 -0.016 20 0 ABADRP NOCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] 902415706 582603583 /nfs/dbraw/zinc/60/35/83/582603583.db2.gz PNXVFHILLLRYCX-IUCAKERBSA-N 2 0 187.287 -0.016 20 0 ABADRP NOCCC[NH2+][C@@H]1CCC[NH2+]CC1 902417353 582603776 /nfs/dbraw/zinc/60/37/76/582603776.db2.gz YINMDFOIRACHKP-SECBINFHSA-N 2 0 187.287 -0.002 20 0 ABADRP NOCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] 902415705 582603778 /nfs/dbraw/zinc/60/37/78/582603778.db2.gz PNXVFHILLLRYCX-DTWKUNHWSA-N 2 0 187.287 -0.016 20 0 ABADRP NOCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 902415707 582603795 /nfs/dbraw/zinc/60/37/95/582603795.db2.gz PNXVFHILLLRYCX-RKDXNWHRSA-N 2 0 187.287 -0.016 20 0 ABADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCON 902415071 582604971 /nfs/dbraw/zinc/60/49/71/582604971.db2.gz KOJWLWDFDIMNBF-QMMMGPOBSA-N 2 0 187.287 -0.003 20 0 ABADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCON 902415070 582605191 /nfs/dbraw/zinc/60/51/91/582605191.db2.gz KOJWLWDFDIMNBF-MRVPVSSYSA-N 2 0 187.287 -0.003 20 0 ABADRP C[C@@H]([NH2+]CCCON)[C@H]1CCC[NH2+]1 902415192 582606048 /nfs/dbraw/zinc/60/60/48/582606048.db2.gz LAQSTLLXBOEOBU-RKDXNWHRSA-N 2 0 187.287 -0.003 20 0 ABADRP C[C@@H]([NH2+]CCCON)[C@@H]1CCC[NH2+]1 902415189 582606329 /nfs/dbraw/zinc/60/63/29/582606329.db2.gz LAQSTLLXBOEOBU-BDAKNGLRSA-N 2 0 187.287 -0.003 20 0 ABADRP C[C@H]([NH2+]CCCON)[C@H]1CCC[NH2+]1 902415190 582606360 /nfs/dbraw/zinc/60/63/60/582606360.db2.gz LAQSTLLXBOEOBU-DTWKUNHWSA-N 2 0 187.287 -0.003 20 0 ABADRP C[C@H]([NH2+]CCCON)[C@@H]1CCC[NH2+]1 902415191 582606436 /nfs/dbraw/zinc/60/64/36/582606436.db2.gz LAQSTLLXBOEOBU-IUCAKERBSA-N 2 0 187.287 -0.003 20 0 ABADRP COC[C@@H](O)C[NH2+][C@@H](C)C[C@H](C)[NH3+] 902514526 582608864 /nfs/dbraw/zinc/60/88/64/582608864.db2.gz PATAFGJCVRDCHP-CIUDSAMLSA-N 2 0 190.287 -0.291 20 0 ABADRP COC[C@@H](O)C[NH2+][C@H](C)C[C@H](C)[NH3+] 902514529 582608944 /nfs/dbraw/zinc/60/89/44/582608944.db2.gz PATAFGJCVRDCHP-YIZRAAEISA-N 2 0 190.287 -0.291 20 0 ABADRP COC[C@@H](O)C[NH2+][C@H](C)C[C@@H](C)[NH3+] 902514527 582609296 /nfs/dbraw/zinc/60/92/96/582609296.db2.gz PATAFGJCVRDCHP-HLTSFMKQSA-N 2 0 190.287 -0.291 20 0 ABADRP COC[C@@H](O)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] 902514528 582609635 /nfs/dbraw/zinc/60/96/35/582609635.db2.gz PATAFGJCVRDCHP-VGMNWLOBSA-N 2 0 190.287 -0.291 20 0 ABADRP [NH3+][C@@H]1CCN(C[C@H]2CCC[NH2+]2)C1 903422322 582624420 /nfs/dbraw/zinc/62/44/20/582624420.db2.gz YFAICUJNPGQBKW-RKDXNWHRSA-N 2 0 169.272 -0.229 20 0 ABADRP [NH3+][C@H]1CCN(C[C@H]2CCC[NH2+]2)C1 903423596 582624421 /nfs/dbraw/zinc/62/44/21/582624421.db2.gz YFAICUJNPGQBKW-DTWKUNHWSA-N 2 0 169.272 -0.229 20 0 ABADRP [NH3+]C[C@@H]1CN(C[C@H]2CCC[NH2+]2)CCO1 903449040 582624509 /nfs/dbraw/zinc/62/45/09/582624509.db2.gz NWNVZVZQDPAONS-NXEZZACHSA-N 2 0 199.298 -0.602 20 0 ABADRP C1C[NH2+][C@@H](CN2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 903449881 582624772 /nfs/dbraw/zinc/62/47/72/582624772.db2.gz KUMJQIGEVFUHIK-OUAUKWLOSA-N 2 0 195.310 -0.110 20 0 ABADRP CN(CC[NH3+])C[C@H]1CCC[NH2+]1 903458952 582624777 /nfs/dbraw/zinc/62/47/77/582624777.db2.gz NWENLHZLGVPRQE-MRVPVSSYSA-N 2 0 157.261 -0.371 20 0 ABADRP [NH3+]CCN(CCO)CCOC1CC1 903448868 582624840 /nfs/dbraw/zinc/62/48/40/582624840.db2.gz MABFKSOYRWPOHE-UHFFFAOYSA-N 2 0 188.271 -0.582 20 0 ABADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1CO 903453987 582624875 /nfs/dbraw/zinc/62/48/75/582624875.db2.gz QSZPWHIHUWGHCJ-VIFPVBQESA-N 2 0 188.271 -0.582 20 0 ABADRP C1C[NH2+][C@@H](CN2C[C@@H]3C[C@H]2C[NH2+]3)C1 903477085 582625115 /nfs/dbraw/zinc/62/51/15/582625115.db2.gz SVBLSCRAOBROLM-UTLUCORTSA-N 2 0 181.283 -0.216 20 0 ABADRP C[NH2+]CCN(C)C[C@H]1CCC[NH2+]1 903454361 582625273 /nfs/dbraw/zinc/62/52/73/582625273.db2.gz YXDYXPWKRARWMZ-SECBINFHSA-N 2 0 171.288 -0.110 20 0 ABADRP [NH3+][C@@H](CC(F)F)CN1CC[NH2+]CC1 903874261 582629936 /nfs/dbraw/zinc/62/99/36/582629936.db2.gz WIPIVPOSJIPOAK-ZETCQYMHSA-N 2 0 193.241 -0.126 20 0 ABADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1CO 903491009 582625801 /nfs/dbraw/zinc/62/58/01/582625801.db2.gz QSZPWHIHUWGHCJ-SECBINFHSA-N 2 0 188.271 -0.582 20 0 ABADRP [NH3+][C@H](CC(F)F)CN1CC[NH2+]CC1 903874260 582628244 /nfs/dbraw/zinc/62/82/44/582628244.db2.gz WIPIVPOSJIPOAK-SSDOTTSWSA-N 2 0 193.241 -0.126 20 0 ABADRP CN(C[C@@H]([NH3+])CC(F)F)C1C[NH2+]C1 903918109 582629720 /nfs/dbraw/zinc/62/97/20/582629720.db2.gz SFBDRYNVFMIZHH-LURJTMIESA-N 2 0 193.241 -0.128 20 0 ABADRP CN(CC[NH3+])C[C@H]([NH3+])CC(F)F 903930096 582629804 /nfs/dbraw/zinc/62/98/04/582629804.db2.gz SCCKJMWBNMTOOF-ZCFIWIBFSA-N 2 0 181.230 -0.141 20 0 ABADRP CN(C[C@H]([NH3+])CC(F)F)C1C[NH2+]C1 903918110 582629829 /nfs/dbraw/zinc/62/98/29/582629829.db2.gz SFBDRYNVFMIZHH-ZCFIWIBFSA-N 2 0 193.241 -0.128 20 0 ABADRP CN(CC[NH3+])C[C@@H]([NH3+])CC(F)F 903930095 582629961 /nfs/dbraw/zinc/62/99/61/582629961.db2.gz SCCKJMWBNMTOOF-LURJTMIESA-N 2 0 181.230 -0.141 20 0 ABADRP CC[NH2+]CCNC1CC(C[NH3+])C1 904354408 582635544 /nfs/dbraw/zinc/63/55/44/582635544.db2.gz XLUOLJYKHHDZKK-UHFFFAOYSA-N 2 0 171.288 -0.077 20 0 ABADRP C[NH2+]CCC[NH2+]C1CC(C[NH3+])C1 904353849 582636378 /nfs/dbraw/zinc/63/63/78/582636378.db2.gz SUMXMXNVJJILLK-UHFFFAOYSA-N 3 0 171.288 -0.077 20 0 ABADRP C[C@H]([NH2+]C1CC(C[NH3+])C1)C(=O)N(C)C 904367638 582636439 /nfs/dbraw/zinc/63/64/39/582636439.db2.gz BDXWFTBTNFWWDV-UEJVZZJDSA-N 2 0 199.298 -0.210 20 0 ABADRP C[NH2+]C[C@@H](C)NC1CC(C[NH3+])C1 904378547 582636678 /nfs/dbraw/zinc/63/66/78/582636678.db2.gz FODPFILBCAZZPQ-AFPNSQJFSA-N 2 0 171.288 -0.079 20 0 ABADRP C[NH2+]C[C@H](C)NC1CC(C[NH3+])C1 904378548 582637191 /nfs/dbraw/zinc/63/71/91/582637191.db2.gz FODPFILBCAZZPQ-UEJVZZJDSA-N 2 0 171.288 -0.079 20 0 ABADRP C[C@@H]1CN(C[C@@]23C[NH2+]C[C@@H]2C3)C[C@H]1[NH3+] 904416757 582637237 /nfs/dbraw/zinc/63/72/37/582637237.db2.gz QYCRIRDPXXBXNU-LMLFDSFASA-N 2 0 195.310 -0.125 20 0 ABADRP [NH3+]C1(CN[C@H]2CCC[NH2+]C2)CC1 904444320 582638544 /nfs/dbraw/zinc/63/85/44/582638544.db2.gz QCCUEHKHHBITLY-QMMMGPOBSA-N 2 0 169.272 -0.181 20 0 ABADRP [NH3+]C1(CN[C@@H]2CCC[NH2+]C2)CC1 904444319 582638687 /nfs/dbraw/zinc/63/86/87/582638687.db2.gz QCCUEHKHHBITLY-MRVPVSSYSA-N 2 0 169.272 -0.181 20 0 ABADRP NOCCC[NH2+]C[C@]12C[NH2+]C[C@H]1C2 904457453 582639070 /nfs/dbraw/zinc/63/90/70/582639070.db2.gz PLMMUZRKJLGXEA-RKDXNWHRSA-N 2 0 185.271 -0.534 20 0 ABADRP NOCCC[NH2+]C[C@@]12C[NH2+]C[C@@H]1C2 904457452 582639209 /nfs/dbraw/zinc/63/92/09/582639209.db2.gz PLMMUZRKJLGXEA-IUCAKERBSA-N 2 0 185.271 -0.534 20 0 ABADRP NOCCC[NH2+]CC1CC[NH2+]CC1 904457860 582639257 /nfs/dbraw/zinc/63/92/57/582639257.db2.gz UITJXWSTKYQZJO-UHFFFAOYSA-N 2 0 187.287 -0.144 20 0 ABADRP C[NH+](C)CCN(C(=O)C[NH3+])C1CC1 906090344 582654355 /nfs/dbraw/zinc/65/43/55/582654355.db2.gz ITKYAFPEWARPKN-UHFFFAOYSA-N 2 0 185.271 -0.502 20 0 ABADRP CC(C)(C)[NH2+]CCNC(=O)C[NH3+] 906086100 582654458 /nfs/dbraw/zinc/65/44/58/582654458.db2.gz UKWWNGOYXPUPFF-UHFFFAOYSA-N 2 0 173.260 -0.551 20 0 ABADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C[NH3+] 906092555 582654637 /nfs/dbraw/zinc/65/46/37/582654637.db2.gz ROGOTPZEEGBGAX-MRVPVSSYSA-N 2 0 185.271 -0.454 20 0 ABADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C[NH3+] 906092556 582654714 /nfs/dbraw/zinc/65/47/14/582654714.db2.gz ROGOTPZEEGBGAX-QMMMGPOBSA-N 2 0 185.271 -0.454 20 0 ABADRP [NH3+][C@H]1C[C@H](N[C@H]2CC[NH2+]C2)C1 906518859 582655814 /nfs/dbraw/zinc/65/58/14/582655814.db2.gz SKWAXZAPLQHAJV-FXQIFTODSA-N 2 0 155.245 -0.572 20 0 ABADRP [NH3+][C@H]1C[C@H](NC[C@]23C[NH2+]C[C@H]2C3)C1 906518454 582655987 /nfs/dbraw/zinc/65/59/87/582655987.db2.gz NYVKIWCDZJVVKC-KYXWUPHJSA-N 2 0 181.283 -0.325 20 0 ABADRP [NH3+][C@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)C1 906517994 582656084 /nfs/dbraw/zinc/65/60/84/582656084.db2.gz MHWSZRRVMSDLRX-IWSPIJDZSA-N 2 0 169.272 -0.182 20 0 ABADRP [NH3+][C@H]1C[C@H](NC[C@@]23C[NH2+]C[C@@H]2C3)C1 906518453 582656121 /nfs/dbraw/zinc/65/61/21/582656121.db2.gz NYVKIWCDZJVVKC-AATLWQCWSA-N 2 0 181.283 -0.325 20 0 ABADRP [NH3+][C@H]1C[C@H](N[C@@H]2CC[NH2+]C2)C1 906518858 582656271 /nfs/dbraw/zinc/65/62/71/582656271.db2.gz SKWAXZAPLQHAJV-BWZBUEFSSA-N 2 0 155.245 -0.572 20 0 ABADRP [NH3+][C@H]1C[C@H](N[C@H]2CCC[NH2+]C2)C1 906517993 582656289 /nfs/dbraw/zinc/65/62/89/582656289.db2.gz MHWSZRRVMSDLRX-CIUDSAMLSA-N 2 0 169.272 -0.182 20 0 ABADRP CCN(CC[NH3+])C(=O)C[C@@H]([NH3+])C1CC1 877005666 582662959 /nfs/dbraw/zinc/66/29/59/582662959.db2.gz ABHWMWVXRFKIAA-SECBINFHSA-N 2 0 199.298 -0.079 20 0 ABADRP CCN(CC[NH3+])C(=O)C[C@H]([NH3+])C1CC1 877005687 582663393 /nfs/dbraw/zinc/66/33/93/582663393.db2.gz ABHWMWVXRFKIAA-VIFPVBQESA-N 2 0 199.298 -0.079 20 0 ABADRP C[NH2+]CCC(=O)N(C)C[C@H](C)[NH3+] 877103234 582663753 /nfs/dbraw/zinc/66/37/53/582663753.db2.gz RWBMKPQSCNPBGZ-ZETCQYMHSA-N 2 0 173.260 -0.599 20 0 ABADRP C[C@H]([NH3+])CN(C)C(=O)CC[NH2+]C1CC1 877106144 582663760 /nfs/dbraw/zinc/66/37/60/582663760.db2.gz VEFRMLFDBPBRQB-QMMMGPOBSA-N 2 0 199.298 -0.066 20 0 ABADRP C[C@@H]([NH3+])CN(C)C(=O)CC[NH2+]C1CC1 877106142 582663957 /nfs/dbraw/zinc/66/39/57/582663957.db2.gz VEFRMLFDBPBRQB-MRVPVSSYSA-N 2 0 199.298 -0.066 20 0 ABADRP C[NH2+]CCC(=O)N(C)C[C@@H](C)[NH3+] 877103232 582663961 /nfs/dbraw/zinc/66/39/61/582663961.db2.gz RWBMKPQSCNPBGZ-SSDOTTSWSA-N 2 0 173.260 -0.599 20 0 ABADRP C[C@H]([NH3+])CC(=O)N[C@H](C)CC[NH3+] 379369637 582677504 /nfs/dbraw/zinc/67/75/04/582677504.db2.gz DXQCDYLLFRHSGY-NKWVEPMBSA-N 2 0 173.260 -0.423 20 0 ABADRP C[C@@H]([NH3+])CC(=O)N[C@H](C)CC[NH3+] 379369639 582677523 /nfs/dbraw/zinc/67/75/23/582677523.db2.gz DXQCDYLLFRHSGY-RNFRBKRXSA-N 2 0 173.260 -0.423 20 0 ABADRP C[C@@H](CC[NH3+])NC(=O)C[C@@H](C)[NH3+] 379369641 582677564 /nfs/dbraw/zinc/67/75/64/582677564.db2.gz DXQCDYLLFRHSGY-RQJHMYQMSA-N 2 0 173.260 -0.423 20 0 ABADRP CC[C@@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 380128536 582677677 /nfs/dbraw/zinc/67/76/77/582677677.db2.gz SIUVZNMDSJDSHI-DTWKUNHWSA-N 2 0 199.298 -0.161 20 0 ABADRP CN(CCC[NH3+])C(=O)[C@@]1(C)CC[NH2+]C1 380127146 582677712 /nfs/dbraw/zinc/67/77/12/582677712.db2.gz RZYKZYMYDMFCIB-JTQLQIEISA-N 2 0 199.298 -0.207 20 0 ABADRP CN(CCC[NH3+])C(=O)[C@]1(C)CC[NH2+]C1 380127150 582677763 /nfs/dbraw/zinc/67/77/63/582677763.db2.gz RZYKZYMYDMFCIB-SNVBAGLBSA-N 2 0 199.298 -0.207 20 0 ABADRP CC[C@@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 380128542 582677808 /nfs/dbraw/zinc/67/78/08/582677808.db2.gz SIUVZNMDSJDSHI-RKDXNWHRSA-N 2 0 199.298 -0.161 20 0 ABADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 380124083 582678380 /nfs/dbraw/zinc/67/83/80/582678380.db2.gz RGLQSRCIEUANDW-RKDXNWHRSA-N 2 0 199.298 -0.081 20 0 ABADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CC[NH3+] 884348244 582679794 /nfs/dbraw/zinc/67/97/94/582679794.db2.gz RNQQSJQPOLBATN-RNFRBKRXSA-N 2 0 185.271 -0.423 20 0 ABADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 380118958 582678727 /nfs/dbraw/zinc/67/87/27/582678727.db2.gz PYTOCIKOSLIHNG-CIUDSAMLSA-N 2 0 199.298 -0.081 20 0 ABADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 380118979 582678564 /nfs/dbraw/zinc/67/85/64/582678564.db2.gz PYTOCIKOSLIHNG-YIZRAAEISA-N 2 0 199.298 -0.081 20 0 ABADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 380118964 582678788 /nfs/dbraw/zinc/67/87/88/582678788.db2.gz PYTOCIKOSLIHNG-DJLDLDEBSA-N 2 0 199.298 -0.081 20 0 ABADRP CC1(C)[C@@H](NC(=O)CC[NH3+])C[C@H]1[NH3+] 884348245 582679411 /nfs/dbraw/zinc/67/94/11/582679411.db2.gz RNQQSJQPOLBATN-RQJHMYQMSA-N 2 0 185.271 -0.423 20 0 ABADRP CC1(C)[C@@H]([NH3+])C[C@H]1NC(=O)CC[NH3+] 884348243 582679596 /nfs/dbraw/zinc/67/95/96/582679596.db2.gz RNQQSJQPOLBATN-NKWVEPMBSA-N 2 0 185.271 -0.423 20 0 ABADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CC[NH3+] 884348242 582679765 /nfs/dbraw/zinc/67/97/65/582679765.db2.gz RNQQSJQPOLBATN-BQBZGAKWSA-N 2 0 185.271 -0.423 20 0 ABADRP C[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1C 306226546 582690000 /nfs/dbraw/zinc/69/00/00/582690000.db2.gz VWKAJLNUTFOVSO-JGVFFNPUSA-N 2 0 185.271 -0.456 20 0 ABADRP C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 307650200 582692028 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/nfs/dbraw/zinc/12/40/67/583124067.db2.gz BEIJUXAQGVJYQK-SSDOTTSWSA-N 2 0 185.271 -0.456 20 0 ABADRP CN(CC[NH3+])C(=O)C[C@H]([NH3+])C1CC1 842510550 583124196 /nfs/dbraw/zinc/12/41/96/583124196.db2.gz RUCJFSRXESWTHP-QMMMGPOBSA-N 2 0 185.271 -0.469 20 0 ABADRP C[C@@H]([NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 842512807 583124198 /nfs/dbraw/zinc/12/41/98/583124198.db2.gz NRHXQJNOPGUHND-PSASIEDQSA-N 2 0 197.282 -0.312 20 0 ABADRP C[C@@H]([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 842512808 583124261 /nfs/dbraw/zinc/12/42/61/583124261.db2.gz NRHXQJNOPGUHND-SCZZXKLOSA-N 2 0 197.282 -0.312 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 842512320 583124294 /nfs/dbraw/zinc/12/42/94/583124294.db2.gz JQXNDGGODMOHJX-JTQLQIEISA-N 2 0 197.282 -0.440 20 0 ABADRP CN(CC[NH3+])C(=O)CCCCC[NH3+] 842509678 583124312 /nfs/dbraw/zinc/12/43/12/583124312.db2.gz MNJNTAZYSVTRJI-UHFFFAOYSA-N 2 0 187.287 -0.077 20 0 ABADRP CN(CC[NH3+])C(=O)[C@@]1(F)CC[NH2+]C1 842509428 583124328 /nfs/dbraw/zinc/12/43/28/583124328.db2.gz 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877095705 583391059 /nfs/dbraw/zinc/39/10/59/583391059.db2.gz OUCIEIOYDPIXCY-ZETCQYMHSA-N 2 0 173.260 -0.599 20 0 ABADRP C[C@H]([NH3+])CN(C)C(=O)[C@H](C)C[NH3+] 877102648 583391083 /nfs/dbraw/zinc/39/10/83/583391083.db2.gz KHOGAKCAAKXFJG-RQJHMYQMSA-N 2 0 173.260 -0.613 20 0 ABADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@]1(C)CC[NH2+]C1 877095620 583391088 /nfs/dbraw/zinc/39/10/88/583391088.db2.gz NBHUAUDPPWXMSH-SCZZXKLOSA-N 2 0 199.298 -0.208 20 0 ABADRP C[C@@H]([NH3+])CN(C)C(=O)C(C)(C)C[NH3+] 877095881 583391092 /nfs/dbraw/zinc/39/10/92/583391092.db2.gz TZQLGVHKBBJWLB-SSDOTTSWSA-N 2 0 187.287 -0.223 20 0 ABADRP C[C@H]([NH3+])CN(C)C(=O)C[C@@H](C)[NH3+] 877095935 583391097 /nfs/dbraw/zinc/39/10/97/583391097.db2.gz VJBFTJONVYKPEE-RQJHMYQMSA-N 2 0 173.260 -0.471 20 0 ABADRP C[C@H]([NH3+])CN(C)C(=O)[C@H](C)[C@H](C)[NH3+] 877103742 583391111 /nfs/dbraw/zinc/39/11/11/583391111.db2.gz ZFVQOACWQVOWBC-RNJXMRFFSA-N 2 0 187.287 -0.225 20 0 ABADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H](C)[C@H](C)[NH3+] 877103741 583391126 /nfs/dbraw/zinc/39/11/26/583391126.db2.gz ZFVQOACWQVOWBC-FXQIFTODSA-N 2 0 187.287 -0.225 20 0 ABADRP C[C@H]([NH3+])CN(C)C(=O)C[C@H]([NH3+])C1CC1 877102150 583391128 /nfs/dbraw/zinc/39/11/28/583391128.db2.gz AGOJHNMWZQUMJJ-CBAPKCEASA-N 2 0 199.298 -0.081 20 0 ABADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]([NH3+])C1CCC1 877106321 583391137 /nfs/dbraw/zinc/39/11/37/583391137.db2.gz WVCTYWMUUIPVRV-VXNVDRBHSA-N 2 0 199.298 -0.081 20 0 ABADRP C[C@@H]([NH3+])CN(C)C(=O)CC[NH3+] 877096051 583391142 /nfs/dbraw/zinc/39/11/42/583391142.db2.gz YEBQEPMHDSUFMQ-ZCFIWIBFSA-N 2 0 159.233 -0.859 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)N(C)C[C@@H](C)[NH3+] 877107066 583391147 /nfs/dbraw/zinc/39/11/47/583391147.db2.gz ZJPAYJGLRQZWPX-SFYZADRCSA-N 2 0 187.287 -0.210 20 0 ABADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H](C)[NH2+]C1CC1 877102370 583391154 /nfs/dbraw/zinc/39/11/54/583391154.db2.gz GKJJGOKKNAPSNX-JGVFFNPUSA-N 2 0 199.298 -0.068 20 0 ABADRP C[NH2+]CC(=O)N(C)C[C@H](C)[NH3+] 877095684 583391178 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583391238 /nfs/dbraw/zinc/39/12/38/583391238.db2.gz OGMNCLJEIMHBRU-BWZBUEFSSA-N 2 0 185.271 -0.471 20 0 ABADRP C[C@H]([NH3+])CN(C)C(=O)C[C@@H]1CCC[NH2+]1 877095857 583391251 /nfs/dbraw/zinc/39/12/51/583391251.db2.gz SYODADZDUSTKIL-IUCAKERBSA-N 2 0 199.298 -0.066 20 0 ABADRP C[C@@H]([NH3+])CN(C)C(=O)C1([NH3+])CC1 877095617 583391268 /nfs/dbraw/zinc/39/12/68/583391268.db2.gz NAIQXJRAKREXOG-ZCFIWIBFSA-N 2 0 171.244 -0.717 20 0 ABADRP C[C@H]([NH2+]C1CC1)C(=O)N(C)C[C@@H](C)[NH3+] 877102371 583391272 /nfs/dbraw/zinc/39/12/72/583391272.db2.gz GKJJGOKKNAPSNX-SFYZADRCSA-N 2 0 199.298 -0.068 20 0 ABADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 877102333 583391280 /nfs/dbraw/zinc/39/12/80/583391280.db2.gz FQSXDMYJGFFTPR-BGZDPUMWSA-N 2 0 197.282 -0.458 20 0 ABADRP C[C@@H]([NH3+])CN(C)C(=O)CCC[NH3+] 877095293 583391283 /nfs/dbraw/zinc/39/12/83/583391283.db2.gz JXBTZVAEAYSPTB-SSDOTTSWSA-N 2 0 173.260 -0.469 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N(C)C[C@H](C)[NH3+] 877106774 583391286 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XQLUBRQRQVSXDL-MRVPVSSYSA-N 2 0 185.271 -0.454 20 0 ABADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH2+]C 19435688 167207968 /nfs/dbraw/zinc/20/79/68/167207968.db2.gz IEFLRXOELBJSGN-VIFPVBQESA-N 2 0 199.298 -0.194 20 0 ABADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH3+])C1 40503556 167208106 /nfs/dbraw/zinc/20/81/06/167208106.db2.gz BLJVPLSAEXGJBM-BDAKNGLRSA-N 2 0 199.298 -0.066 20 0 ABADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH3+] 19488464 167208474 /nfs/dbraw/zinc/20/84/74/167208474.db2.gz OEGKMSRBANIYEC-RKDXNWHRSA-N 2 0 199.298 -0.066 20 0 ABADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH3+] 40456464 167209677 /nfs/dbraw/zinc/20/96/77/167209677.db2.gz OEGKMSRBANIYEC-DTWKUNHWSA-N 2 0 199.298 -0.066 20 0 ABADRP CC[N@@H+]1CCC[C@H](NC(=O)CC[NH3+])C1 40503542 167209692 /nfs/dbraw/zinc/20/96/92/167209692.db2.gz IILUMMMIXUKLST-VIFPVBQESA-N 2 0 199.298 -0.064 20 0 ABADRP CC[N@@H+]1CCC[C@@H]1CNC(N)=[NH2+] 53278579 167210473 /nfs/dbraw/zinc/21/04/73/167210473.db2.gz MMJQPHZNGYTMSE-SSDOTTSWSA-N 2 0 170.260 -0.046 20 0 ABADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[NH3+])C1 37484133 167216478 /nfs/dbraw/zinc/21/64/78/167216478.db2.gz CBWDSKNNFUJYPM-QMMMGPOBSA-N 2 0 185.271 -0.597 20 0 ABADRP CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH3+])C1 37655330 167216982 /nfs/dbraw/zinc/21/69/82/167216982.db2.gz WSALWBBVJOBBHQ-VIFPVBQESA-N 2 0 199.298 -0.207 20 0 ABADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH3+])C1 37484137 167217743 /nfs/dbraw/zinc/21/77/43/167217743.db2.gz MTFQFKGAWQJLCP-BDAKNGLRSA-N 2 0 199.298 -0.208 20 0 ABADRP CC[N@@H+]1CC[C@H](CNC(=O)CC[NH3+])C1 37655329 167221993 /nfs/dbraw/zinc/22/19/93/167221993.db2.gz WSALWBBVJOBBHQ-SECBINFHSA-N 2 0 199.298 -0.207 20 0 ABADRP CC[N@@H+]1CC[C@H](CNC(=O)C[NH3+])C1 37484132 167222680 /nfs/dbraw/zinc/22/26/80/167222680.db2.gz CBWDSKNNFUJYPM-MRVPVSSYSA-N 2 0 185.271 -0.597 20 0 ABADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH3+])C1 37484136 167225437 /nfs/dbraw/zinc/22/54/37/167225437.db2.gz MTFQFKGAWQJLCP-RKDXNWHRSA-N 2 0 199.298 -0.208 20 0 ABADRP CC[NH2+]CC(=O)NC1CCC([NH3+])CC1 51694763 167257232 /nfs/dbraw/zinc/25/72/32/167257232.db2.gz BPHQQEMSDMBCKV-UHFFFAOYSA-N 2 0 199.298 -0.018 20 0 ABADRP CC[NH2+]CC(=O)N1CCC[NH2+]CC1 44647210 167257651 /nfs/dbraw/zinc/25/76/51/167257651.db2.gz SPEJGIVBTXYXNF-UHFFFAOYSA-N 2 0 185.271 -0.582 20 0 ABADRP CC[NH2+]CC(=O)N1CC[NH2+]CC1 44647183 167259572 /nfs/dbraw/zinc/25/95/72/167259572.db2.gz DPCHFIQEHFVNTN-UHFFFAOYSA-N 2 0 171.244 -0.972 20 0 ABADRP CC[NH2+]CC(=O)N1CCC[N@H+](C)CC1 44646851 167260202 /nfs/dbraw/zinc/26/02/02/167260202.db2.gz UAZWAFJOFBWVDL-UHFFFAOYSA-N 2 0 199.298 -0.240 20 0 ABADRP CC[NH2+]C1(CO)CC[NH2+]CC1 40695538 167260490 /nfs/dbraw/zinc/26/04/90/167260490.db2.gz BLEWBWSARVCXBL-UHFFFAOYSA-N 2 0 158.245 -0.290 20 0 ABADRP CC[NH2+]CC(=O)NCCCC[NH3+] 44651352 167260520 /nfs/dbraw/zinc/26/05/20/167260520.db2.gz SGBLYQHAYAWOCC-UHFFFAOYSA-N 2 0 173.260 -0.549 20 0 ABADRP CC[NH2+]C[C@@H](C)[NH3+] 34588077 167270222 /nfs/dbraw/zinc/27/02/22/167270222.db2.gz RFWLRDUNLTZRIQ-RXMQYKEDSA-N 2 0 102.181 -0.057 20 0 ABADRP CC[NH2+]C[C@H](C)[NH3+] 34588078 167271896 /nfs/dbraw/zinc/27/18/96/167271896.db2.gz RFWLRDUNLTZRIQ-YFKPBYRVSA-N 2 0 102.181 -0.057 20 0 ABADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH3+] 19488465 167209344 /nfs/dbraw/zinc/20/93/44/167209344.db2.gz OEGKMSRBANIYEC-BDAKNGLRSA-N 2 0 199.298 -0.066 20 0 ABADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH3+])C1 40503589 167209407 /nfs/dbraw/zinc/20/94/07/167209407.db2.gz BLJVPLSAEXGJBM-IUCAKERBSA-N 2 0 199.298 -0.066 20 0 ABADRP CC[C@@H]([NH3+])C(=O)NCC[NH+](C)C 36871031 167520036 /nfs/dbraw/zinc/52/00/36/167520036.db2.gz BJPFJLQINULJDC-SSDOTTSWSA-N 2 0 173.260 -0.599 20 0 ABADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[NH3+] 41043478 167630479 /nfs/dbraw/zinc/63/04/79/167630479.db2.gz YTCHXFDKCJQIAQ-BQBZGAKWSA-N 2 0 173.260 -0.565 20 0 ABADRP C[NH+](C)C(C)(C)CNC(=O)C[NH3+] 40807133 167828277 /nfs/dbraw/zinc/82/82/77/167828277.db2.gz USHAVQRGVQRQAJ-UHFFFAOYSA-N 2 0 173.260 -0.599 20 0 ABADRP C[NH+](C)CCCCNC(N)=[NH2+] 52035790 167832411 /nfs/dbraw/zinc/83/24/11/167832411.db2.gz DRUGDYGHTNWEOF-UHFFFAOYSA-N 2 0 158.249 -0.189 20 0 ABADRP CN(CCC[NH+](C)C)C(=O)CC[NH3+] 41204049 167833015 /nfs/dbraw/zinc/83/30/15/167833015.db2.gz FUFBDRCCBOWJSJ-UHFFFAOYSA-N 2 0 187.287 -0.255 20 0 ABADRP C[NH+](C)CCNC(=O)C1([NH3+])CCCC1 37479355 167835718 /nfs/dbraw/zinc/83/57/18/167835718.db2.gz AIKAHNZJWVWYTK-UHFFFAOYSA-N 2 0 199.298 -0.064 20 0 ABADRP C[NH+](C)[C@H]1CCN(C(N)=[NH2+])C1 62985181 167852611 /nfs/dbraw/zinc/85/26/11/167852611.db2.gz SEHKNGOVYAIFDD-LURJTMIESA-N 2 0 156.233 -0.484 20 0 ABADRP CN(CC1CC[NH2+]CC1)C1C[NH2+]C1 307357369 167871303 /nfs/dbraw/zinc/87/13/03/167871303.db2.gz WILKJSROIBITKH-UHFFFAOYSA-N 2 0 183.299 -0.110 20 0 ABADRP CN(CC[NH3+])C(=O)C1([NH3+])CCCC1 335398015 167876046 /nfs/dbraw/zinc/87/60/46/167876046.db2.gz ZKSOGNXICLJLAU-UHFFFAOYSA-N 2 0 185.271 -0.325 20 0 ABADRP CN(CC[NH3+])C(=O)[C@H]1CCC[NH2+]1 335398225 167877902 /nfs/dbraw/zinc/87/79/02/167877902.db2.gz HNPYBLVCBURZTI-SSDOTTSWSA-N 2 0 171.244 -0.845 20 0 ABADRP CN(CC[NH3+])C(=O)[C@]1(C)CCC[NH2+]C1 335395845 167878960 /nfs/dbraw/zinc/87/89/60/167878960.db2.gz LSJSWXYXOVMSLA-SNVBAGLBSA-N 2 0 199.298 -0.207 20 0 ABADRP C[NH+]1CCC(CNC(N)=[NH2+])CC1 52036113 167901821 /nfs/dbraw/zinc/90/18/21/167901821.db2.gz RMYQFPCQKZEBEP-UHFFFAOYSA-N 2 0 170.260 -0.189 20 0 ABADRP C[NH2+]CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 335437512 167985623 /nfs/dbraw/zinc/98/56/23/167985623.db2.gz PLCKHSWXTLLEQE-DTWKUNHWSA-N 2 0 197.282 -0.584 20 0 ABADRP C[NH2+]CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C 307074635 167985675 /nfs/dbraw/zinc/98/56/75/167985675.db2.gz NFUNYOPOLGTUPM-SFYZADRCSA-N 2 0 185.271 -0.585 20 0 ABADRP C[NH2+]CC(=O)N1CCC[C@@H]([NH2+]C)C1 308550069 167985746 /nfs/dbraw/zinc/98/57/46/167985746.db2.gz VCQMGSNKBPDUPS-MRVPVSSYSA-N 2 0 185.271 -0.584 20 0 ABADRP C[NH2+]CCC(=O)N1CC[NH2+][C@H](C)[C@H]1C 335623852 167989778 /nfs/dbraw/zinc/98/97/78/167989778.db2.gz WMNPVLYUZFRCQO-RKDXNWHRSA-N 2 0 199.298 -0.195 20 0 ABADRP C[NH2+]CCC(=O)N1CC[NH2+][C@H](C)[C@@H]1C 335623843 167990385 /nfs/dbraw/zinc/99/03/85/167990385.db2.gz WMNPVLYUZFRCQO-BDAKNGLRSA-N 2 0 199.298 -0.195 20 0 ABADRP C[NH2+]CCN(C)CC(C)(C)[NH3+] 95936716 167996409 /nfs/dbraw/zinc/99/64/09/167996409.db2.gz HESHGPKESBBDDQ-UHFFFAOYSA-N 2 0 159.277 -0.125 20 0 ABADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 309002069 168002684 /nfs/dbraw/zinc/00/26/84/168002684.db2.gz OKZMPGNHYHJZKR-RKDXNWHRSA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+]CC1 82635821 168002882 /nfs/dbraw/zinc/00/28/82/168002882.db2.gz CFKDTZREDFVUIL-MRVPVSSYSA-N 2 0 185.271 -0.726 20 0 ABADRP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C 308862841 168002962 /nfs/dbraw/zinc/00/29/62/168002962.db2.gz CEQMSGFZIOPUAT-RKDXNWHRSA-N 2 0 199.298 -0.338 20 0 ABADRP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+][C@H](C)C1 308878959 168003082 /nfs/dbraw/zinc/00/30/82/168003082.db2.gz OZPDCWOUUQFYDE-RKDXNWHRSA-N 2 0 199.298 -0.338 20 0 ABADRP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1C 308862836 168003382 /nfs/dbraw/zinc/00/33/82/168003382.db2.gz CEQMSGFZIOPUAT-BDAKNGLRSA-N 2 0 199.298 -0.338 20 0 ABADRP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+][C@@H](C)C1 335620298 168003404 /nfs/dbraw/zinc/00/34/04/168003404.db2.gz OZPDCWOUUQFYDE-BDAKNGLRSA-N 2 0 199.298 -0.338 20 0 ABADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H]([NH3+])C1 335606591 168004268 /nfs/dbraw/zinc/00/42/68/168004268.db2.gz OKZMPGNHYHJZKR-BDAKNGLRSA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[NH2+]1 335620300 168007284 /nfs/dbraw/zinc/00/72/84/168007284.db2.gz QIQDNWDLXXCNRX-DTWKUNHWSA-N 2 0 197.282 -0.441 20 0 ABADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)[NH3+] 335606587 168007509 /nfs/dbraw/zinc/00/75/09/168007509.db2.gz NXJFKBJNIRAUMM-SFYZADRCSA-N 2 0 185.271 -0.456 20 0 ABADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] 335606589 168007656 /nfs/dbraw/zinc/00/76/56/168007656.db2.gz NXJFKBJNIRAUMM-YUMQZZPRSA-N 2 0 185.271 -0.456 20 0 ABADRP C[NH2+]C[C@@]1(OC)CC[NH2+]C1 34516153 168008934 /nfs/dbraw/zinc/00/89/34/168008934.db2.gz QKKGJYAFMUSLSB-ZETCQYMHSA-N 2 0 144.218 -0.416 20 0 ABADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]([NH3+])C1 335606593 168009001 /nfs/dbraw/zinc/00/90/01/168009001.db2.gz OKZMPGNHYHJZKR-IUCAKERBSA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 309002067 168010047 /nfs/dbraw/zinc/01/00/47/168010047.db2.gz OKZMPGNHYHJZKR-DTWKUNHWSA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[NH2+]1 335620301 168012593 /nfs/dbraw/zinc/01/25/93/168012593.db2.gz QIQDNWDLXXCNRX-RKDXNWHRSA-N 2 0 197.282 -0.441 20 0 ABADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)[NH3+] 335606583 168013226 /nfs/dbraw/zinc/01/32/26/168013226.db2.gz NXJFKBJNIRAUMM-HTQZYQBOSA-N 2 0 185.271 -0.456 20 0 ABADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)[NH3+] 335606585 168013286 /nfs/dbraw/zinc/01/32/86/168013286.db2.gz NXJFKBJNIRAUMM-JGVFFNPUSA-N 2 0 185.271 -0.456 20 0 ABADRP C[NH2+]C[C@]1(OC)CC[NH2+]C1 34516152 168014712 /nfs/dbraw/zinc/01/47/12/168014712.db2.gz QKKGJYAFMUSLSB-SSDOTTSWSA-N 2 0 144.218 -0.416 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CCC[NH2+]CC1 54072255 168029650 /nfs/dbraw/zinc/02/96/50/168029650.db2.gz ZESGKPUJTDGXKR-QMMMGPOBSA-N 2 0 185.271 -0.584 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC1CC[NH+](C)CC1 54072078 168029992 /nfs/dbraw/zinc/02/99/92/168029992.db2.gz PFOMZNNBHBZMNI-QMMMGPOBSA-N 2 0 199.298 -0.195 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+](C)C1 54074458 168030031 /nfs/dbraw/zinc/03/00/31/168030031.db2.gz CFGPZQPBCPHCHQ-DTWKUNHWSA-N 2 0 199.298 -0.338 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CCC[N@H+](C)CC1 54071837 168030978 /nfs/dbraw/zinc/03/09/78/168030978.db2.gz DAMKFCKJELKQPH-VIFPVBQESA-N 2 0 199.298 -0.242 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC1CCC([NH3+])CC1 54076957 168031134 /nfs/dbraw/zinc/03/11/34/168031134.db2.gz HFPUKKSDBYGHCB-UEJVZZJDSA-N 2 0 199.298 -0.020 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]CC1 54072216 168031382 /nfs/dbraw/zinc/03/13/82/168031382.db2.gz KOTOKXLILGYUBE-ZETCQYMHSA-N 2 0 171.244 -0.974 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C)C1 54074456 168031445 /nfs/dbraw/zinc/03/14/45/168031445.db2.gz CFGPZQPBCPHCHQ-IUCAKERBSA-N 2 0 199.298 -0.338 20 0 ABADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)C[NH3+])C1 335864384 168040177 /nfs/dbraw/zinc/04/01/77/168040177.db2.gz UOZMVNCWNQHUNG-DTWKUNHWSA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)[NH3+])C1 308988322 168040219 /nfs/dbraw/zinc/04/02/19/168040219.db2.gz KJPQLBJLQVIUPD-DTWKUNHWSA-N 2 0 199.298 -0.066 20 0 ABADRP C[NH2+][C@@H]1CCN(C(=O)C(C)(C)C[NH3+])C1 335606381 168040353 /nfs/dbraw/zinc/04/03/53/168040353.db2.gz XSZPCIFQJQIGJY-MRVPVSSYSA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]([NH3+])C(C)C)C1 309018161 168040483 /nfs/dbraw/zinc/04/04/83/168040483.db2.gz VLGNILANCIJMDO-RKDXNWHRSA-N 2 0 199.298 -0.210 20 0 ABADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 306226863 168040640 /nfs/dbraw/zinc/04/06/40/168040640.db2.gz CNDBPBHKDDCOKK-BDAKNGLRSA-N 2 0 197.282 -0.441 20 0 ABADRP C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 306364780 168040795 /nfs/dbraw/zinc/04/07/95/168040795.db2.gz BHKQNAJRRLEOKJ-MRVPVSSYSA-N 2 0 199.298 -0.066 20 0 ABADRP C[NH2+][C@@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 335487543 168041030 /nfs/dbraw/zinc/04/10/30/168041030.db2.gz NEGPIIGOMLPMKP-MRVPVSSYSA-N 2 0 197.282 -0.584 20 0 ABADRP C[NH2+][C@@H]1CCCN(CC[NH3+])C1 108012945 168041276 /nfs/dbraw/zinc/04/12/76/168041276.db2.gz PSONOKDEISQQRZ-MRVPVSSYSA-N 2 0 157.261 -0.371 20 0 ABADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C1 306387085 168041492 /nfs/dbraw/zinc/04/14/92/168041492.db2.gz CNDBPBHKDDCOKK-RKDXNWHRSA-N 2 0 197.282 -0.441 20 0 ABADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[NH3+])C1 306758506 168041875 /nfs/dbraw/zinc/04/18/75/168041875.db2.gz OLMUNRMOADLTSB-HTQZYQBOSA-N 2 0 185.271 -0.456 20 0 ABADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 306597661 168042085 /nfs/dbraw/zinc/04/20/85/168042085.db2.gz OLMUNRMOADLTSB-JGVFFNPUSA-N 2 0 185.271 -0.456 20 0 ABADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)C[NH3+])C1 335864386 168042104 /nfs/dbraw/zinc/04/21/04/168042104.db2.gz UOZMVNCWNQHUNG-RKDXNWHRSA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 306224729 168042132 /nfs/dbraw/zinc/04/21/32/168042132.db2.gz BBCPUBVFTZUFBG-RKDXNWHRSA-N 2 0 197.282 -0.441 20 0 ABADRP C[NH2+][C@@H]1CCN(C[C@H](C)[NH3+])C1 307286877 168043407 /nfs/dbraw/zinc/04/34/07/168043407.db2.gz SINBCAWWJNTWPB-JGVFFNPUSA-N 2 0 157.261 -0.373 20 0 ABADRP C[NH2+][C@@H]1CCN(C[C@@H](C)[NH3+])C1 307286876 168044089 /nfs/dbraw/zinc/04/40/89/168044089.db2.gz SINBCAWWJNTWPB-HTQZYQBOSA-N 2 0 157.261 -0.373 20 0 ABADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 306224726 168056874 /nfs/dbraw/zinc/05/68/74/168056874.db2.gz BBCPUBVFTZUFBG-DTWKUNHWSA-N 2 0 197.282 -0.441 20 0 ABADRP C[NH2+][C@H]1CCCN(CC[NH3+])C1 108012948 168056933 /nfs/dbraw/zinc/05/69/33/168056933.db2.gz PSONOKDEISQQRZ-QMMMGPOBSA-N 2 0 157.261 -0.371 20 0 ABADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C1 306387084 168056970 /nfs/dbraw/zinc/05/69/70/168056970.db2.gz CNDBPBHKDDCOKK-DTWKUNHWSA-N 2 0 197.282 -0.441 20 0 ABADRP C[NH2+][C@H]1CCCN(C(=O)C[C@H](C)[NH3+])C1 308988323 168057041 /nfs/dbraw/zinc/05/70/41/168057041.db2.gz KJPQLBJLQVIUPD-IUCAKERBSA-N 2 0 199.298 -0.066 20 0 ABADRP C[NH2+][C@H]1CCN(C(=O)[C@H]([NH3+])C(C)C)C1 309018156 168057064 /nfs/dbraw/zinc/05/70/64/168057064.db2.gz VLGNILANCIJMDO-DTWKUNHWSA-N 2 0 199.298 -0.210 20 0 ABADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)[NH3+])C1 306758509 168057111 /nfs/dbraw/zinc/05/71/11/168057111.db2.gz OLMUNRMOADLTSB-SFYZADRCSA-N 2 0 185.271 -0.456 20 0 ABADRP C[NH2+][C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 306597662 168057143 /nfs/dbraw/zinc/05/71/43/168057143.db2.gz OLMUNRMOADLTSB-YUMQZZPRSA-N 2 0 185.271 -0.456 20 0 ABADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1 309018158 168057352 /nfs/dbraw/zinc/05/73/52/168057352.db2.gz VLGNILANCIJMDO-IUCAKERBSA-N 2 0 199.298 -0.210 20 0 ABADRP C[NH2+][C@H]1CCCN(C(=O)[C@H](C)C[NH3+])C1 335864383 168057413 /nfs/dbraw/zinc/05/74/13/168057413.db2.gz UOZMVNCWNQHUNG-BDAKNGLRSA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 306364784 168057429 /nfs/dbraw/zinc/05/74/29/168057429.db2.gz BHKQNAJRRLEOKJ-QMMMGPOBSA-N 2 0 199.298 -0.066 20 0 ABADRP C[NH2+][C@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 335487544 168057509 /nfs/dbraw/zinc/05/75/09/168057509.db2.gz NEGPIIGOMLPMKP-QMMMGPOBSA-N 2 0 197.282 -0.584 20 0 ABADRP C[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)[NH3+])C1 308988321 168057803 /nfs/dbraw/zinc/05/78/03/168057803.db2.gz KJPQLBJLQVIUPD-BDAKNGLRSA-N 2 0 199.298 -0.066 20 0 ABADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)C[NH3+])C1 335864385 168058105 /nfs/dbraw/zinc/05/81/05/168058105.db2.gz UOZMVNCWNQHUNG-IUCAKERBSA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH2+][C@H]1CCN(C(=O)C(C)(C)C[NH3+])C1 335606584 168058120 /nfs/dbraw/zinc/05/81/20/168058120.db2.gz XSZPCIFQJQIGJY-QMMMGPOBSA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 306226864 168058270 /nfs/dbraw/zinc/05/82/70/168058270.db2.gz CNDBPBHKDDCOKK-IUCAKERBSA-N 2 0 197.282 -0.441 20 0 ABADRP C[NH2+][C@H]1CCN(C[C@@H](C)[NH3+])C1 307286878 168059475 /nfs/dbraw/zinc/05/94/75/168059475.db2.gz SINBCAWWJNTWPB-SFYZADRCSA-N 2 0 157.261 -0.373 20 0 ABADRP C[NH2+][C@H]1CCN(C[C@H](C)[NH3+])C1 307286879 168059943 /nfs/dbraw/zinc/05/99/43/168059943.db2.gz SINBCAWWJNTWPB-YUMQZZPRSA-N 2 0 157.261 -0.373 20 0 ABADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1 309018154 168041563 /nfs/dbraw/zinc/04/15/63/168041563.db2.gz VLGNILANCIJMDO-BDAKNGLRSA-N 2 0 199.298 -0.210 20 0 ABADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)[NH3+])C1 308988324 168041757 /nfs/dbraw/zinc/04/17/57/168041757.db2.gz KJPQLBJLQVIUPD-RKDXNWHRSA-N 2 0 199.298 -0.066 20 0 ABADRP COCCCN(CC[NH3+])CCOC 42408685 168153589 /nfs/dbraw/zinc/15/35/89/168153589.db2.gz KEPQEXVMRHLOGT-UHFFFAOYSA-N 2 0 190.287 -0.070 20 0 ABADRP COCCCN1CCO[C@@H](C[NH3+])C1 11885781 168154096 /nfs/dbraw/zinc/15/40/96/168154096.db2.gz XJODMOWXZBJJBF-VIFPVBQESA-N 2 0 188.271 -0.318 20 0 ABADRP COCCCN1CCO[C@H](C[NH3+])C1 11885784 168154203 /nfs/dbraw/zinc/15/42/03/168154203.db2.gz XJODMOWXZBJJBF-SECBINFHSA-N 2 0 188.271 -0.318 20 0 ABADRP COCC[NH+](CCC[NH3+])CCOC 4226734 168161857 /nfs/dbraw/zinc/16/18/57/168161857.db2.gz IIDKMDPKQBPCNM-UHFFFAOYSA-N 2 0 190.287 -0.070 20 0 ABADRP CSCC[C@H]([NH3+])C(=O)NCC[NH3+] 41664799 168302811 /nfs/dbraw/zinc/30/28/11/168302811.db2.gz GOSPWQITBVXBQF-LURJTMIESA-N 2 0 191.300 -0.858 20 0 ABADRP C[C@@H](C(=O)N1CC[NH2+]CC1)[NH+](C)C 19474179 168324937 /nfs/dbraw/zinc/32/49/37/168324937.db2.gz XNCRSQITFPAJIZ-QMMMGPOBSA-N 2 0 185.271 -0.632 20 0 ABADRP C[C@@H](C(N)=O)[NH+]1CCC(C[NH3+])CC1 44514430 168330148 /nfs/dbraw/zinc/33/01/48/168330148.db2.gz NAGOYBZUMPJKKM-ZETCQYMHSA-N 2 0 185.271 -0.469 20 0 ABADRP C[C@@H](CC[NH+](C)C)NC(=O)CC[NH3+] 49557992 168336638 /nfs/dbraw/zinc/33/66/38/168336638.db2.gz UZFZBSWSEBEXMS-QMMMGPOBSA-N 2 0 187.287 -0.208 20 0 ABADRP C[C@@H](CC[NH+](C)C)NC(=O)C[NH3+] 49559629 168337118 /nfs/dbraw/zinc/33/71/18/168337118.db2.gz LZPMFRYMPJPWLP-ZETCQYMHSA-N 2 0 173.260 -0.599 20 0 ABADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](C)[NH3+] 42477062 168337792 /nfs/dbraw/zinc/33/77/92/168337792.db2.gz CADCJHXILRDRHB-JGVFFNPUSA-N 2 0 187.287 -0.210 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N1CC[NH2+][C@H](C)C1 306291456 168340494 /nfs/dbraw/zinc/34/04/94/168340494.db2.gz RGQZKZIZASTXAJ-JGVFFNPUSA-N 2 0 185.271 -0.599 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N1CCC[N@H+](C)CC1 44799495 168340528 /nfs/dbraw/zinc/34/05/28/168340528.db2.gz AQNHQJZAYZVYAM-VIFPVBQESA-N 2 0 199.298 -0.255 20 0 ABADRP C[C@@H](C[NH3+])C(=O)NC[C@H](C)[NH+](C)C 45108037 168340533 /nfs/dbraw/zinc/34/05/33/168340533.db2.gz GRRNOHMSKVJZSA-YUMQZZPRSA-N 2 0 187.287 -0.353 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1C 306631601 168340584 /nfs/dbraw/zinc/34/05/84/168340584.db2.gz NVKGDCDYTAHXGE-YUMQZZPRSA-N 2 0 185.271 -0.599 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N1CCC[NH2+]CC1 54337907 168340611 /nfs/dbraw/zinc/34/06/11/168340611.db2.gz ZLLLZCHJLYSCJF-QMMMGPOBSA-N 2 0 185.271 -0.597 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] 309024837 168340616 /nfs/dbraw/zinc/34/06/16/168340616.db2.gz ZIQQGSFEBVPMSQ-DTWKUNHWSA-N 2 0 199.298 -0.079 20 0 ABADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 44802737 168340710 /nfs/dbraw/zinc/34/07/10/168340710.db2.gz UPWLFXKXHDPPIP-DTWKUNHWSA-N 2 0 199.298 -0.351 20 0 ABADRP C[C@@H](C[NH3+])C(=O)NC[C@@H](C)[NH+](C)C 45108035 168340825 /nfs/dbraw/zinc/34/08/25/168340825.db2.gz GRRNOHMSKVJZSA-JGVFFNPUSA-N 2 0 187.287 -0.353 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C 335435350 168341140 /nfs/dbraw/zinc/34/11/40/168341140.db2.gz SDCLZCOXSCPETH-JGVFFNPUSA-N 2 0 199.298 -0.162 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C 335435357 168341326 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CRHWHADBVLQZGE-JGVFFNPUSA-N 2 0 185.271 -0.551 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 335599923 168341741 /nfs/dbraw/zinc/34/17/41/168341741.db2.gz XTICIKRLPIWPRD-QMMMGPOBSA-N 2 0 199.298 -0.208 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]CC1 54337896 168341758 /nfs/dbraw/zinc/34/17/58/168341758.db2.gz QARRUHWICLWNML-ZETCQYMHSA-N 2 0 171.244 -0.987 20 0 ABADRP C[C@@H](C[NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 44802732 168341804 /nfs/dbraw/zinc/34/18/04/168341804.db2.gz UPWLFXKXHDPPIP-IUCAKERBSA-N 2 0 199.298 -0.351 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH3+] 335608785 168341855 /nfs/dbraw/zinc/34/18/55/168341855.db2.gz YDCGFBTUDZUUEJ-JGVFFNPUSA-N 2 0 185.271 -0.469 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N[C@H]1CCC[NH2+]C1 306548259 168341918 /nfs/dbraw/zinc/34/19/18/168341918.db2.gz CRHWHADBVLQZGE-YUMQZZPRSA-N 2 0 185.271 -0.551 20 0 ABADRP C[C@@H](C[NH3+])C(=O)NCC[NH+](C)C 44795932 168342023 /nfs/dbraw/zinc/34/20/23/168342023.db2.gz WCHPUHLZWOWPIX-ZETCQYMHSA-N 2 0 173.260 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C[C@H]([NH3+])CCNC(=O)C[NH+](C)C 167921337 344317179 /nfs/dbraw/zinc/31/71/79/344317179.db2.gz JMQVGUJYZKZOGA-ZETCQYMHSA-N 2 0 173.260 -0.599 20 0 ABADRP C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@@H](C)[NH2+]1 167937790 344317371 /nfs/dbraw/zinc/31/73/71/344317371.db2.gz ZRROGNOXMMZGES-RKDXNWHRSA-N 2 0 199.298 -0.243 20 0 ABADRP C[C@H]1CN(C(=O)C[NH+](C)C)C[C@@H](C)[NH2+]1 167937576 344317612 /nfs/dbraw/zinc/31/76/12/344317612.db2.gz ZRROGNOXMMZGES-DTORHVGOSA-N 2 0 199.298 -0.243 20 0 ABADRP C[C@H]1CN(C(=O)C[NH+](C)C)C[C@H](C)[NH2+]1 167937685 344317641 /nfs/dbraw/zinc/31/76/41/344317641.db2.gz ZRROGNOXMMZGES-IUCAKERBSA-N 2 0 199.298 -0.243 20 0 ABADRP C[C@@H]1CN(C(=O)C[NH+](C)C)CC[C@@H]1[NH3+] 167991896 344318022 /nfs/dbraw/zinc/31/80/22/344318022.db2.gz BHJZAHWYUVCYJB-BDAKNGLRSA-N 2 0 199.298 -0.256 20 0 ABADRP C[C@H]1CN(C(=O)C[NH+](C)C)CC[C@@H]1[NH3+] 167992018 344318033 /nfs/dbraw/zinc/31/80/33/344318033.db2.gz BHJZAHWYUVCYJB-IUCAKERBSA-N 2 0 199.298 -0.256 20 0 ABADRP 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202810750 344367708 /nfs/dbraw/zinc/36/77/08/344367708.db2.gz JJNPFEFWBVYLSP-SECBINFHSA-N 2 0 199.298 -0.114 20 0 ABADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH3+])C1 202810739 344367775 /nfs/dbraw/zinc/36/77/75/344367775.db2.gz JJNPFEFWBVYLSP-VIFPVBQESA-N 2 0 199.298 -0.114 20 0 ABADRP CN(C)CC(=O)NC[C@H]1CCC[N@@H+]1C 210936609 344377323 /nfs/dbraw/zinc/37/73/23/344377323.db2.gz IASZOJCGWNUYKE-SECBINFHSA-N 2 0 199.298 -0.242 20 0 ABADRP [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CC[NH2+]C1 211471300 344377829 /nfs/dbraw/zinc/37/78/29/344377829.db2.gz PGXFWGWZBIRHTL-DTWKUNHWSA-N 2 0 197.282 -0.454 20 0 ABADRP [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH2+]C1 211471223 344377836 /nfs/dbraw/zinc/37/78/36/344377836.db2.gz PGXFWGWZBIRHTL-BDAKNGLRSA-N 2 0 197.282 -0.454 20 0 ABADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 211470583 344377874 /nfs/dbraw/zinc/37/78/74/344377874.db2.gz VVOORNATXGCHAU-RKDXNWHRSA-N 2 0 197.282 -0.536 20 0 ABADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 211470721 344377887 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LGJOGJKOFCGZFZ-JGVFFNPUSA-N 2 0 185.271 -0.552 20 0 ABADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 214118889 344382042 /nfs/dbraw/zinc/38/20/42/344382042.db2.gz LGJOGJKOFCGZFZ-HTQZYQBOSA-N 2 0 185.271 -0.552 20 0 ABADRP [NH3+]CCN1CCC(C[NH3+])CC1 217749596 344405773 /nfs/dbraw/zinc/40/57/73/344405773.db2.gz PHKIYEBNUHTLRX-UHFFFAOYSA-N 2 0 157.261 -0.384 20 0 ABADRP [NH3+]C[C@]1(C2(O)C[NH2+]C2)CCCOC1 219044575 344419068 /nfs/dbraw/zinc/41/90/68/344419068.db2.gz GXKITLHCJAXVBJ-MRVPVSSYSA-N 2 0 186.255 -0.924 20 0 ABADRP [NH3+]C[C@@]1(C2(O)C[NH2+]C2)CCCOC1 219044500 344419231 /nfs/dbraw/zinc/41/92/31/344419231.db2.gz GXKITLHCJAXVBJ-QMMMGPOBSA-N 2 0 186.255 -0.924 20 0 ABADRP CNC(=O)CN1CCC[C@@H](C)[C@@H]1C[NH3+] 221455366 344443221 /nfs/dbraw/zinc/44/32/21/344443221.db2.gz YBVBTKYEGXSEGS-BDAKNGLRSA-N 2 0 199.298 -0.208 20 0 ABADRP CNC(=O)CN1CCC[C@H](C)[C@@H]1C[NH3+] 221455416 344443261 /nfs/dbraw/zinc/44/32/61/344443261.db2.gz YBVBTKYEGXSEGS-IUCAKERBSA-N 2 0 199.298 -0.208 20 0 ABADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 221964168 344447612 /nfs/dbraw/zinc/44/76/12/344447612.db2.gz HIUKJBMJCBKYQZ-YUMQZZPRSA-N 2 0 183.255 -0.784 20 0 ABADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]1 221964014 344447778 /nfs/dbraw/zinc/44/77/78/344447778.db2.gz HIUKJBMJCBKYQZ-HTQZYQBOSA-N 2 0 183.255 -0.784 20 0 ABADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]1 221964121 344447780 /nfs/dbraw/zinc/44/77/80/344447780.db2.gz HIUKJBMJCBKYQZ-JGVFFNPUSA-N 2 0 183.255 -0.784 20 0 ABADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 221964068 344447815 /nfs/dbraw/zinc/44/78/15/344447815.db2.gz HIUKJBMJCBKYQZ-SFYZADRCSA-N 2 0 183.255 -0.784 20 0 ABADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 223315724 344459353 /nfs/dbraw/zinc/45/93/53/344459353.db2.gz WKORJPHQZCHULN-RNFRBKRXSA-N 2 0 171.244 -0.798 20 0 ABADRP C[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 223315779 344459562 /nfs/dbraw/zinc/45/95/62/344459562.db2.gz WKORJPHQZCHULN-RQJHMYQMSA-N 2 0 171.244 -0.798 20 0 ABADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH3+] 224045049 344465854 /nfs/dbraw/zinc/46/58/54/344465854.db2.gz NGLAOJVEYAGLPU-MRVPVSSYSA-N 2 0 185.271 -0.454 20 0 ABADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH3+] 224045193 344465984 /nfs/dbraw/zinc/46/59/84/344465984.db2.gz YMDYSIMEDHTAJK-SECBINFHSA-N 2 0 199.298 -0.064 20 0 ABADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH3+] 224048910 344466025 /nfs/dbraw/zinc/46/60/25/344466025.db2.gz RYZFLLFPVSIAJP-MRVPVSSYSA-N 2 0 199.298 -0.066 20 0 ABADRP C[C@@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 224229018 344467552 /nfs/dbraw/zinc/46/75/52/344467552.db2.gz HFSZRXZSEZVQFC-SFYZADRCSA-N 2 0 158.245 -0.352 20 0 ABADRP C[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 224229073 344467638 /nfs/dbraw/zinc/46/76/38/344467638.db2.gz HFSZRXZSEZVQFC-YUMQZZPRSA-N 2 0 158.245 -0.352 20 0 ABADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 224603365 344470842 /nfs/dbraw/zinc/47/08/42/344470842.db2.gz WMHATPODWRKRPL-BDAKNGLRSA-N 2 0 197.282 -0.393 20 0 ABADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 224603417 344470991 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/nfs/dbraw/zinc/74/58/98/344745898.db2.gz BMEWKWAZKROFAO-ZCFIWIBFSA-N 2 0 164.212 -0.027 20 0 ABADRP C[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 235569477 344755746 /nfs/dbraw/zinc/75/57/46/344755746.db2.gz NJGBWECZJFRKLA-CIUDSAMLSA-N 2 0 170.256 -0.482 20 0 ABADRP C[C@H]1C[C@@H](NC(=O)C[NH+](C)C)CC[NH2+]1 235586361 344757471 /nfs/dbraw/zinc/75/74/71/344757471.db2.gz UKWUGCIKRRMHSJ-IUCAKERBSA-N 2 0 199.298 -0.195 20 0 ABADRP C[C@H]1C[C@H](NC(=O)C[NH+](C)C)CC[NH2+]1 235606516 344759196 /nfs/dbraw/zinc/75/91/96/344759196.db2.gz UKWUGCIKRRMHSJ-DTWKUNHWSA-N 2 0 199.298 -0.195 20 0 ABADRP C[C@H]1CN2C(C[NH3+])=CC=NC2=[NH+]1 235720899 344764611 /nfs/dbraw/zinc/76/46/11/344764611.db2.gz BMEWKWAZKROFAO-LURJTMIESA-N 2 0 164.212 -0.027 20 0 ABADRP [NH3+]CC1=CC=NC2=[NH+]CCN12 236169448 344776373 /nfs/dbraw/zinc/77/63/73/344776373.db2.gz VAHABDVKNBFYDP-UHFFFAOYSA-N 2 0 150.185 -0.415 20 0 ABADRP NC1=[NH+]CC[C@H]([C@@H]2CCC[NH2+]C2)N1 236271447 344779201 /nfs/dbraw/zinc/77/92/01/344779201.db2.gz 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/nfs/dbraw/zinc/32/87/51/345328751.db2.gz LTJGCKQWACBWCQ-UHFFFAOYSA-N 2 0 185.271 -0.407 20 0 ABADRP C[C@@H]1CCCN(C(=O)C[NH3+])[C@H]1C[NH3+] 306469199 345331707 /nfs/dbraw/zinc/33/17/07/345331707.db2.gz PATYWLLXIBAMFO-SFYZADRCSA-N 2 0 185.271 -0.469 20 0 ABADRP C[C@H]1CCCN(C(=O)C[NH3+])[C@H]1C[NH3+] 306469200 345331713 /nfs/dbraw/zinc/33/17/13/345331713.db2.gz PATYWLLXIBAMFO-YUMQZZPRSA-N 2 0 185.271 -0.469 20 0 ABADRP C[C@@H]1CCCN(C(=O)C[NH3+])[C@@H]1C[NH3+] 306469196 345331857 /nfs/dbraw/zinc/33/18/57/345331857.db2.gz PATYWLLXIBAMFO-HTQZYQBOSA-N 2 0 185.271 -0.469 20 0 ABADRP C[C@H]1CCCN(C(=O)C[NH3+])[C@@H]1C[NH3+] 306469197 345331920 /nfs/dbraw/zinc/33/19/20/345331920.db2.gz PATYWLLXIBAMFO-JGVFFNPUSA-N 2 0 185.271 -0.469 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 306469671 345332431 /nfs/dbraw/zinc/33/24/31/345332431.db2.gz PRNDCXUUTOILRG-HTQZYQBOSA-N 2 0 185.271 -0.408 20 0 ABADRP C[C@H]([NH3+])CC(=O)N1CCC([NH3+])CC1 306472067 345335653 /nfs/dbraw/zinc/33/56/53/345335653.db2.gz SNFJBKODCHXGSF-ZETCQYMHSA-N 2 0 185.271 -0.327 20 0 ABADRP C[C@@H]([NH3+])CC(=O)N1CCC([NH3+])CC1 306472064 345335705 /nfs/dbraw/zinc/33/57/05/345335705.db2.gz SNFJBKODCHXGSF-SSDOTTSWSA-N 2 0 185.271 -0.327 20 0 ABADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CCC[NH2+]CC1 306474317 345338884 /nfs/dbraw/zinc/33/88/84/345338884.db2.gz WBDPQTWCIOFQGA-BDAKNGLRSA-N 2 0 199.298 -0.018 20 0 ABADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CCC[NH2+]CC1 306474318 345338912 /nfs/dbraw/zinc/33/89/12/345338912.db2.gz WBDPQTWCIOFQGA-DTWKUNHWSA-N 2 0 199.298 -0.018 20 0 ABADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[NH2+]CC1 306474320 345338917 /nfs/dbraw/zinc/33/89/17/345338917.db2.gz WBDPQTWCIOFQGA-RKDXNWHRSA-N 2 0 199.298 -0.018 20 0 ABADRP C[C@H]([NH3+])CC(=O)N[C@H]1CCC[NH2+]CC1 306474319 345338949 /nfs/dbraw/zinc/33/89/49/345338949.db2.gz WBDPQTWCIOFQGA-IUCAKERBSA-N 2 0 199.298 -0.018 20 0 ABADRP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[NH2+]C1 306475119 345339952 /nfs/dbraw/zinc/33/99/52/345339952.db2.gz WQUPQIYAXSZOFL-SSDOTTSWSA-N 2 0 185.271 -0.551 20 0 ABADRP CC(C)(C[NH3+])C(=O)N[C@H]1CC[NH2+]C1 306475120 345340005 /nfs/dbraw/zinc/34/00/05/345340005.db2.gz WQUPQIYAXSZOFL-ZETCQYMHSA-N 2 0 185.271 -0.551 20 0 ABADRP C[C@@](O)(CC[NH3+])C1C[NH2+]C1 306476301 345342088 /nfs/dbraw/zinc/34/20/88/345342088.db2.gz VHWVNEBDWBAOQN-SSDOTTSWSA-N 2 0 144.218 -0.694 20 0 ABADRP C[C@](O)(CC[NH3+])C1C[NH2+]C1 306476303 345342414 /nfs/dbraw/zinc/34/24/14/345342414.db2.gz VHWVNEBDWBAOQN-ZETCQYMHSA-N 2 0 144.218 -0.694 20 0 ABADRP C[C@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 306488602 345359622 /nfs/dbraw/zinc/35/96/22/345359622.db2.gz KYBZYYAAVHOFFE-WCBMZHEXSA-N 2 0 199.298 -0.161 20 0 ABADRP C[C@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 306488603 345359639 /nfs/dbraw/zinc/35/96/39/345359639.db2.gz KYBZYYAAVHOFFE-WPRPVWTQSA-N 2 0 199.298 -0.161 20 0 ABADRP C[C@@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 306488600 345359653 /nfs/dbraw/zinc/35/96/53/345359653.db2.gz KYBZYYAAVHOFFE-PSASIEDQSA-N 2 0 199.298 -0.161 20 0 ABADRP C[C@@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 306488601 345359682 /nfs/dbraw/zinc/35/96/82/345359682.db2.gz KYBZYYAAVHOFFE-SCZZXKLOSA-N 2 0 199.298 -0.161 20 0 ABADRP C[N@@H+]1CC[C@@H]2CN(CC[NH3+])C[C@@H]2C1 306492900 345366077 /nfs/dbraw/zinc/36/60/77/345366077.db2.gz QVCGAQWLNQADNS-ZJUUUORDSA-N 2 0 183.299 -0.171 20 0 ABADRP C[C@H](C[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]C1 306499988 345374062 /nfs/dbraw/zinc/37/40/62/345374062.db2.gz XECBEEJLPVOMQK-SCZZXKLOSA-N 2 0 199.298 -0.161 20 0 ABADRP C[C@H](C[NH3+])NC(=O)[C@]1(C)CCC[NH2+]C1 306499980 345374218 /nfs/dbraw/zinc/37/42/18/345374218.db2.gz XECBEEJLPVOMQK-PSASIEDQSA-N 2 0 199.298 -0.161 20 0 ABADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)C(C)(C)C[NH3+] 306501489 345375923 /nfs/dbraw/zinc/37/59/23/345375923.db2.gz ASZWGRUZOGFAPF-JGVFFNPUSA-N 2 0 199.298 -0.081 20 0 ABADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(C)(C)C[NH3+] 306501497 345376047 /nfs/dbraw/zinc/37/60/47/345376047.db2.gz ASZWGRUZOGFAPF-YUMQZZPRSA-N 2 0 199.298 -0.081 20 0 ABADRP C[C@H]([NH3+])CN1CC[C@@H](C[NH3+])C1 306525639 345397758 /nfs/dbraw/zinc/39/77/58/345397758.db2.gz QQMNGGPWSJZVAL-YUMQZZPRSA-N 3 0 157.261 -0.386 20 0 ABADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)C(C)(C)[NH3+] 306509863 345382221 /nfs/dbraw/zinc/38/22/21/345382221.db2.gz JZIGNHCVBMFLOX-NKWVEPMBSA-N 2 0 185.271 -0.328 20 0 ABADRP [NH3+]C1CC([NH2+][C@@H]2CCC[C@H]2O)C1 306510070 345382247 /nfs/dbraw/zinc/38/22/47/345382247.db2.gz CJINTNUIUVEWKB-GEPGNKONSA-N 2 0 170.256 -0.021 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH3+])C1 306509861 345382358 /nfs/dbraw/zinc/38/23/58/345382358.db2.gz JZHVXTKYXWNWJZ-JGVFFNPUSA-N 2 0 185.271 -0.327 20 0 ABADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCC[NH3+] 306510815 345382765 /nfs/dbraw/zinc/38/27/65/345382765.db2.gz LRBGJAGIUDCGQD-WCBMZHEXSA-N 2 0 199.298 -0.031 20 0 ABADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCC[NH3+] 306510813 345382865 /nfs/dbraw/zinc/38/28/65/345382865.db2.gz LRBGJAGIUDCGQD-PSASIEDQSA-N 2 0 199.298 -0.031 20 0 ABADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC[NH3+] 306510814 345382896 /nfs/dbraw/zinc/38/28/96/345382896.db2.gz LRBGJAGIUDCGQD-SCZZXKLOSA-N 2 0 199.298 -0.031 20 0 ABADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCC[NH3+] 306510816 345383047 /nfs/dbraw/zinc/38/30/47/345383047.db2.gz LRBGJAGIUDCGQD-WPRPVWTQSA-N 2 0 199.298 -0.031 20 0 ABADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 306516238 345387529 /nfs/dbraw/zinc/38/75/29/345387529.db2.gz XNSNDIGXTUWEJY-RNFRBKRXSA-N 2 0 171.244 -0.717 20 0 ABADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH3+])C1 306516240 345387565 /nfs/dbraw/zinc/38/75/65/345387565.db2.gz XNSNDIGXTUWEJY-RQJHMYQMSA-N 2 0 171.244 -0.717 20 0 ABADRP CC(C)[C@H]1CN(C(=O)C[NH3+])CC[NH2+]1 306520086 345391278 /nfs/dbraw/zinc/39/12/78/345391278.db2.gz JQRIKHDAWPJIKC-MRVPVSSYSA-N 2 0 185.271 -0.599 20 0 ABADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 306521870 345393824 /nfs/dbraw/zinc/39/38/24/345393824.db2.gz NWGVZOAYWDQZTK-UYXSQOIJSA-N 2 0 197.282 -0.696 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 306525079 345396995 /nfs/dbraw/zinc/39/69/95/345396995.db2.gz AARUVDFWOQVRRU-JGVFFNPUSA-N 2 0 185.271 -0.599 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 306525078 345396999 /nfs/dbraw/zinc/39/69/99/345396999.db2.gz AARUVDFWOQVRRU-HTQZYQBOSA-N 2 0 185.271 -0.599 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 306525081 345397097 /nfs/dbraw/zinc/39/70/97/345397097.db2.gz AARUVDFWOQVRRU-YUMQZZPRSA-N 2 0 185.271 -0.599 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 306525080 345397324 /nfs/dbraw/zinc/39/73/24/345397324.db2.gz AARUVDFWOQVRRU-SFYZADRCSA-N 2 0 185.271 -0.599 20 0 ABADRP C[C@H]([NH3+])CN1CC[C@H](C[NH3+])C1 306525637 345397672 /nfs/dbraw/zinc/39/76/72/345397672.db2.gz QQMNGGPWSJZVAL-JGVFFNPUSA-N 3 0 157.261 -0.386 20 0 ABADRP C[C@@H]([NH3+])CN1CC[C@@H](C[NH3+])C1 306525638 345397750 /nfs/dbraw/zinc/39/77/50/345397750.db2.gz QQMNGGPWSJZVAL-SFYZADRCSA-N 3 0 157.261 -0.386 20 0 ABADRP C[C@@H]([NH3+])CN1CC[C@H](C[NH3+])C1 306525636 345397783 /nfs/dbraw/zinc/39/77/83/345397783.db2.gz QQMNGGPWSJZVAL-HTQZYQBOSA-N 3 0 157.261 -0.386 20 0 ABADRP C[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 306526443 345398190 /nfs/dbraw/zinc/39/81/90/345398190.db2.gz URSHTECXLKUJCV-ZETCQYMHSA-N 2 0 185.271 -0.279 20 0 ABADRP CN(CC[NH3+])[C@@H]1CC[NH2+]C1 306526293 345398216 /nfs/dbraw/zinc/39/82/16/345398216.db2.gz UFFFCKJMPUSYMJ-SSDOTTSWSA-N 2 0 143.234 -0.761 20 0 ABADRP CN(CC[NH3+])[C@H]1CC[NH2+]C1 306526294 345398384 /nfs/dbraw/zinc/39/83/84/345398384.db2.gz UFFFCKJMPUSYMJ-ZETCQYMHSA-N 2 0 143.234 -0.761 20 0 ABADRP C[C@H](C(=O)N1CC[NH2+][C@H](C)C1)[C@@H](C)[NH3+] 306527321 345398660 /nfs/dbraw/zinc/39/86/60/345398660.db2.gz XCSMQFPITNZEHP-HRDYMLBCSA-N 2 0 199.298 -0.210 20 0 ABADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH2+][C@H](C)C1 306527323 345398728 /nfs/dbraw/zinc/39/87/28/345398728.db2.gz XCSMQFPITNZEHP-VGMNWLOBSA-N 2 0 199.298 -0.210 20 0 ABADRP C[C@@H]1CN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC[NH2+]1 306527322 345398736 /nfs/dbraw/zinc/39/87/36/345398736.db2.gz XCSMQFPITNZEHP-IWSPIJDZSA-N 2 0 199.298 -0.210 20 0 ABADRP C[C@H]([NH3+])[C@@H](C)C(=O)N1CC[NH2+][C@H](C)C1 306527320 345398956 /nfs/dbraw/zinc/39/89/56/345398956.db2.gz XCSMQFPITNZEHP-HLTSFMKQSA-N 2 0 199.298 -0.210 20 0 ABADRP C[C@H]([NH3+])CN1CCC[C@H]([NH3+])C1 306527962 345399514 /nfs/dbraw/zinc/39/95/14/345399514.db2.gz ZHJIMUXAILVGBP-YUMQZZPRSA-N 2 0 157.261 -0.243 20 0 ABADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 306529326 345400749 /nfs/dbraw/zinc/40/07/49/345400749.db2.gz FSWXLEBMUNIBGQ-RQJHMYQMSA-N 2 0 171.244 -0.798 20 0 ABADRP C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 306529324 345400855 /nfs/dbraw/zinc/40/08/55/345400855.db2.gz FSWXLEBMUNIBGQ-RNFRBKRXSA-N 2 0 171.244 -0.798 20 0 ABADRP C[C@@H]([NH3+])C(=O)NCC(C)(C)[NH3+] 306531713 345403596 /nfs/dbraw/zinc/40/35/96/345403596.db2.gz IICFYAHTGWDGSX-RXMQYKEDSA-N 2 0 159.233 -0.813 20 0 ABADRP C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 306538006 345411794 /nfs/dbraw/zinc/41/17/94/345411794.db2.gz LYLVGTQFAXEMPE-IUCAKERBSA-N 2 0 197.282 -0.441 20 0 ABADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])C1 306544104 345418045 /nfs/dbraw/zinc/41/80/45/345418045.db2.gz XOUBITBDZLDJTG-RNFRBKRXSA-N 2 0 171.244 -0.717 20 0 ABADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])C1 306544098 345418160 /nfs/dbraw/zinc/41/81/60/345418160.db2.gz XOUBITBDZLDJTG-NKWVEPMBSA-N 2 0 171.244 -0.717 20 0 ABADRP C[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]1 306550659 345426179 /nfs/dbraw/zinc/42/61/79/345426179.db2.gz ZIZRGKKBQMCDJC-DTWKUNHWSA-N 2 0 197.282 -0.584 20 0 ABADRP C[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CC[NH2+]1 306550660 345426201 /nfs/dbraw/zinc/42/62/01/345426201.db2.gz ZIZRGKKBQMCDJC-IUCAKERBSA-N 2 0 197.282 -0.584 20 0 ABADRP C[C@H]([NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 306554917 345430543 /nfs/dbraw/zinc/43/05/43/345430543.db2.gz CMJSBOFBRNGYCT-FXQIFTODSA-N 2 0 185.271 -0.471 20 0 ABADRP C[C@H]([NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 306554916 345430550 /nfs/dbraw/zinc/43/05/50/345430550.db2.gz CMJSBOFBRNGYCT-CSMHCCOUSA-N 2 0 185.271 -0.471 20 0 ABADRP C[C@H]([NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 306554918 345430753 /nfs/dbraw/zinc/43/07/53/345430753.db2.gz CMJSBOFBRNGYCT-GJMOJQLCSA-N 2 0 185.271 -0.471 20 0 ABADRP C[C@H]([NH3+])C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 306554915 345430786 /nfs/dbraw/zinc/43/07/86/345430786.db2.gz CMJSBOFBRNGYCT-BIIVOSGPSA-N 2 0 185.271 -0.471 20 0 ABADRP C[C@H]1[C@@H]([NH3+])CCN1CC[NH3+] 306567299 345444059 /nfs/dbraw/zinc/44/40/59/345444059.db2.gz BXXNOJGKBUPWOY-BQBZGAKWSA-N 2 0 143.234 -0.633 20 0 ABADRP C[C@H]1[C@H]([NH3+])CCN1CC[NH3+] 306567300 345444101 /nfs/dbraw/zinc/44/41/01/345444101.db2.gz BXXNOJGKBUPWOY-NKWVEPMBSA-N 2 0 143.234 -0.633 20 0 ABADRP C[C@H]1CN(C(=O)C[C@@H](C)[NH3+])CC[NH2+]1 306567889 345444725 /nfs/dbraw/zinc/44/47/25/345444725.db2.gz TWUWQWMCBSYNIA-SFYZADRCSA-N 2 0 185.271 -0.456 20 0 ABADRP [NH3+]CC1([C@]2(O)CCC[NH2+]C2)CC1 306578424 345455674 /nfs/dbraw/zinc/45/56/74/345455674.db2.gz VZSFAHZAYHYZJZ-VIFPVBQESA-N 2 0 170.256 -0.160 20 0 ABADRP [NH3+]CC1([C@@]2(O)CCC[NH2+]C2)CC1 306578423 345456007 /nfs/dbraw/zinc/45/60/07/345456007.db2.gz VZSFAHZAYHYZJZ-SECBINFHSA-N 2 0 170.256 -0.160 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1 306601826 345477557 /nfs/dbraw/zinc/47/75/57/345477557.db2.gz KJUVLHJYUHBXKC-YIZRAAEISA-N 2 0 197.282 -0.599 20 0 ABADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H](C)C[NH3+] 306631600 345501544 /nfs/dbraw/zinc/50/15/44/345501544.db2.gz NVKGDCDYTAHXGE-SFYZADRCSA-N 2 0 185.271 -0.599 20 0 ABADRP [NH3+]CC(=O)N[C@H]1CCC[NH2+]CC1 306638180 345505930 /nfs/dbraw/zinc/50/59/30/345505930.db2.gz BSWNNMUOHACCOX-ZETCQYMHSA-N 2 0 171.244 -0.797 20 0 ABADRP [NH3+]CC(=O)N[C@@H]1CCC[NH2+]CC1 306638176 345505980 /nfs/dbraw/zinc/50/59/80/345505980.db2.gz BSWNNMUOHACCOX-SSDOTTSWSA-N 2 0 171.244 -0.797 20 0 ABADRP C[C@H](C[NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 306648636 345516342 /nfs/dbraw/zinc/51/63/42/345516342.db2.gz DVDAWCPPSYMPAA-VGMNWLOBSA-N 2 0 199.298 -0.033 20 0 ABADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 306648634 345516458 /nfs/dbraw/zinc/51/64/58/345516458.db2.gz DVDAWCPPSYMPAA-IWSPIJDZSA-N 2 0 199.298 -0.033 20 0 ABADRP C[C@H](C[NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 306648621 345516574 /nfs/dbraw/zinc/51/65/74/345516574.db2.gz DVDAWCPPSYMPAA-HLTSFMKQSA-N 2 0 199.298 -0.033 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)[C@H]1C 306659010 345524402 /nfs/dbraw/zinc/52/44/02/345524402.db2.gz JFAOGKVTBXBATF-HLTSFMKQSA-N 2 0 199.298 -0.068 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@H]1C 306659012 345524416 /nfs/dbraw/zinc/52/44/16/345524416.db2.gz JFAOGKVTBXBATF-YIZRAAEISA-N 2 0 199.298 -0.068 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C 306659009 345524426 /nfs/dbraw/zinc/52/44/26/345524426.db2.gz JFAOGKVTBXBATF-CIUDSAMLSA-N 2 0 199.298 -0.068 20 0 ABADRP CC(C)([NH3+])CC(=O)N[C@H]1CCC[NH2+]C1 306658963 345524452 /nfs/dbraw/zinc/52/44/52/345524452.db2.gz JBZJCPQYOSRTLH-QMMMGPOBSA-N 2 0 199.298 -0.018 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)[C@@H]1C 306659011 345524635 /nfs/dbraw/zinc/52/46/35/345524635.db2.gz JFAOGKVTBXBATF-VGMNWLOBSA-N 2 0 199.298 -0.068 20 0 ABADRP CC(C)([NH3+])CC(=O)N[C@@H]1CCC[NH2+]C1 306658962 345524711 /nfs/dbraw/zinc/52/47/11/345524711.db2.gz JBZJCPQYOSRTLH-MRVPVSSYSA-N 2 0 199.298 -0.018 20 0 ABADRP CC(C)(C[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C 306669533 345531952 /nfs/dbraw/zinc/53/19/52/345531952.db2.gz LGRYZTQLJJJAFJ-SSDOTTSWSA-N 2 0 199.298 -0.162 20 0 ABADRP CC(C)(C[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C 306669534 345531962 /nfs/dbraw/zinc/53/19/62/345531962.db2.gz LGRYZTQLJJJAFJ-ZETCQYMHSA-N 2 0 199.298 -0.162 20 0 ABADRP C[C@H]1CN(C(=O)CC(C)(C)[NH3+])CC[NH2+]1 306673742 345534894 /nfs/dbraw/zinc/53/48/94/345534894.db2.gz OJESQTOLAKMPRV-QMMMGPOBSA-N 2 0 199.298 -0.066 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]CC1(C)C 306673747 345534988 /nfs/dbraw/zinc/53/49/88/345534988.db2.gz OJNHSTGGTOMAIP-QMMMGPOBSA-N 2 0 199.298 -0.208 20 0 ABADRP C[C@H](C[NH3+])C(=O)N1CC[NH2+]CC1(C)C 306673746 345535166 /nfs/dbraw/zinc/53/51/66/345535166.db2.gz OJNHSTGGTOMAIP-MRVPVSSYSA-N 2 0 199.298 -0.208 20 0 ABADRP CC[C@@H]([NH3+])C(=O)NC1(C)CC[NH2+]CC1 306674052 345535796 /nfs/dbraw/zinc/53/57/96/345535796.db2.gz PGBLXXFXQZVXHZ-MRVPVSSYSA-N 2 0 199.298 -0.018 20 0 ABADRP CC1CC([NH2+]C[C@H]2C[NH2+]C[C@H]2O)C1 306674489 345536520 /nfs/dbraw/zinc/53/65/20/345536520.db2.gz QLOHPDCVFDKHIT-QLVNRRSVSA-N 2 0 184.283 -0.045 20 0 ABADRP C[C@H]1CN(C(=O)C(C)(C)C[NH3+])CC[NH2+]1 306674987 345537139 /nfs/dbraw/zinc/53/71/39/345537139.db2.gz RREDCBXENGAAEX-QMMMGPOBSA-N 2 0 199.298 -0.208 20 0 ABADRP [NH3+]CC1([C@]2(O)CC[NH2+]C2)CC1 306675206 345537627 /nfs/dbraw/zinc/53/76/27/345537627.db2.gz SCSFFFNODUVOAD-QMMMGPOBSA-N 2 0 156.229 -0.550 20 0 ABADRP [NH3+]CC1([C@@]2(O)CC[NH2+]C2)CC1 306675205 345537714 /nfs/dbraw/zinc/53/77/14/345537714.db2.gz SCSFFFNODUVOAD-MRVPVSSYSA-N 2 0 156.229 -0.550 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 306677663 345539496 /nfs/dbraw/zinc/53/94/96/345539496.db2.gz ZLCGQKLVJFFGMG-QXFUBDJGSA-N 2 0 197.282 -0.551 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 306677664 345539692 /nfs/dbraw/zinc/53/96/92/345539692.db2.gz ZLCGQKLVJFFGMG-XKSSXDPKSA-N 2 0 197.282 -0.551 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 306677661 345539705 /nfs/dbraw/zinc/53/97/05/345539705.db2.gz ZLCGQKLVJFFGMG-NRPADANISA-N 2 0 197.282 -0.551 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 306677665 345539712 /nfs/dbraw/zinc/53/97/12/345539712.db2.gz ZLDAIVZLNJKKDU-DTWKUNHWSA-N 2 0 199.298 -0.018 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 306677662 345539752 /nfs/dbraw/zinc/53/97/52/345539752.db2.gz ZLCGQKLVJFFGMG-OYNCUSHFSA-N 2 0 197.282 -0.551 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 306677666 345540063 /nfs/dbraw/zinc/54/00/63/345540063.db2.gz ZLDAIVZLNJKKDU-RKDXNWHRSA-N 2 0 199.298 -0.018 20 0 ABADRP C[C@H]([NH3+])CNC(=O)C(C)(C)[NH3+] 306683268 345544377 /nfs/dbraw/zinc/54/43/77/345544377.db2.gz VFCNETDNLMDHMH-YFKPBYRVSA-N 2 0 159.233 -0.813 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)C(C)(C)[NH3+] 306683267 345544768 /nfs/dbraw/zinc/54/47/68/345544768.db2.gz VFCNETDNLMDHMH-RXMQYKEDSA-N 2 0 159.233 -0.813 20 0 ABADRP C[C@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 306694326 345551706 /nfs/dbraw/zinc/55/17/06/345551706.db2.gz UQVNWTINFKBBII-ZETCQYMHSA-N 2 0 185.271 -0.327 20 0 ABADRP C[C@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@@H](C)[NH2+]1 306695028 345552116 /nfs/dbraw/zinc/55/21/16/345552116.db2.gz VNNVLQZVDCDDGZ-GJMOJQLCSA-N 2 0 185.271 -0.458 20 0 ABADRP C[C@@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@@H](C)[NH2+]1 306695027 345552145 /nfs/dbraw/zinc/55/21/45/345552145.db2.gz VNNVLQZVDCDDGZ-BWZBUEFSSA-N 2 0 185.271 -0.458 20 0 ABADRP C[C@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@H](C)[NH2+]1 306695026 345552428 /nfs/dbraw/zinc/55/24/28/345552428.db2.gz VNNVLQZVDCDDGZ-BIIVOSGPSA-N 2 0 185.271 -0.458 20 0 ABADRP C[C@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 306706097 345559327 /nfs/dbraw/zinc/55/93/27/345559327.db2.gz IPGSFJXIIWRYMS-YUMQZZPRSA-N 2 0 197.282 -0.408 20 0 ABADRP C[C@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 306706094 345559558 /nfs/dbraw/zinc/55/95/58/345559558.db2.gz IPGSFJXIIWRYMS-JGVFFNPUSA-N 2 0 197.282 -0.408 20 0 ABADRP C[C@H]1[C@@H](C)[NH2+]CCN1C(=O)C[NH+](C)C 306712837 345565281 /nfs/dbraw/zinc/56/52/81/345565281.db2.gz UTIYOIWETIHSJV-BDAKNGLRSA-N 2 0 199.298 -0.243 20 0 ABADRP C[C@H]1[NH2+]CCN(C(=O)C[NH+](C)C)[C@@H]1C 306712840 345565302 /nfs/dbraw/zinc/56/53/02/345565302.db2.gz UTIYOIWETIHSJV-RKDXNWHRSA-N 2 0 199.298 -0.243 20 0 ABADRP CC(C)([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 306719377 345571039 /nfs/dbraw/zinc/57/10/39/345571039.db2.gz XUPUALIUTCUMRP-MRVPVSSYSA-N 2 0 199.298 -0.018 20 0 ABADRP CC(C)([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 306719378 345571244 /nfs/dbraw/zinc/57/12/44/345571244.db2.gz XUPUALIUTCUMRP-QMMMGPOBSA-N 2 0 199.298 -0.018 20 0 ABADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 306737830 345584784 /nfs/dbraw/zinc/58/47/84/345584784.db2.gz RREQVTKMKRQXNP-HTQZYQBOSA-N 2 0 183.255 -0.702 20 0 ABADRP C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 306752911 345592155 /nfs/dbraw/zinc/59/21/55/345592155.db2.gz LYLVGTQFAXEMPE-DTWKUNHWSA-N 2 0 197.282 -0.441 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH3+])C1 306754019 345593122 /nfs/dbraw/zinc/59/31/22/345593122.db2.gz JZHVXTKYXWNWJZ-YUMQZZPRSA-N 2 0 185.271 -0.327 20 0 ABADRP CC(C)([NH3+])C(=O)N1CC[C@H]([NH3+])C1 306763812 345599509 /nfs/dbraw/zinc/59/95/09/345599509.db2.gz GMKLQJXCMBTYCW-LURJTMIESA-N 2 0 171.244 -0.717 20 0 ABADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[NH3+])C1 306790296 345616140 /nfs/dbraw/zinc/61/61/40/345616140.db2.gz VFVSGXYWGPOBAH-NKWVEPMBSA-N 2 0 171.244 -0.859 20 0 ABADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C[NH3+])C1 306790295 345616166 /nfs/dbraw/zinc/61/61/66/345616166.db2.gz VFVSGXYWGPOBAH-BQBZGAKWSA-N 2 0 171.244 -0.859 20 0 ABADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C[NH3+])C1 306790298 345616233 /nfs/dbraw/zinc/61/62/33/345616233.db2.gz VFVSGXYWGPOBAH-RQJHMYQMSA-N 2 0 171.244 -0.859 20 0 ABADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C[NH3+])C1 306790297 345616252 /nfs/dbraw/zinc/61/62/52/345616252.db2.gz VFVSGXYWGPOBAH-RNFRBKRXSA-N 2 0 171.244 -0.859 20 0 ABADRP [NH3+]CCC(=O)N[C@@H]1CC12CC[NH2+]CC2 306806066 345626065 /nfs/dbraw/zinc/62/60/65/345626065.db2.gz IMRJFBBZVASXSA-MRVPVSSYSA-N 2 0 197.282 -0.407 20 0 ABADRP [NH3+]CCC(=O)N[C@H]1CC12CC[NH2+]CC2 306806067 345626070 /nfs/dbraw/zinc/62/60/70/345626070.db2.gz IMRJFBBZVASXSA-QMMMGPOBSA-N 2 0 197.282 -0.407 20 0 ABADRP [NH3+]CCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 306806551 345626640 /nfs/dbraw/zinc/62/66/40/345626640.db2.gz KACIKVKRSUPYEX-IUCAKERBSA-N 2 0 197.282 -0.454 20 0 ABADRP [NH3+]CCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 306806550 345626687 /nfs/dbraw/zinc/62/66/87/345626687.db2.gz KACIKVKRSUPYEX-DTWKUNHWSA-N 2 0 197.282 -0.454 20 0 ABADRP [NH3+]CCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 306806552 345626765 /nfs/dbraw/zinc/62/67/65/345626765.db2.gz KACIKVKRSUPYEX-RKDXNWHRSA-N 2 0 197.282 -0.454 20 0 ABADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC[NH3+] 306844712 345652876 /nfs/dbraw/zinc/65/28/76/345652876.db2.gz FOVLEXGZYPKGDU-YUMQZZPRSA-N 2 0 157.261 -0.325 20 0 ABADRP C[C@H]1[NH2+]CCC[C@@H]1NCC[NH3+] 306844711 345652920 /nfs/dbraw/zinc/65/29/20/345652920.db2.gz FOVLEXGZYPKGDU-SFYZADRCSA-N 2 0 157.261 -0.325 20 0 ABADRP C[C@H]1[NH2+]CCC[C@H]1NCC[NH3+] 306844709 345652938 /nfs/dbraw/zinc/65/29/38/345652938.db2.gz FOVLEXGZYPKGDU-HTQZYQBOSA-N 2 0 157.261 -0.325 20 0 ABADRP C[C@@H]1[NH2+]CCC[C@H]1NCC[NH3+] 306844710 345653022 /nfs/dbraw/zinc/65/30/22/345653022.db2.gz FOVLEXGZYPKGDU-JGVFFNPUSA-N 2 0 157.261 -0.325 20 0 ABADRP C[C@@H]1[NH2+]CCC[C@]1(O)CC[NH3+] 306848183 345655258 /nfs/dbraw/zinc/65/52/58/345655258.db2.gz KXZJXOYGRHLQBR-YUMQZZPRSA-N 2 0 158.245 -0.162 20 0 ABADRP C[C@H]1[NH2+]CCC[C@]1(O)CC[NH3+] 306848182 345655381 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171.244 -0.798 20 0 ABADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]([NH3+])C[C@H]1C 306887590 345683703 /nfs/dbraw/zinc/68/37/03/345683703.db2.gz UPCJMPMAVFUMOF-IWSPIJDZSA-N 2 0 199.298 -0.081 20 0 ABADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]([NH3+])C[C@H]1C 306887586 345683785 /nfs/dbraw/zinc/68/37/85/345683785.db2.gz UPCJMPMAVFUMOF-HLTSFMKQSA-N 2 0 199.298 -0.081 20 0 ABADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H](C)C[NH3+] 306887592 345683950 /nfs/dbraw/zinc/68/39/50/345683950.db2.gz UPCJMPMAVFUMOF-VGMNWLOBSA-N 2 0 199.298 -0.081 20 0 ABADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)[C@H](C)C[NH3+] 306887588 345684051 /nfs/dbraw/zinc/68/40/51/345684051.db2.gz UPCJMPMAVFUMOF-HRDYMLBCSA-N 2 0 199.298 -0.081 20 0 ABADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]([NH3+])C1 306889666 345686188 /nfs/dbraw/zinc/68/61/88/345686188.db2.gz XOUBITBDZLDJTG-BQBZGAKWSA-N 2 0 171.244 -0.717 20 0 ABADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H]([NH3+])C1 306889667 345686228 /nfs/dbraw/zinc/68/62/28/345686228.db2.gz XOUBITBDZLDJTG-RQJHMYQMSA-N 2 0 171.244 -0.717 20 0 ABADRP [NH3+]CCC(=O)N1CCC[C@H]([NH3+])C1 306890324 345687039 /nfs/dbraw/zinc/68/70/39/345687039.db2.gz YRLSMDJSTRNSFC-ZETCQYMHSA-N 2 0 171.244 -0.715 20 0 ABADRP [NH3+]CCC(=O)N1CCC[C@@H]([NH3+])C1 306890323 345687168 /nfs/dbraw/zinc/68/71/68/345687168.db2.gz YRLSMDJSTRNSFC-SSDOTTSWSA-N 2 0 171.244 -0.715 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C 306932146 345705446 /nfs/dbraw/zinc/70/54/46/345705446.db2.gz BYQGMFPEBVIMOJ-QMMMGPOBSA-N 2 0 199.298 -0.066 20 0 ABADRP C[C@@]1(C[NH3+])CCN(CC[NH3+])C1 306934692 345706663 /nfs/dbraw/zinc/70/66/63/345706663.db2.gz FMWMJXRHKPUONK-QMMMGPOBSA-N 2 0 157.261 -0.384 20 0 ABADRP C[C@]1(C[NH3+])CCN(CC[NH3+])C1 306934686 345706808 /nfs/dbraw/zinc/70/68/08/345706808.db2.gz FMWMJXRHKPUONK-MRVPVSSYSA-N 2 0 157.261 -0.384 20 0 ABADRP C[C@H]1C[C@@H](NC(=O)[C@@H](C)[NH3+])CC[NH2+]1 306961883 345720570 /nfs/dbraw/zinc/72/05/70/345720570.db2.gz JTRVAEXYSICJBW-RNJXMRFFSA-N 2 0 185.271 -0.410 20 0 ABADRP C[C@@H]1C[C@H](NC(=O)[C@@H](C)[NH3+])CC[NH2+]1 306961881 345720595 /nfs/dbraw/zinc/72/05/95/345720595.db2.gz JTRVAEXYSICJBW-BWZBUEFSSA-N 2 0 185.271 -0.410 20 0 ABADRP C[C@H]1C[C@H](NC(=O)[C@@H](C)[NH3+])CC[NH2+]1 306961884 345720615 /nfs/dbraw/zinc/72/06/15/345720615.db2.gz JTRVAEXYSICJBW-XLPZGREQSA-N 2 0 185.271 -0.410 20 0 ABADRP C[C@@H]1C[C@@H](NC(=O)[C@@H](C)[NH3+])CC[NH2+]1 306961882 345720644 /nfs/dbraw/zinc/72/06/44/345720644.db2.gz JTRVAEXYSICJBW-PRJMDXOYSA-N 2 0 185.271 -0.410 20 0 ABADRP C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1 306966983 345723781 /nfs/dbraw/zinc/72/37/81/345723781.db2.gz PDBSMGHRWFLELA-PRJMDXOYSA-N 2 0 183.255 -0.989 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C 306975304 345728744 /nfs/dbraw/zinc/72/87/44/345728744.db2.gz ZFYBJRGRYYCGFY-HLTSFMKQSA-N 2 0 199.298 -0.068 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@H]1C 306975307 345728756 /nfs/dbraw/zinc/72/87/56/345728756.db2.gz ZFYBJRGRYYCGFY-YIZRAAEISA-N 2 0 199.298 -0.068 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C 306975306 345729060 /nfs/dbraw/zinc/72/90/60/345729060.db2.gz ZFYBJRGRYYCGFY-VGMNWLOBSA-N 2 0 199.298 -0.068 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C 306975303 345729200 /nfs/dbraw/zinc/72/92/00/345729200.db2.gz ZFYBJRGRYYCGFY-CIUDSAMLSA-N 2 0 199.298 -0.068 20 0 ABADRP C[C@H]1CN(C(=O)[C@H](C)[NH+](C)C)CC[NH2+]1 306976442 345729639 /nfs/dbraw/zinc/72/96/39/345729639.db2.gz AIDPIIGFFZVMIU-IUCAKERBSA-N 2 0 199.298 -0.243 20 0 ABADRP C[C@H]1C[C@@H](C[NH3+])CN1CC[NH3+] 307005087 345746603 /nfs/dbraw/zinc/74/66/03/345746603.db2.gz KCFSGFKFVWNLHB-YUMQZZPRSA-N 2 0 157.261 -0.386 20 0 ABADRP C[C@H]1C[C@H](C[NH3+])CN1CC[NH3+] 307005084 345746829 /nfs/dbraw/zinc/74/68/29/345746829.db2.gz KCFSGFKFVWNLHB-JGVFFNPUSA-N 2 0 157.261 -0.386 20 0 ABADRP C[C@@H]1C[C@H](C[NH3+])CN1CC[NH3+] 307005083 345746916 /nfs/dbraw/zinc/74/69/16/345746916.db2.gz KCFSGFKFVWNLHB-HTQZYQBOSA-N 2 0 157.261 -0.386 20 0 ABADRP C[C@@H]1C[C@@H](C[NH3+])CN1CC[NH3+] 307005086 345746968 /nfs/dbraw/zinc/74/69/68/345746968.db2.gz KCFSGFKFVWNLHB-SFYZADRCSA-N 2 0 157.261 -0.386 20 0 ABADRP [NH3+]C[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 307042992 345774229 /nfs/dbraw/zinc/77/42/29/345774229.db2.gz SZYWTVQXAHRWGP-RKDXNWHRSA-N 2 0 197.282 -0.454 20 0 ABADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 307042991 345774245 /nfs/dbraw/zinc/77/42/45/345774245.db2.gz SZYWTVQXAHRWGP-DTWKUNHWSA-N 2 0 197.282 -0.454 20 0 ABADRP C[C@@]1(C[NH3+])CC[N@H+](CCO)C1 307062938 345787565 /nfs/dbraw/zinc/78/75/65/345787565.db2.gz GQLQCMYPEWFFMP-QMMMGPOBSA-N 2 0 158.245 -0.351 20 0 ABADRP C[C@]1(C[NH3+])CC[N@H+](CCO)C1 307062929 345787738 /nfs/dbraw/zinc/78/77/38/345787738.db2.gz GQLQCMYPEWFFMP-MRVPVSSYSA-N 2 0 158.245 -0.351 20 0 ABADRP CC[C@@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 307067598 345790509 /nfs/dbraw/zinc/79/05/09/345790509.db2.gz SQNZWIYWVMNRFW-LPEHRKFASA-N 2 0 184.283 -0.092 20 0 ABADRP C[NH2+]CC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C 307074637 345794443 /nfs/dbraw/zinc/79/44/43/345794443.db2.gz NFUNYOPOLGTUPM-YUMQZZPRSA-N 2 0 185.271 -0.585 20 0 ABADRP C[NH2+]CC(=O)N1CC[NH2+][C@H](C)[C@H]1C 307074631 345794526 /nfs/dbraw/zinc/79/45/26/345794526.db2.gz NFUNYOPOLGTUPM-HTQZYQBOSA-N 2 0 185.271 -0.585 20 0 ABADRP C[NH2+]CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C 307074633 345794545 /nfs/dbraw/zinc/79/45/45/345794545.db2.gz NFUNYOPOLGTUPM-JGVFFNPUSA-N 2 0 185.271 -0.585 20 0 ABADRP CN(CC(C)(C)[NH3+])C1C[NH2+]C1 307079624 345797844 /nfs/dbraw/zinc/79/78/44/345797844.db2.gz RHOHRADHFAQWPB-UHFFFAOYSA-N 2 0 157.261 -0.373 20 0 ABADRP CC1(C(=O)N2CCC[NH2+]CC2)C[NH2+]C1 307089005 345803430 /nfs/dbraw/zinc/80/34/30/345803430.db2.gz NTJIGIKHGIBKKI-UHFFFAOYSA-N 2 0 197.282 -0.582 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 307101239 345810133 /nfs/dbraw/zinc/81/01/33/345810133.db2.gz UNZLKYZLYSNTLH-HLTSFMKQSA-N 2 0 199.298 -0.068 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@H](C)C1 307101240 345810330 /nfs/dbraw/zinc/81/03/30/345810330.db2.gz UNZLKYZLYSNTLH-YIZRAAEISA-N 2 0 199.298 -0.068 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 307101238 345810427 /nfs/dbraw/zinc/81/04/27/345810427.db2.gz UNZLKYZLYSNTLH-CIUDSAMLSA-N 2 0 199.298 -0.068 20 0 ABADRP C[C@H]1CC[C@@](O)(CC[NH3+])C[NH2+]1 307114279 345817386 /nfs/dbraw/zinc/81/73/86/345817386.db2.gz BMVTUIANICYZNW-JGVFFNPUSA-N 2 0 158.245 -0.162 20 0 ABADRP C[C@H]1CC[C@](O)(CC[NH3+])C[NH2+]1 307114281 345817437 /nfs/dbraw/zinc/81/74/37/345817437.db2.gz BMVTUIANICYZNW-YUMQZZPRSA-N 2 0 158.245 -0.162 20 0 ABADRP C[C@@H]1CC[C@](O)(CC[NH3+])C[NH2+]1 307114280 345817512 /nfs/dbraw/zinc/81/75/12/345817512.db2.gz BMVTUIANICYZNW-SFYZADRCSA-N 2 0 158.245 -0.162 20 0 ABADRP C[C@@H]1CC[C@@](O)(CC[NH3+])C[NH2+]1 307114278 345817514 /nfs/dbraw/zinc/81/75/14/345817514.db2.gz BMVTUIANICYZNW-HTQZYQBOSA-N 2 0 158.245 -0.162 20 0 ABADRP C[C@@H]([NH3+])C(=O)NC(C)(C)C[NH3+] 307127224 345824620 /nfs/dbraw/zinc/82/46/20/345824620.db2.gz 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ABADRP CC1(C(=O)N2CC[NH2+]CC2)C[NH2+]C1 307548095 346105772 /nfs/dbraw/zinc/10/57/72/346105772.db2.gz UKEDFNCPILPPFS-UHFFFAOYSA-N 2 0 183.255 -0.972 20 0 ABADRP [NH3+][C@H]1CCCN(C(=O)C2([NH3+])CC2)C1 307555064 346109859 /nfs/dbraw/zinc/10/98/59/346109859.db2.gz SQOQEFLVRINLJH-ZETCQYMHSA-N 2 0 183.255 -0.573 20 0 ABADRP [NH3+][C@@H]1CCCN(C(=O)C2([NH3+])CC2)C1 307555063 346109877 /nfs/dbraw/zinc/10/98/77/346109877.db2.gz SQOQEFLVRINLJH-SSDOTTSWSA-N 2 0 183.255 -0.573 20 0 ABADRP CNC(=[NH2+])NCC1=CC[N@H+](C)CC1 307561955 346113798 /nfs/dbraw/zinc/11/37/98/346113798.db2.gz JWBOBJBJGSLMKA-UHFFFAOYSA-N 2 0 182.271 -0.008 20 0 ABADRP C[C@H](C[NH3+])NC(=O)C(C)(C)[NH3+] 307567174 346117704 /nfs/dbraw/zinc/11/77/04/346117704.db2.gz PUILVMKEMLHGPQ-RXMQYKEDSA-N 2 0 159.233 -0.813 20 0 ABADRP C[N@H+]1CC=C(CNC(N)=[NH2+])CC1 307568219 346117918 /nfs/dbraw/zinc/11/79/18/346117918.db2.gz SOYNEQIBHVLVEY-UHFFFAOYSA-N 2 0 168.244 -0.269 20 0 ABADRP O=C([C@H]1CC[NH2+]1)N1C[C@@H]2C[NH2+]C[C@@H]2C1 307569669 346119227 /nfs/dbraw/zinc/11/92/27/346119227.db2.gz XQDZCFIFKGNHJZ-HRDYMLBCSA-N 2 0 195.266 -0.974 20 0 ABADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 307591837 346133915 /nfs/dbraw/zinc/13/39/15/346133915.db2.gz CRHWHADBVLQZGE-HTQZYQBOSA-N 2 0 185.271 -0.551 20 0 ABADRP C[C@H]1CN(C(=O)[C@@H](C)[NH3+])[C@@H](C)C[NH2+]1 307607629 346143338 /nfs/dbraw/zinc/14/33/38/346143338.db2.gz BYCSLNZGQNTBKI-BIIVOSGPSA-N 2 0 185.271 -0.458 20 0 ABADRP C[C@H]1CN(C(=O)[C@@H](C)[NH3+])[C@H](C)C[NH2+]1 307607630 346143687 /nfs/dbraw/zinc/14/36/87/346143687.db2.gz BYCSLNZGQNTBKI-XLPZGREQSA-N 2 0 185.271 -0.458 20 0 ABADRP [NH3+]C1CCN(C(=O)C2([NH3+])CC2)CC1 307613662 346147385 /nfs/dbraw/zinc/14/73/85/346147385.db2.gz KBMYLXBBOZGLSW-UHFFFAOYSA-N 2 0 183.255 -0.573 20 0 ABADRP CC1([NH3+])CCN(CC[NH3+])CC1 307615331 346148563 /nfs/dbraw/zinc/14/85/63/346148563.db2.gz OMACJGMJURGSTP-UHFFFAOYSA-N 2 0 157.261 -0.242 20 0 ABADRP O=C(NCC1=CC[NH2+]CC1)[C@H]1CC[NH2+]1 307624885 346154896 /nfs/dbraw/zinc/15/48/96/346154896.db2.gz JBFUBHUOMBFFNK-SECBINFHSA-N 2 0 195.266 -0.616 20 0 ABADRP C[NH2+]CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C 307641618 346163629 /nfs/dbraw/zinc/16/36/29/346163629.db2.gz IRHKQLPNQXMFNS-HTQZYQBOSA-N 2 0 185.271 -0.585 20 0 ABADRP C[NH2+]CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C 307641620 346163660 /nfs/dbraw/zinc/16/36/60/346163660.db2.gz IRHKQLPNQXMFNS-SFYZADRCSA-N 2 0 185.271 -0.585 20 0 ABADRP C[NH2+]CC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C 307641621 346163772 /nfs/dbraw/zinc/16/37/72/346163772.db2.gz IRHKQLPNQXMFNS-YUMQZZPRSA-N 2 0 185.271 -0.585 20 0 ABADRP C[NH2+]CC(=O)N1C[C@H](C)[NH2+]C[C@H]1C 307641619 346163792 /nfs/dbraw/zinc/16/37/92/346163792.db2.gz IRHKQLPNQXMFNS-JGVFFNPUSA-N 2 0 185.271 -0.585 20 0 ABADRP [NH3+]CC1(C2(O)CC[NH2+]CC2)CC1 307653411 346167393 /nfs/dbraw/zinc/16/73/93/346167393.db2.gz POOSDJXFKKXRQM-UHFFFAOYSA-N 2 0 170.256 -0.160 20 0 ABADRP C[C@@](O)(CC[NH3+])[C@@H]1CC[NH2+]C1 307673427 346175756 /nfs/dbraw/zinc/17/57/56/346175756.db2.gz BHHLMAXYDLSSTC-HTQZYQBOSA-N 2 0 158.245 -0.304 20 0 ABADRP C[C@](O)(CC[NH3+])[C@@H]1CC[NH2+]C1 307673760 346175835 /nfs/dbraw/zinc/17/58/35/346175835.db2.gz BHHLMAXYDLSSTC-SFYZADRCSA-N 2 0 158.245 -0.304 20 0 ABADRP C[C@](O)(CC[NH3+])[C@H]1CC[NH2+]C1 307673761 346175880 /nfs/dbraw/zinc/17/58/80/346175880.db2.gz BHHLMAXYDLSSTC-YUMQZZPRSA-N 2 0 158.245 -0.304 20 0 ABADRP C[C@@](O)(CC[NH3+])[C@H]1CC[NH2+]C1 307673430 346176039 /nfs/dbraw/zinc/17/60/39/346176039.db2.gz BHHLMAXYDLSSTC-JGVFFNPUSA-N 2 0 158.245 -0.304 20 0 ABADRP C[C@H]([NH3+])CCNC(=O)[C@H](C)[NH3+] 307682987 346180875 /nfs/dbraw/zinc/18/08/75/346180875.db2.gz GHRNKPIZQKYULT-WDSKDSINSA-N 2 0 159.233 -0.813 20 0 ABADRP C[C@H]([NH3+])CCNC(=O)[C@@H](C)[NH3+] 307682984 346180941 /nfs/dbraw/zinc/18/09/41/346180941.db2.gz GHRNKPIZQKYULT-NTSWFWBYSA-N 2 0 159.233 -0.813 20 0 ABADRP C[C@]1(CNC(=O)C[NH3+])CCC[NH2+]C1 307683552 346181594 /nfs/dbraw/zinc/18/15/94/346181594.db2.gz HIBIHYFJMKAFMZ-VIFPVBQESA-N 2 0 185.271 -0.549 20 0 ABADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C[NH3+] 307695316 346188872 /nfs/dbraw/zinc/18/88/72/346188872.db2.gz FLSIADGNYRFNCB-MRVPVSSYSA-N 2 0 199.298 -0.161 20 0 ABADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C[NH3+] 307695317 346188947 /nfs/dbraw/zinc/18/89/47/346188947.db2.gz FLSIADGNYRFNCB-QMMMGPOBSA-N 2 0 199.298 -0.161 20 0 ABADRP CN1C[C@@H]([NH2+]C2CC([NH3+])C2)CC1=O 307699418 346191336 /nfs/dbraw/zinc/19/13/36/346191336.db2.gz OKMCJUADWTYKPK-RRQHEKLDSA-N 2 0 183.255 -0.704 20 0 ABADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[NH3+] 307709826 346196314 /nfs/dbraw/zinc/19/63/14/346196314.db2.gz NLFXFDLJUOOWMH-HTQZYQBOSA-N 2 0 199.298 -0.162 20 0 ABADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[NH3+] 307709827 346196589 /nfs/dbraw/zinc/19/65/89/346196589.db2.gz NLFXFDLJUOOWMH-JGVFFNPUSA-N 2 0 199.298 -0.162 20 0 ABADRP [NH3+]CCN1C[C@@H]2C[NH2+]C[C@@H]2C1 307712767 346198377 /nfs/dbraw/zinc/19/83/77/346198377.db2.gz YBGQAAXJAPVKPD-OCAPTIKFSA-N 2 0 155.245 -0.904 20 0 ABADRP c1ncn(CCN2CCC[NH2+]CC2)n1 307713535 346198720 /nfs/dbraw/zinc/19/87/20/346198720.db2.gz CADZZUCWOYRLEO-UHFFFAOYSA-N 2 0 195.270 -0.427 20 0 ABADRP C[C@H]1[C@@H](C)[NH2+]CCN1C(=O)CC[NH3+] 307715767 346199830 /nfs/dbraw/zinc/19/98/30/346199830.db2.gz GNPHIUHYWRQTQU-SFYZADRCSA-N 2 0 185.271 -0.456 20 0 ABADRP C[C@H]1[NH2+]CCN(C(=O)CC[NH3+])[C@@H]1C 307715765 346199887 /nfs/dbraw/zinc/19/98/87/346199887.db2.gz GNPHIUHYWRQTQU-HTQZYQBOSA-N 2 0 185.271 -0.456 20 0 ABADRP C[C@H]([NH3+])[C@H]1CCN(CC[NH3+])C1 307745562 346215891 /nfs/dbraw/zinc/21/58/91/346215891.db2.gz SHQAYDDHQNLAPO-YUMQZZPRSA-N 3 0 157.261 -0.386 20 0 ABADRP C[C@@H]([NH3+])[C@H]1CCN(CC[NH3+])C1 307745561 346215919 /nfs/dbraw/zinc/21/59/19/346215919.db2.gz SHQAYDDHQNLAPO-SFYZADRCSA-N 3 0 157.261 -0.386 20 0 ABADRP C[C@@H]([NH3+])[C@@H]1CCN(CC[NH3+])C1 307745559 346215934 /nfs/dbraw/zinc/21/59/34/346215934.db2.gz SHQAYDDHQNLAPO-HTQZYQBOSA-N 3 0 157.261 -0.386 20 0 ABADRP C[C@H]([NH3+])[C@@H]1CCN(CC[NH3+])C1 307745560 346216007 /nfs/dbraw/zinc/21/60/07/346216007.db2.gz SHQAYDDHQNLAPO-JGVFFNPUSA-N 3 0 157.261 -0.386 20 0 ABADRP C[C@H]1C[NH2+][C@H](C)CN1C(=O)CC[NH3+] 307748596 346218384 /nfs/dbraw/zinc/21/83/84/346218384.db2.gz CJBABSKZARWACT-SFYZADRCSA-N 2 0 185.271 -0.456 20 0 ABADRP C[C@H]1CN(C(=O)CC[NH3+])[C@@H](C)C[NH2+]1 307748597 346218444 /nfs/dbraw/zinc/21/84/44/346218444.db2.gz CJBABSKZARWACT-YUMQZZPRSA-N 2 0 185.271 -0.456 20 0 ABADRP C[C@H]1CN(C(=O)CC[NH3+])[C@H](C)C[NH2+]1 307748595 346218447 /nfs/dbraw/zinc/21/84/47/346218447.db2.gz CJBABSKZARWACT-JGVFFNPUSA-N 2 0 185.271 -0.456 20 0 ABADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]([NH3+])C1 307749315 346219015 /nfs/dbraw/zinc/21/90/15/346219015.db2.gz GDXOQRBDVWGTRE-JGVFFNPUSA-N 2 0 185.271 -0.327 20 0 ABADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([NH3+])C1 307749314 346219024 /nfs/dbraw/zinc/21/90/24/346219024.db2.gz GDXOQRBDVWGTRE-HTQZYQBOSA-N 2 0 185.271 -0.327 20 0 ABADRP C[C@H]1COCCN(CC[NH3+])C1 307751071 346219977 /nfs/dbraw/zinc/21/99/77/346219977.db2.gz MHTQKSQCIWERCF-MRVPVSSYSA-N 2 0 158.245 -0.087 20 0 ABADRP C[C@@H]1COCCN(CC[NH3+])C1 307751072 346220173 /nfs/dbraw/zinc/22/01/73/346220173.db2.gz MHTQKSQCIWERCF-QMMMGPOBSA-N 2 0 158.245 -0.087 20 0 ABADRP CC1(C)C[NH2+]CCN1C(=O)C[NH3+] 307758609 346225828 /nfs/dbraw/zinc/22/58/28/346225828.db2.gz PDWZEXTXKDJOEL-UHFFFAOYSA-N 2 0 171.244 -0.845 20 0 ABADRP C[NH2+]CCC(=O)NCC[C@H](C)[NH3+] 308180634 346267024 /nfs/dbraw/zinc/26/70/24/346267024.db2.gz FXWILGKOVMWFOT-ZETCQYMHSA-N 2 0 173.260 -0.551 20 0 ABADRP C[NH+](C)[C@H](CNC(N)=[NH2+])C1CC1 308331889 346290361 /nfs/dbraw/zinc/29/03/61/346290361.db2.gz LEHSXACGMNEJPS-SSDOTTSWSA-N 2 0 170.260 -0.190 20 0 ABADRP C[NH+](C)[C@@H](CNC(N)=[NH2+])C1CC1 308331893 346290399 /nfs/dbraw/zinc/29/03/99/346290399.db2.gz LEHSXACGMNEJPS-ZETCQYMHSA-N 2 0 170.260 -0.190 20 0 ABADRP C[C@H]([NH3+])CCNC(=O)[C@H]1CC[NH2+]1 308368663 346293080 /nfs/dbraw/zinc/29/30/80/346293080.db2.gz JGRMGMBMJMKYSF-NKWVEPMBSA-N 2 0 171.244 -0.798 20 0 ABADRP C[C@H]([NH3+])CCNC(=O)C[C@@H](C)[NH3+] 308380157 346294548 /nfs/dbraw/zinc/29/45/48/346294548.db2.gz PWEIIHZMJJXEPO-NKWVEPMBSA-N 2 0 173.260 -0.423 20 0 ABADRP C[C@H]([NH3+])CCNC(=O)C[C@H](C)[NH3+] 308380154 346294793 /nfs/dbraw/zinc/29/47/93/346294793.db2.gz PWEIIHZMJJXEPO-BQBZGAKWSA-N 2 0 173.260 -0.423 20 0 ABADRP C[C@H]([NH3+])CCNC(=O)C(C)(C)[NH3+] 308381185 346295508 /nfs/dbraw/zinc/29/55/08/346295508.db2.gz QNXSSEVHEBFBOQ-LURJTMIESA-N 2 0 173.260 -0.423 20 0 ABADRP CC[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] 308403760 346298744 /nfs/dbraw/zinc/29/87/44/346298744.db2.gz KFLLNFQQQBWODL-NKWVEPMBSA-N 2 0 173.260 -0.423 20 0 ABADRP CC[C@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] 308403759 346299056 /nfs/dbraw/zinc/29/90/56/346299056.db2.gz KFLLNFQQQBWODL-BQBZGAKWSA-N 2 0 173.260 -0.423 20 0 ABADRP CN(C)C(=O)CN1CC[C@@](C)(C[NH3+])C1 308467712 346305330 /nfs/dbraw/zinc/30/53/30/346305330.db2.gz ACOFOFNQVUDAGN-JTQLQIEISA-N 2 0 199.298 -0.255 20 0 ABADRP CC(C)[C@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] 308508354 346309674 /nfs/dbraw/zinc/30/96/74/346309674.db2.gz JPVVSOKMIZDUMJ-YUMQZZPRSA-N 2 0 187.287 -0.177 20 0 ABADRP CC(C)[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] 308508350 346309923 /nfs/dbraw/zinc/30/99/23/346309923.db2.gz JPVVSOKMIZDUMJ-JGVFFNPUSA-N 2 0 187.287 -0.177 20 0 ABADRP C[C@H]1CN(C(=O)CCC[NH3+])CC[NH2+]1 308517897 346310541 /nfs/dbraw/zinc/31/05/41/346310541.db2.gz NOKZNJNETGABSG-QMMMGPOBSA-N 2 0 185.271 -0.454 20 0 ABADRP C[NH2+]CC(=O)N1CCC[C@H]([NH2+]C)C1 308550071 346312107 /nfs/dbraw/zinc/31/21/07/346312107.db2.gz VCQMGSNKBPDUPS-QMMMGPOBSA-N 2 0 185.271 -0.584 20 0 ABADRP C[NH2+]CC(=O)N1CCCC[C@@H]1C[NH3+] 308586358 346313831 /nfs/dbraw/zinc/31/38/31/346313831.db2.gz SBZQKPLAVMUPKD-MRVPVSSYSA-N 2 0 185.271 -0.454 20 0 ABADRP C[NH2+]CC(=O)N1CCCC[C@H]1C[NH3+] 308586359 346313858 /nfs/dbraw/zinc/31/38/58/346313858.db2.gz SBZQKPLAVMUPKD-QMMMGPOBSA-N 2 0 185.271 -0.454 20 0 ABADRP C[NH2+]C[C@H](C)C(=O)NCC[C@H](C)[NH3+] 308598206 346314579 /nfs/dbraw/zinc/31/45/79/346314579.db2.gz ZZIXWKRXXSJGNN-YUMQZZPRSA-N 2 0 187.287 -0.305 20 0 ABADRP C[NH2+]C[C@@H](C)C(=O)NCC[C@H](C)[NH3+] 308598204 346314587 /nfs/dbraw/zinc/31/45/87/346314587.db2.gz ZZIXWKRXXSJGNN-SFYZADRCSA-N 2 0 187.287 -0.305 20 0 ABADRP C[C@H]([NH3+])CCNC(=O)[C@@H](C)[C@H](C)[NH3+] 308646185 346316616 /nfs/dbraw/zinc/31/66/16/346316616.db2.gz HSXNVMDPDYJJAC-FXQIFTODSA-N 2 0 187.287 -0.177 20 0 ABADRP C[C@H]([NH3+])CCNC(=O)[C@H](C)[C@@H](C)[NH3+] 308646187 346316826 /nfs/dbraw/zinc/31/68/26/346316826.db2.gz HSXNVMDPDYJJAC-XLPZGREQSA-N 2 0 187.287 -0.177 20 0 ABADRP C[C@H]([NH3+])CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] 308646184 346316858 /nfs/dbraw/zinc/31/68/58/346316858.db2.gz HSXNVMDPDYJJAC-BIIVOSGPSA-N 2 0 187.287 -0.177 20 0 ABADRP C[C@H]([NH3+])CCNC(=O)[C@H](C)[C@H](C)[NH3+] 308646186 346316861 /nfs/dbraw/zinc/31/68/61/346316861.db2.gz HSXNVMDPDYJJAC-RNJXMRFFSA-N 2 0 187.287 -0.177 20 0 ABADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CCC[NH2+]1 308677897 346317775 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CN(C(=O)CC[NH3+])C1CC([NH3+])C1 335346235 346391268 /nfs/dbraw/zinc/39/12/68/346391268.db2.gz PAJVTVLEQFSQDG-UHFFFAOYSA-N 2 0 171.244 -0.717 20 0 ABADRP C[C@H]([NH3+])C(=O)N(C)C1CC([NH3+])C1 335357518 346391593 /nfs/dbraw/zinc/39/15/93/346391593.db2.gz BXQPYOCMXOHYHT-VTSJMVTISA-N 2 0 171.244 -0.718 20 0 ABADRP C[C@H](C[NH3+])C(=O)N(C)C1CC([NH3+])C1 335364374 346391832 /nfs/dbraw/zinc/39/18/32/346391832.db2.gz ZKEWDXCFKDOZGF-JECWYVHBSA-N 2 0 185.271 -0.471 20 0 ABADRP C[NH2+]CC(=O)N(C)C1CC([NH3+])C1 335360381 346391902 /nfs/dbraw/zinc/39/19/02/346391902.db2.gz ILIZBORAFLYOBM-UHFFFAOYSA-N 2 0 171.244 -0.846 20 0 ABADRP C[C@H]([NH3+])CC(=O)N(C)C1CC([NH3+])C1 335363559 346391981 /nfs/dbraw/zinc/39/19/81/346391981.db2.gz VFKSSMLXNOCHQT-KKMMWDRVSA-N 2 0 185.271 -0.328 20 0 ABADRP C[C@H]1CN(C(=O)C(C)(C)[NH3+])C[C@@H]1[NH3+] 335384938 346392591 /nfs/dbraw/zinc/39/25/91/346392591.db2.gz IONLQTAQBHIPDH-BQBZGAKWSA-N 2 0 185.271 -0.471 20 0 ABADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH3+])[C@H]2C1 335375102 346392733 /nfs/dbraw/zinc/39/27/33/346392733.db2.gz LGTUYJCBHZEGMX-BDAKNGLRSA-N 2 0 197.282 -0.502 20 0 ABADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH3+])[C@H]2C1 335375105 346392820 /nfs/dbraw/zinc/39/28/20/346392820.db2.gz LGTUYJCBHZEGMX-IUCAKERBSA-N 2 0 197.282 -0.502 20 0 ABADRP CC1(C(=O)NC2CC[NH2+]CC2)C[NH2+]C1 335379686 346392846 /nfs/dbraw/zinc/39/28/46/346392846.db2.gz JFJNJZVOSMDESJ-UHFFFAOYSA-N 2 0 197.282 -0.536 20 0 ABADRP C[C@H]1CN(C(=O)C2([NH3+])CCC2)C[C@H]1[NH3+] 335379860 346392983 /nfs/dbraw/zinc/39/29/83/346392983.db2.gz JYEKLEVNCATXJH-JGVFFNPUSA-N 2 0 197.282 -0.327 20 0 ABADRP C[C@H]1CN(C(=O)C(C)(C)[NH3+])C[C@H]1[NH3+] 335384939 346392990 /nfs/dbraw/zinc/39/29/90/346392990.db2.gz IONLQTAQBHIPDH-NKWVEPMBSA-N 2 0 185.271 -0.471 20 0 ABADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH3+])[C@@H]2C1 335375107 346393052 /nfs/dbraw/zinc/39/30/52/346393052.db2.gz LGTUYJCBHZEGMX-RKDXNWHRSA-N 2 0 197.282 -0.502 20 0 ABADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH3+])[C@@H]2C1 335375104 346393099 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[NH3+]CC1(CN[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 634996080 347435277 /nfs/dbraw/zinc/43/52/77/347435277.db2.gz YXEVYWXNNWFCLI-BRPSZJMVSA-N 2 0 181.283 -0.467 20 0 ABADRP C[C@H](C(=O)NCC[NH+](C)C)[NH+](C)C 635069348 347437728 /nfs/dbraw/zinc/43/77/28/347437728.db2.gz PKHDMISUUNUQML-MRVPVSSYSA-N 2 0 187.287 -0.386 20 0 ABADRP C[C@H](C(=O)N1CCC[C@H]([NH3+])C1)[NH+](C)C 637797017 347462099 /nfs/dbraw/zinc/46/20/99/347462099.db2.gz HNXIZUDPJCNCLM-BDAKNGLRSA-N 2 0 199.298 -0.114 20 0 ABADRP C[NH+](C)CC1(C(=O)NCC[NH3+])CC1 637797166 347462230 /nfs/dbraw/zinc/46/22/30/347462230.db2.gz LUIGTYFMGRDEIU-UHFFFAOYSA-N 2 0 185.271 -0.597 20 0 ABADRP C[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)[NH+](C)C 637797018 347462301 /nfs/dbraw/zinc/46/23/01/347462301.db2.gz HNXIZUDPJCNCLM-RKDXNWHRSA-N 2 0 199.298 -0.114 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)NC1CC[NH2+]CC1 637797102 347462319 /nfs/dbraw/zinc/46/23/19/347462319.db2.gz JOUFKEWIZCSGRE-QMMMGPOBSA-N 2 0 199.298 -0.147 20 0 ABADRP CC[NH2+][C@H](C)C(=O)NC1CC[NH2+]CC1 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/nfs/dbraw/zinc/46/26/75/347462675.db2.gz ZZXSAYJDRHYHBW-MRVPVSSYSA-N 2 0 199.298 -0.114 20 0 ABADRP C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)[NH+](C)C 637802841 347462682 /nfs/dbraw/zinc/46/26/82/347462682.db2.gz VHBHAIXRWIMZPF-HTQZYQBOSA-N 2 0 185.271 -0.504 20 0 ABADRP C[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+](C)C)C1 637803063 347462706 /nfs/dbraw/zinc/46/27/06/347462706.db2.gz XJWVPTPIEPSSJJ-BDAKNGLRSA-N 2 0 199.298 -0.243 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@@H]([NH2+]C)C1 637802128 347462732 /nfs/dbraw/zinc/46/27/32/347462732.db2.gz QOBXEXLKJCNCMN-DTWKUNHWSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N1CCC[NH2+]CC1 637803396 347462737 /nfs/dbraw/zinc/46/27/37/347462737.db2.gz GYJQIEBVOXPXMK-SECBINFHSA-N 2 0 199.298 -0.194 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CCC[NH2+]C1 637805133 347462744 /nfs/dbraw/zinc/46/27/44/347462744.db2.gz JTCMJAATUVFGNN-BDAKNGLRSA-N 2 0 199.298 -0.147 20 0 ABADRP CC(C)CC[C@H]([NH3+])C(=O)NCC[NH3+] 637797941 347462755 /nfs/dbraw/zinc/46/27/55/347462755.db2.gz SPBJYTGUGLMDAK-QMMMGPOBSA-N 2 0 187.287 -0.175 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H]([NH3+])C1 637797551 347462796 /nfs/dbraw/zinc/46/27/96/347462796.db2.gz CXVAQSBHKZKNHQ-BDAKNGLRSA-N 2 0 199.298 -0.066 20 0 ABADRP C[C@H](C(=O)N1CCC[NH2+]CC1)[NH+](C)C 637803415 347462809 /nfs/dbraw/zinc/46/28/09/347462809.db2.gz HHKZERRJYZKHDW-SECBINFHSA-N 2 0 199.298 -0.242 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)NCC[NH3+] 637798047 347462817 /nfs/dbraw/zinc/46/28/17/347462817.db2.gz URJDGSPMZUYYLU-LURJTMIESA-N 2 0 159.233 -0.941 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH3+])C1 637801193 347462830 /nfs/dbraw/zinc/46/28/30/347462830.db2.gz CRDMDZFDGKLADU-HTQZYQBOSA-N 2 0 185.271 -0.456 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N1CCC[NH2+]CC1 637803398 347462844 /nfs/dbraw/zinc/46/28/44/347462844.db2.gz GYJQIEBVOXPXMK-VIFPVBQESA-N 2 0 199.298 -0.194 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@H]([NH2+]C)C1 637802129 347462861 /nfs/dbraw/zinc/46/28/61/347462861.db2.gz QOBXEXLKJCNCMN-IUCAKERBSA-N 2 0 199.298 -0.195 20 0 ABADRP C[C@H](C(=O)NC1CC[NH2+]CC1)[NH+](C)C 637798577 347462870 /nfs/dbraw/zinc/46/28/70/347462870.db2.gz NYCGDCRVNXTLHO-MRVPVSSYSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1CCC[NH2+]C1 637805135 347462891 /nfs/dbraw/zinc/46/28/91/347462891.db2.gz JTCMJAATUVFGNN-IUCAKERBSA-N 2 0 199.298 -0.147 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 637797561 347462953 /nfs/dbraw/zinc/46/29/53/347462953.db2.gz CXVAQSBHKZKNHQ-RKDXNWHRSA-N 2 0 199.298 -0.066 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH2+]C)C1 637802127 347462957 /nfs/dbraw/zinc/46/29/57/347462957.db2.gz QOBXEXLKJCNCMN-BDAKNGLRSA-N 2 0 199.298 -0.195 20 0 ABADRP C[C@H](C(=O)NCC[NH3+])[NH+](C)C 637797279 347463020 /nfs/dbraw/zinc/46/30/20/347463020.db2.gz NXPBZQHOBLIKTN-ZCFIWIBFSA-N 2 0 159.233 -0.989 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH2+]C)C1 637802130 347463032 /nfs/dbraw/zinc/46/30/32/347463032.db2.gz QOBXEXLKJCNCMN-RKDXNWHRSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[NH2+]C1 637805136 347463038 /nfs/dbraw/zinc/46/30/38/347463038.db2.gz JTCMJAATUVFGNN-RKDXNWHRSA-N 2 0 199.298 -0.147 20 0 ABADRP CC[NH2+][C@H](C)C(=O)NCC[NH3+] 637798048 347463145 /nfs/dbraw/zinc/46/31/45/347463145.db2.gz URJDGSPMZUYYLU-ZCFIWIBFSA-N 2 0 159.233 -0.941 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@H]([NH3+])C1 637797559 347463149 /nfs/dbraw/zinc/46/31/49/347463149.db2.gz CXVAQSBHKZKNHQ-IUCAKERBSA-N 2 0 199.298 -0.066 20 0 ABADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH+](C)C 637817928 347463360 /nfs/dbraw/zinc/46/33/60/347463360.db2.gz YKSZMDLKTDGZNZ-DTWKUNHWSA-N 2 0 199.298 -0.243 20 0 ABADRP C[C@H](C(=O)N[C@H]1CC[NH2+]C1)[NH+](C)C 637812074 347463369 /nfs/dbraw/zinc/46/33/69/347463369.db2.gz PCWPAZJAKKYLAG-SFYZADRCSA-N 2 0 185.271 -0.585 20 0 ABADRP C[C@H]([NH3+])CCNC(=O)[C@@H](C)[NH+](C)C 637822824 347463387 /nfs/dbraw/zinc/46/33/87/347463387.db2.gz BMJSVSQKIKCVCC-JGVFFNPUSA-N 2 0 187.287 -0.210 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@@H]1C 637817793 347463407 /nfs/dbraw/zinc/46/34/07/347463407.db2.gz CKUPYSZYVKVPGV-DTWKUNHWSA-N 2 0 199.298 -0.195 20 0 ABADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH+](C)C 637817929 347463424 /nfs/dbraw/zinc/46/34/24/347463424.db2.gz YKSZMDLKTDGZNZ-RKDXNWHRSA-N 2 0 199.298 -0.243 20 0 ABADRP C[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[NH+](C)C 637812070 347463494 /nfs/dbraw/zinc/46/34/94/347463494.db2.gz PCWPAZJAKKYLAG-HTQZYQBOSA-N 2 0 185.271 -0.585 20 0 ABADRP C[C@H](C(=O)N[C@H]1CCC[NH2+]C1)[NH+](C)C 637806581 347463504 /nfs/dbraw/zinc/46/35/04/347463504.db2.gz YSRZMZSRJHWXFI-BDAKNGLRSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[NH2+][C@H](C)C(=O)NCCC[NH2+]C 637807019 347463548 /nfs/dbraw/zinc/46/35/48/347463548.db2.gz YLFBUKYHZCYPBN-MRVPVSSYSA-N 2 0 187.287 -0.290 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)NCCC[NH2+]C 637807020 347463568 /nfs/dbraw/zinc/46/35/68/347463568.db2.gz YLFBUKYHZCYPBN-QMMMGPOBSA-N 2 0 187.287 -0.290 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@H]([NH3+])C1 637820319 347463629 /nfs/dbraw/zinc/46/36/29/347463629.db2.gz CRDMDZFDGKLADU-YUMQZZPRSA-N 2 0 185.271 -0.456 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+]C1 637811812 347463638 /nfs/dbraw/zinc/46/36/38/347463638.db2.gz OJIGSGQDHAPOJU-HTQZYQBOSA-N 2 0 185.271 -0.538 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]C1 637811815 347463642 /nfs/dbraw/zinc/46/36/42/347463642.db2.gz OJIGSGQDHAPOJU-YUMQZZPRSA-N 2 0 185.271 -0.538 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@H]1C 637817795 347463738 /nfs/dbraw/zinc/46/37/38/347463738.db2.gz CKUPYSZYVKVPGV-RKDXNWHRSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C 637817792 347463755 /nfs/dbraw/zinc/46/37/55/347463755.db2.gz CKUPYSZYVKVPGV-BDAKNGLRSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH3+])C1 637820318 347463804 /nfs/dbraw/zinc/46/38/04/347463804.db2.gz CRDMDZFDGKLADU-SFYZADRCSA-N 2 0 185.271 -0.456 20 0 ABADRP C[C@H](C(=O)N1CC[C@H]([NH3+])C1)[NH+](C)C 637821813 347463831 /nfs/dbraw/zinc/46/38/31/347463831.db2.gz VHBHAIXRWIMZPF-SFYZADRCSA-N 2 0 185.271 -0.504 20 0 ABADRP C[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)[NH+](C)C 637806582 347463839 /nfs/dbraw/zinc/46/38/39/347463839.db2.gz YSRZMZSRJHWXFI-RKDXNWHRSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1C 637817794 347463845 /nfs/dbraw/zinc/46/38/45/347463845.db2.gz CKUPYSZYVKVPGV-IUCAKERBSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+]C1 637811814 347463864 /nfs/dbraw/zinc/46/38/64/347463864.db2.gz OJIGSGQDHAPOJU-SFYZADRCSA-N 2 0 185.271 -0.538 20 0 ABADRP C[NH2+]CCCNC(=O)[C@@H](C)[NH+](C)C 637806811 347463897 /nfs/dbraw/zinc/46/38/97/347463897.db2.gz WCTDKSZKFNPJSG-MRVPVSSYSA-N 2 0 187.287 -0.338 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+]C1 637811813 347463924 /nfs/dbraw/zinc/46/39/24/347463924.db2.gz OJIGSGQDHAPOJU-JGVFFNPUSA-N 2 0 185.271 -0.538 20 0 ABADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[NH2+]1 637828319 347464282 /nfs/dbraw/zinc/46/42/82/347464282.db2.gz YLUCMEWYZMVIJO-RKDXNWHRSA-N 2 0 199.298 -0.147 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)NCC[NH2+]C1CC1 637827597 347464297 /nfs/dbraw/zinc/46/42/97/347464297.db2.gz ISQMFXYMOVXAHH-QMMMGPOBSA-N 2 0 199.298 -0.147 20 0 ABADRP CC[NH2+]CCNC(=O)[C@H](C)[NH2+]CC 637826547 347464303 /nfs/dbraw/zinc/46/43/03/347464303.db2.gz TZZJHGCYCSGRIJ-QMMMGPOBSA-N 2 0 187.287 -0.290 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)NCC[C@H](C)[NH3+] 637825528 347464327 /nfs/dbraw/zinc/46/43/27/347464327.db2.gz WZHTZBSHEZKVQD-YUMQZZPRSA-N 2 0 187.287 -0.162 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)NCC[NH2+]C 637825363 347464333 /nfs/dbraw/zinc/46/43/33/347464333.db2.gz ZKTWAKVIQVKZHS-ZETCQYMHSA-N 2 0 173.260 -0.680 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]1 637828318 347464346 /nfs/dbraw/zinc/46/43/46/347464346.db2.gz YLUCMEWYZMVIJO-IUCAKERBSA-N 2 0 199.298 -0.147 20 0 ABADRP CC[NH2+]CCNC(=O)[C@@H](C)[NH+](C)C 637826293 347464358 /nfs/dbraw/zinc/46/43/58/347464358.db2.gz PBSHTWOTDGDAON-MRVPVSSYSA-N 2 0 187.287 -0.338 20 0 ABADRP CC[NH2+][C@H](C)C(=O)NCC[C@H](C)[NH3+] 637825525 347464367 /nfs/dbraw/zinc/46/43/67/347464367.db2.gz WZHTZBSHEZKVQD-JGVFFNPUSA-N 2 0 187.287 -0.162 20 0 ABADRP C[NH2+]CCNC(=O)[C@@H](C)[NH+](C)C 637825160 347464395 /nfs/dbraw/zinc/46/43/95/347464395.db2.gz WVBNCNSQHQRSTB-SSDOTTSWSA-N 2 0 173.260 -0.728 20 0 ABADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[NH2+]1 637828311 347464409 /nfs/dbraw/zinc/46/44/09/347464409.db2.gz YLUCMEWYZMVIJO-BDAKNGLRSA-N 2 0 199.298 -0.147 20 0 ABADRP C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 637826224 347464413 /nfs/dbraw/zinc/46/44/13/347464413.db2.gz MONAXDNTHCOGBP-UHFFFAOYSA-N 2 0 199.298 -0.336 20 0 ABADRP CC[NH2+][C@H](C)C(=O)NCC[NH2+]C1CC1 637827596 347464428 /nfs/dbraw/zinc/46/44/28/347464428.db2.gz ISQMFXYMOVXAHH-MRVPVSSYSA-N 2 0 199.298 -0.147 20 0 ABADRP CC[NH2+]CCNC(=O)[C@@H](C)[NH2+]CC 637826546 347464433 /nfs/dbraw/zinc/46/44/33/347464433.db2.gz TZZJHGCYCSGRIJ-MRVPVSSYSA-N 2 0 187.287 -0.290 20 0 ABADRP C[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)[NH+](C)C 637826995 347464445 /nfs/dbraw/zinc/46/44/45/347464445.db2.gz LOZOKZSNMOLOJT-BDAKNGLRSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[NH2+][C@H](C)C(=O)NCC[NH2+]C 637825362 347464455 /nfs/dbraw/zinc/46/44/55/347464455.db2.gz ZKTWAKVIQVKZHS-SSDOTTSWSA-N 2 0 173.260 -0.680 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[NH2+]1 637828312 347464462 /nfs/dbraw/zinc/46/44/62/347464462.db2.gz YLUCMEWYZMVIJO-DTWKUNHWSA-N 2 0 199.298 -0.147 20 0 ABADRP C[C@H](C(=O)NC[C@H]1CCC[NH2+]1)[NH+](C)C 637826996 347464474 /nfs/dbraw/zinc/46/44/74/347464474.db2.gz LOZOKZSNMOLOJT-RKDXNWHRSA-N 2 0 199.298 -0.195 20 0 ABADRP C[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)[NH+](C)C 637823985 347464486 /nfs/dbraw/zinc/46/44/86/347464486.db2.gz WESNMHZSVICDBD-BDAKNGLRSA-N 2 0 199.298 -0.256 20 0 ABADRP C[C@H](C(=O)NCC[NH2+]C1CC1)[NH+](C)C 637828506 347464537 /nfs/dbraw/zinc/46/45/37/347464537.db2.gz PXAZNUDOZZVRLE-MRVPVSSYSA-N 2 0 199.298 -0.195 20 0 ABADRP C[C@H](C(=O)N1CC[C@H](C[NH3+])C1)[NH+](C)C 637823987 347464552 /nfs/dbraw/zinc/46/45/52/347464552.db2.gz WESNMHZSVICDBD-RKDXNWHRSA-N 2 0 199.298 -0.256 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[NH2+]C1 637836395 347465072 /nfs/dbraw/zinc/46/50/72/347465072.db2.gz OTXKWHYLJFKTGX-BDAKNGLRSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[NH2+]C1 637836398 347465088 /nfs/dbraw/zinc/46/50/88/347465088.db2.gz OTXKWHYLJFKTGX-IUCAKERBSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[NH2+]C1 637836396 347465171 /nfs/dbraw/zinc/46/51/71/347465171.db2.gz OTXKWHYLJFKTGX-DTWKUNHWSA-N 2 0 199.298 -0.195 20 0 ABADRP C[C@H](C(=O)NC(C)(C)C[NH3+])[NH+](C)C 637830796 347465179 /nfs/dbraw/zinc/46/51/79/347465179.db2.gz GFYQWZKAYRPOQO-SSDOTTSWSA-N 2 0 187.287 -0.210 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)NC(C)(C)C[NH3+] 637830744 347465233 /nfs/dbraw/zinc/46/52/33/347465233.db2.gz DPOHLBLREOKNNI-ZETCQYMHSA-N 2 0 187.287 -0.162 20 0 ABADRP CC[NH2+][C@H](C)C(=O)NC(C)(C)C[NH3+] 637830743 347465251 /nfs/dbraw/zinc/46/52/51/347465251.db2.gz DPOHLBLREOKNNI-SSDOTTSWSA-N 2 0 187.287 -0.162 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[NH2+]C1 637836399 347465277 /nfs/dbraw/zinc/46/52/77/347465277.db2.gz OTXKWHYLJFKTGX-RKDXNWHRSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N1CC[NH2+][C@@H](C)C1 637842714 347465671 /nfs/dbraw/zinc/46/56/71/347465671.db2.gz WNAVGBHPFOGFRP-IUCAKERBSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N(C)[C@@H](C)C[NH3+] 637843083 347465704 /nfs/dbraw/zinc/46/57/04/347465704.db2.gz UVSXRKQMRRVDBZ-YUMQZZPRSA-N 2 0 187.287 -0.210 20 0 ABADRP C[C@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[NH+](C)C 637837848 347465763 /nfs/dbraw/zinc/46/57/63/347465763.db2.gz MRBAEXVQGSNJFZ-RKDXNWHRSA-N 2 0 199.298 -0.243 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N(C)[C@@H](C)C[NH3+] 637843081 347465785 /nfs/dbraw/zinc/46/57/85/347465785.db2.gz UVSXRKQMRRVDBZ-JGVFFNPUSA-N 2 0 187.287 -0.210 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N(C)[C@H](C)C[NH3+] 637843082 347465860 /nfs/dbraw/zinc/46/58/60/347465860.db2.gz UVSXRKQMRRVDBZ-SFYZADRCSA-N 2 0 187.287 -0.210 20 0 ABADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H](C)[NH+](C)C 637843346 347465870 /nfs/dbraw/zinc/46/58/70/347465870.db2.gz DEAXXUTWCBMRBF-HTQZYQBOSA-N 2 0 187.287 -0.258 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N1CC[NH2+][C@@H](C)C1 637842713 347465898 /nfs/dbraw/zinc/46/58/98/347465898.db2.gz WNAVGBHPFOGFRP-DTWKUNHWSA-N 2 0 199.298 -0.195 20 0 ABADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H](C)[NH+](C)C 637843347 347465971 /nfs/dbraw/zinc/46/59/71/347465971.db2.gz DEAXXUTWCBMRBF-JGVFFNPUSA-N 2 0 187.287 -0.258 20 0 ABADRP C[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CC[NH2+]1 637839169 347465997 /nfs/dbraw/zinc/46/59/97/347465997.db2.gz AIDPIIGFFZVMIU-RKDXNWHRSA-N 2 0 199.298 -0.243 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N1CC[NH2+][C@H](C)C1 637842715 347466058 /nfs/dbraw/zinc/46/60/58/347466058.db2.gz WNAVGBHPFOGFRP-RKDXNWHRSA-N 2 0 199.298 -0.195 20 0 ABADRP C[C@H](C(=O)N(C)[C@H]1CC[NH2+]C1)[NH+](C)C 637837847 347466116 /nfs/dbraw/zinc/46/61/16/347466116.db2.gz MRBAEXVQGSNJFZ-BDAKNGLRSA-N 2 0 199.298 -0.243 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N1CC[NH2+][C@H](C)C1 637842712 347466244 /nfs/dbraw/zinc/46/62/44/347466244.db2.gz WNAVGBHPFOGFRP-BDAKNGLRSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N(C)CCC[NH3+] 637852077 347466482 /nfs/dbraw/zinc/46/64/82/347466482.db2.gz BEZAATZIPVUKJI-MRVPVSSYSA-N 2 0 187.287 -0.208 20 0 ABADRP C[C@H](C(=O)N[C@H](C[NH3+])C1CC1)[NH+](C)C 637855299 347466526 /nfs/dbraw/zinc/46/65/26/347466526.db2.gz OMQLAMPEHRAZFV-VXNVDRBHSA-N 2 0 199.298 -0.210 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)NCC(C)(C)[NH3+] 637858326 347466536 /nfs/dbraw/zinc/46/65/36/347466536.db2.gz ZKYBAKRANHQGIX-ZETCQYMHSA-N 2 0 187.287 -0.162 20 0 ABADRP C[C@H](C(=O)N(C)CCC[NH3+])[NH+](C)C 637854890 347466541 /nfs/dbraw/zinc/46/65/41/347466541.db2.gz NECXLYDMEACPQU-MRVPVSSYSA-N 2 0 187.287 -0.256 20 0 ABADRP C[C@H](C(=O)NCC(C)(C)[NH3+])[NH+](C)C 637857926 347466551 /nfs/dbraw/zinc/46/65/51/347466551.db2.gz SAKPXYMODCWLRR-SSDOTTSWSA-N 2 0 187.287 -0.210 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N[C@H](C[NH3+])C1CC1 637854951 347466571 /nfs/dbraw/zinc/46/65/71/347466571.db2.gz OOQKCMRDPLGJJG-VXNVDRBHSA-N 2 0 199.298 -0.162 20 0 ABADRP C[C@H](C(=O)N1CCC[C@@H]1C[NH3+])[NH+](C)C 637858960 347466621 /nfs/dbraw/zinc/46/66/21/347466621.db2.gz FRWAERKKQQCBST-RKDXNWHRSA-N 2 0 199.298 -0.114 20 0 ABADRP C[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)[NH+](C)C 637855298 347466638 /nfs/dbraw/zinc/46/66/38/347466638.db2.gz OMQLAMPEHRAZFV-APPZFPTMSA-N 2 0 199.298 -0.210 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C[NH3+])C1CC1 637854948 347466667 /nfs/dbraw/zinc/46/66/67/347466667.db2.gz OOQKCMRDPLGJJG-APPZFPTMSA-N 2 0 199.298 -0.162 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C[NH3+])C1CC1 637854950 347466695 /nfs/dbraw/zinc/46/66/95/347466695.db2.gz OOQKCMRDPLGJJG-IONNQARKSA-N 2 0 199.298 -0.162 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1C[NH3+] 637857937 347466715 /nfs/dbraw/zinc/46/67/15/347466715.db2.gz SEPXAFNHCUCBSU-DTWKUNHWSA-N 2 0 199.298 -0.066 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](C[NH3+])C1CC1 637854949 347466749 /nfs/dbraw/zinc/46/67/49/347466749.db2.gz OOQKCMRDPLGJJG-CBAPKCEASA-N 2 0 199.298 -0.162 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N(C)CCC[NH3+] 637852078 347466787 /nfs/dbraw/zinc/46/67/87/347466787.db2.gz BEZAATZIPVUKJI-QMMMGPOBSA-N 2 0 187.287 -0.208 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H]1C[NH3+] 637857940 347466805 /nfs/dbraw/zinc/46/68/05/347466805.db2.gz SEPXAFNHCUCBSU-RKDXNWHRSA-N 2 0 199.298 -0.066 20 0 ABADRP CC[NH2+][C@H](C)C(=O)NC[C@H](C)C[NH3+] 638140400 347474398 /nfs/dbraw/zinc/47/43/98/347474398.db2.gz BANGVUQAGRHZGB-HTQZYQBOSA-N 2 0 187.287 -0.305 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)NC[C@H](C)C[NH3+] 638140402 347474402 /nfs/dbraw/zinc/47/44/02/347474402.db2.gz BANGVUQAGRHZGB-SFYZADRCSA-N 2 0 187.287 -0.305 20 0 ABADRP C[C@H](C[NH3+])CNC(=O)[C@@H](C)[NH+](C)C 638142497 347474472 /nfs/dbraw/zinc/47/44/72/347474472.db2.gz CJRKEFKWAQXTHG-HTQZYQBOSA-N 2 0 187.287 -0.353 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H](C)C[NH3+] 638140403 347474479 /nfs/dbraw/zinc/47/44/79/347474479.db2.gz BANGVUQAGRHZGB-YUMQZZPRSA-N 2 0 187.287 -0.305 20 0 ABADRP CC[NH2+][C@H](C)C(=O)NC[C@@H](C)C[NH3+] 638140401 347474787 /nfs/dbraw/zinc/47/47/87/347474787.db2.gz BANGVUQAGRHZGB-JGVFFNPUSA-N 2 0 187.287 -0.305 20 0 ABADRP C[C@@H](C[NH3+])CNC(=O)[C@@H](C)[NH+](C)C 638142498 347474798 /nfs/dbraw/zinc/47/47/98/347474798.db2.gz CJRKEFKWAQXTHG-JGVFFNPUSA-N 2 0 187.287 -0.353 20 0 ABADRP C[C@H](C(=O)NCC1([NH3+])CCC1)[NH+](C)C 638161395 347475179 /nfs/dbraw/zinc/47/51/79/347475179.db2.gz CICAPQIASCFBGC-MRVPVSSYSA-N 2 0 199.298 -0.066 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C)C[NH3+] 638168919 347475193 /nfs/dbraw/zinc/47/51/93/347475193.db2.gz AOYAQHDBEPULMR-RQJHMYQMSA-N 2 0 173.260 -0.552 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)NCC1([NH3+])CCC1 638160398 347475230 /nfs/dbraw/zinc/47/52/30/347475230.db2.gz GHTLIOIQGCPRKR-QMMMGPOBSA-N 2 0 199.298 -0.018 20 0 ABADRP CC[NH2+][C@H](C)C(=O)NCC1([NH3+])CCC1 638160397 347475254 /nfs/dbraw/zinc/47/52/54/347475254.db2.gz GHTLIOIQGCPRKR-MRVPVSSYSA-N 2 0 199.298 -0.018 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]([NH3+])C1CC1 638154213 347475278 /nfs/dbraw/zinc/47/52/78/347475278.db2.gz NVSBXXBFOUDAAA-CBAPKCEASA-N 2 0 199.298 -0.162 20 0 ABADRP CC[NH2+][C@H](C)C(=O)NC[C@H]([NH3+])C1CC1 638154212 347475342 /nfs/dbraw/zinc/47/53/42/347475342.db2.gz NVSBXXBFOUDAAA-APPZFPTMSA-N 2 0 199.298 -0.162 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)C[NH3+] 638168911 347475365 /nfs/dbraw/zinc/47/53/65/347475365.db2.gz AOYAQHDBEPULMR-RNFRBKRXSA-N 2 0 173.260 -0.552 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)CC[NH3+] 638154288 347475400 /nfs/dbraw/zinc/47/54/00/347475400.db2.gz HACGJKUEHMDUKE-JGVFFNPUSA-N 2 0 187.287 -0.162 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C)CC[NH3+] 638154289 347475446 /nfs/dbraw/zinc/47/54/46/347475446.db2.gz HACGJKUEHMDUKE-SFYZADRCSA-N 2 0 187.287 -0.162 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](C)CC[NH3+] 638154290 347475467 /nfs/dbraw/zinc/47/54/67/347475467.db2.gz HACGJKUEHMDUKE-YUMQZZPRSA-N 2 0 187.287 -0.162 20 0 ABADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)CC[NH3+] 638154287 347475474 /nfs/dbraw/zinc/47/54/74/347475474.db2.gz HACGJKUEHMDUKE-HTQZYQBOSA-N 2 0 187.287 -0.162 20 0 ABADRP C[C@@H](CC[NH3+])NC(=O)[C@@H](C)[NH+](C)C 638152618 347475479 /nfs/dbraw/zinc/47/54/79/347475479.db2.gz AGCSYGNBNCDVOB-JGVFFNPUSA-N 2 0 187.287 -0.210 20 0 ABADRP C[C@H](CC[NH3+])NC(=O)[C@@H](C)[NH+](C)C 638152608 347475658 /nfs/dbraw/zinc/47/56/58/347475658.db2.gz AGCSYGNBNCDVOB-HTQZYQBOSA-N 2 0 187.287 -0.210 20 0 ABADRP C[C@H](C(=O)NC[C@H]([NH3+])C1CC1)[NH+](C)C 638153413 347475664 /nfs/dbraw/zinc/47/56/64/347475664.db2.gz JLIBSWARZKNVGL-APPZFPTMSA-N 2 0 199.298 -0.210 20 0 ABADRP C[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)[NH+](C)C 638153415 347475680 /nfs/dbraw/zinc/47/56/80/347475680.db2.gz JLIBSWARZKNVGL-VXNVDRBHSA-N 2 0 199.298 -0.210 20 0 ABADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]([NH3+])C1CC1 638154215 347475699 /nfs/dbraw/zinc/47/56/99/347475699.db2.gz NVSBXXBFOUDAAA-VXNVDRBHSA-N 2 0 199.298 -0.162 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]([NH3+])C1CC1 638154214 347475715 /nfs/dbraw/zinc/47/57/15/347475715.db2.gz NVSBXXBFOUDAAA-IONNQARKSA-N 2 0 199.298 -0.162 20 0 ABADRP C[C@H]([NH3+])CNC(=O)C1(C[NH+](C)C)CC1 638209857 347476105 /nfs/dbraw/zinc/47/61/05/347476105.db2.gz DOBMMSZLGWBQHH-QMMMGPOBSA-N 2 0 199.298 -0.208 20 0 ABADRP CC[NH2+][C@H](C)C(=O)NC[C@H](C)[NH3+] 638211928 347476109 /nfs/dbraw/zinc/47/61/09/347476109.db2.gz VJZACCJHMZPBQD-NKWVEPMBSA-N 2 0 173.260 -0.552 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)[C@@H](C)[NH+](C)C 638211470 347476135 /nfs/dbraw/zinc/47/61/35/347476135.db2.gz RAWXEAMDOJXBDP-RNFRBKRXSA-N 2 0 173.260 -0.600 20 0 ABADRP C[C@H](C[NH3+])NC(=O)[C@@H](C)[NH+](C)C 638172831 347476174 /nfs/dbraw/zinc/47/61/74/347476174.db2.gz RCIXQNFOQBWPTE-RNFRBKRXSA-N 2 0 173.260 -0.600 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)C1(C[NH+](C)C)CC1 638209856 347476258 /nfs/dbraw/zinc/47/62/58/347476258.db2.gz DOBMMSZLGWBQHH-MRVPVSSYSA-N 2 0 199.298 -0.208 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)NC[C@H](C)[NH3+] 638211927 347476293 /nfs/dbraw/zinc/47/62/93/347476293.db2.gz VJZACCJHMZPBQD-BQBZGAKWSA-N 2 0 173.260 -0.552 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@@H](C)[NH+](C)C 638211469 347476298 /nfs/dbraw/zinc/47/62/98/347476298.db2.gz RAWXEAMDOJXBDP-NKWVEPMBSA-N 2 0 173.260 -0.600 20 0 ABADRP C[C@H](C[NH3+])NC(=O)C1(C[NH+](C)C)CC1 638172446 347476331 /nfs/dbraw/zinc/47/63/31/347476331.db2.gz OQHUOZGKFNMJPN-MRVPVSSYSA-N 2 0 199.298 -0.208 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 638247013 347476673 /nfs/dbraw/zinc/47/66/73/347476673.db2.gz VQTZDYFDRZYYGR-RBXMUDONSA-N 2 0 197.282 -0.682 20 0 ABADRP 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CC[NH2+][C@@H](C)C(=O)NC[C@@H](C)[NH3+] 638211930 347476903 /nfs/dbraw/zinc/47/69/03/347476903.db2.gz VJZACCJHMZPBQD-RQJHMYQMSA-N 2 0 173.260 -0.552 20 0 ABADRP CC[C@H]([NH3+])CNC(=O)C[C@H](C)[NH3+] 638257920 347477269 /nfs/dbraw/zinc/47/72/69/347477269.db2.gz CYFPMJDGUJFWSP-BQBZGAKWSA-N 2 0 173.260 -0.423 20 0 ABADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 638267071 347477274 /nfs/dbraw/zinc/47/72/74/347477274.db2.gz FCHMDJBNPKRGPH-DJLDLDEBSA-N 2 0 199.298 -0.033 20 0 ABADRP CC[C@@H]([NH3+])CNC(=O)C[C@H](C)[NH3+] 638257921 347477280 /nfs/dbraw/zinc/47/72/80/347477280.db2.gz CYFPMJDGUJFWSP-NKWVEPMBSA-N 2 0 173.260 -0.423 20 0 ABADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]([NH3+])CC 638258416 347477299 /nfs/dbraw/zinc/47/72/99/347477299.db2.gz GYXUANANNANECC-YUMQZZPRSA-N 2 0 187.287 -0.162 20 0 ABADRP CC[NH2+][C@H](C)C(=O)NC[C@H]([NH3+])CC 638258413 347477348 /nfs/dbraw/zinc/47/73/48/347477348.db2.gz GYXUANANNANECC-HTQZYQBOSA-N 2 0 187.287 -0.162 20 0 ABADRP 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ABADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]([NH3+])C[C@@H]1C 638935171 347497473 /nfs/dbraw/zinc/49/74/73/347497473.db2.gz MFGRAPRWZLIYBP-XSPKLOCKSA-N 2 0 199.298 -0.082 20 0 ABADRP CC(C)[NH2+]CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C 638932845 347497475 /nfs/dbraw/zinc/49/74/75/347497475.db2.gz WZMJLPYYAPNESQ-IUCAKERBSA-N 2 0 199.298 -0.068 20 0 ABADRP C[C@H]([NH3+])CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C 638933248 347497489 /nfs/dbraw/zinc/49/74/89/347497489.db2.gz XXLDEDULLFMNAN-FXQIFTODSA-N 2 0 185.271 -0.328 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N1C[C@H]([NH3+])C[C@@H]1C 638936416 347497505 /nfs/dbraw/zinc/49/75/05/347497505.db2.gz QSMVJEOITHVYBP-XLPZGREQSA-N 2 0 185.271 -0.328 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1C[C@H]([NH3+])C[C@H]1C 638931308 347497530 /nfs/dbraw/zinc/49/75/30/347497530.db2.gz OBYCXHQSCPSZBR-GJMOJQLCSA-N 2 0 185.271 -0.458 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C[C@@H]1C 638946896 347498190 /nfs/dbraw/zinc/49/81/90/347498190.db2.gz QSMVJEOITHVYBP-FXQIFTODSA-N 2 0 185.271 -0.328 20 0 ABADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[NH2+]C1CC1 638938535 347497772 /nfs/dbraw/zinc/49/77/72/347497772.db2.gz YDGQPFHKSLAZPF-HTQZYQBOSA-N 2 0 197.282 -0.314 20 0 ABADRP C[C@@H]([NH3+])C(=O)N1C[C@H]([NH3+])C[C@H]1C 638946857 347497780 /nfs/dbraw/zinc/49/77/80/347497780.db2.gz QCIPXGBWOCSXMP-FSDSQADBSA-N 2 0 171.244 -0.718 20 0 ABADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@@H](C)[NH3+] 638946862 347497790 /nfs/dbraw/zinc/49/77/90/347497790.db2.gz QCIPXGBWOCSXMP-XVMARJQXSA-N 2 0 171.244 -0.718 20 0 ABADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C[NH2+]C1CC1 638938546 347497797 /nfs/dbraw/zinc/49/77/97/347497797.db2.gz YDGQPFHKSLAZPF-YUMQZZPRSA-N 2 0 197.282 -0.314 20 0 ABADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[NH2+]C1CC1 638938544 347497819 /nfs/dbraw/zinc/49/78/19/347497819.db2.gz YDGQPFHKSLAZPF-SFYZADRCSA-N 2 0 197.282 -0.314 20 0 ABADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CCC[NH2+]1 638946554 347497826 /nfs/dbraw/zinc/49/78/26/347497826.db2.gz NZSUSWTVDMRVHK-HRDYMLBCSA-N 2 0 197.282 -0.314 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C[C@H]1C 638946895 347497844 /nfs/dbraw/zinc/49/78/44/347497844.db2.gz QSMVJEOITHVYBP-CSMHCCOUSA-N 2 0 185.271 -0.328 20 0 ABADRP C[NH2+]CCCC(=O)N1C[C@@H]([NH3+])C[C@@H]1C 638945460 347497852 /nfs/dbraw/zinc/49/78/52/347497852.db2.gz GKCUWOVWXACGMQ-IUCAKERBSA-N 2 0 199.298 -0.066 20 0 ABADRP C[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C[C@H]1C 638946861 347497856 /nfs/dbraw/zinc/49/78/56/347497856.db2.gz QCIPXGBWOCSXMP-VQVTYTSYSA-N 2 0 171.244 -0.718 20 0 ABADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CC[NH3+] 638946434 347497864 /nfs/dbraw/zinc/49/78/64/347497864.db2.gz MZLUJQGNGDKEPC-RQJHMYQMSA-N 2 0 171.244 -0.717 20 0 ABADRP C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 638943410 347497868 /nfs/dbraw/zinc/49/78/68/347497868.db2.gz SROMUPBYGIHWGV-CIUDSAMLSA-N 2 0 199.298 -0.033 20 0 ABADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C 638947179 347497876 /nfs/dbraw/zinc/49/78/76/347497876.db2.gz STPFCWTXUWPAAA-CIUDSAMLSA-N 2 0 199.298 -0.210 20 0 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C[NH2+]CC(=O)NCCC[C@@H]1CCC[NH2+]1 647077360 375618793 /nfs/dbraw/zinc/61/87/93/375618793.db2.gz VRQBJKGZHYFHLA-VIFPVBQESA-N 2 0 199.298 -0.146 20 0 ABADRP [NH3+]CCCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 647082934 375618804 /nfs/dbraw/zinc/61/88/04/375618804.db2.gz VFVGFVLMLOCUFY-BDAKNGLRSA-N 2 0 199.298 -0.031 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 647082893 375618815 /nfs/dbraw/zinc/61/88/15/375618815.db2.gz RPUCOZMVTZWCHB-HRDYMLBCSA-N 2 0 199.298 -0.033 20 0 ABADRP C[NH2+]CCC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 647082779 375618831 /nfs/dbraw/zinc/61/88/31/375618831.db2.gz HSGFIQALOGPXIL-RKDXNWHRSA-N 2 0 199.298 -0.161 20 0 ABADRP C[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 647084118 375618849 /nfs/dbraw/zinc/61/88/49/375618849.db2.gz MJTKTNKVPQWERG-APPZFPTMSA-N 2 0 199.298 -0.033 20 0 ABADRP C[NH2+]CCC(=O)N1C[C@@H]([NH3+])[C@H](C)C1 647085059 375618878 /nfs/dbraw/zinc/61/88/78/375618878.db2.gz HHKDNNAKBJWAPM-HTQZYQBOSA-N 2 0 185.271 -0.599 20 0 ABADRP CC(C)([NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 647082798 375618902 /nfs/dbraw/zinc/61/89/02/375618902.db2.gz JDGSJMFZYXQFMP-SFYZADRCSA-N 2 0 199.298 -0.033 20 0 ABADRP C[NH2+]CC(=O)N[C@@H](C[NH3+])C1CCCC1 647084330 375618918 /nfs/dbraw/zinc/61/89/18/375618918.db2.gz KNTGLVVPXNJKRG-VIFPVBQESA-N 2 0 199.298 -0.161 20 0 ABADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 647082897 375618986 /nfs/dbraw/zinc/61/89/86/375618986.db2.gz RPUCOZMVTZWCHB-YIZRAAEISA-N 2 0 199.298 -0.033 20 0 ABADRP C[NH2+]CCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 647082776 375619000 /nfs/dbraw/zinc/61/90/00/375619000.db2.gz HSGFIQALOGPXIL-BDAKNGLRSA-N 2 0 199.298 -0.161 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 647086787 375620448 /nfs/dbraw/zinc/62/04/48/375620448.db2.gz HRSKKYZLUFZYFB-BDAKNGLRSA-N 2 0 199.298 -0.351 20 0 ABADRP C[NH2+]CC(=O)N(C)[C@H](C[NH3+])C1CC1 647085504 375619829 /nfs/dbraw/zinc/61/98/29/375619829.db2.gz HIDLGRPEOHRUMQ-MRVPVSSYSA-N 2 0 185.271 -0.599 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 647086789 375619793 /nfs/dbraw/zinc/61/97/93/375619793.db2.gz HRSKKYZLUFZYFB-IUCAKERBSA-N 2 0 199.298 -0.351 20 0 ABADRP C[C@@H]1CN(C(=O)CCC[NH3+])C[C@H]1[NH3+] 647085155 375619814 /nfs/dbraw/zinc/61/98/14/375619814.db2.gz RAQYSOZIHLSCOH-HTQZYQBOSA-N 2 0 185.271 -0.469 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 647086788 375619837 /nfs/dbraw/zinc/61/98/37/375619837.db2.gz HRSKKYZLUFZYFB-DTWKUNHWSA-N 2 0 199.298 -0.351 20 0 ABADRP C[NH2+]CC(=O)N1C[C@@H]([NH3+])[C@H](C)C1 647085222 375619860 /nfs/dbraw/zinc/61/98/60/375619860.db2.gz XXNFTMRJWKJCDC-RNFRBKRXSA-N 2 0 171.244 -0.989 20 0 ABADRP C[C@@H]([NH3+])C(=O)N1C[C@@H]([NH3+])[C@H](C)C1 647085244 375619872 /nfs/dbraw/zinc/61/98/72/375619872.db2.gz ZOOOHDNRZJRTTB-FSDSQADBSA-N 2 0 171.244 -0.861 20 0 ABADRP CN(C(=O)CCC[NH3+])[C@H](C[NH3+])C1CC1 647085573 375619918 /nfs/dbraw/zinc/61/99/18/375619918.db2.gz UMPVYCDDBBRFKR-SECBINFHSA-N 2 0 199.298 -0.079 20 0 ABADRP C[C@H]([NH3+])C(=O)N(C)[C@@H](C[NH3+])C1CC1 647085092 375619925 /nfs/dbraw/zinc/61/99/25/375619925.db2.gz KWITWKFGOGYQPW-XPUUQOCRSA-N 2 0 185.271 -0.471 20 0 ABADRP C[C@H]1CCN(C(=O)[C@@H](C)[NH3+])C[C@H]1C[NH3+] 647086804 375619937 /nfs/dbraw/zinc/61/99/37/375619937.db2.gz KSYQYCZNRYONKS-DJLDLDEBSA-N 2 0 199.298 -0.223 20 0 ABADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 647086805 375619946 /nfs/dbraw/zinc/61/99/46/375619946.db2.gz KSYQYCZNRYONKS-HLTSFMKQSA-N 2 0 199.298 -0.223 20 0 ABADRP C[NH2+]CCC(=O)N(C)[C@H](C[NH3+])C1CC1 647085521 375619963 /nfs/dbraw/zinc/61/99/63/375619963.db2.gz KZUQPSSOXZRQEU-SECBINFHSA-N 2 0 199.298 -0.208 20 0 ABADRP CN(C(=O)CCC[NH3+])[C@@H](C[NH3+])C1CC1 647085574 375619972 /nfs/dbraw/zinc/61/99/72/375619972.db2.gz UMPVYCDDBBRFKR-VIFPVBQESA-N 2 0 199.298 -0.079 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H]([NH3+])[C@H](C)C1 647085144 375619986 /nfs/dbraw/zinc/61/99/86/375619986.db2.gz QYRHQKDYZZOHIV-BWZBUEFSSA-N 2 0 185.271 -0.471 20 0 ABADRP C[C@H](C[NH3+])C(=O)N(C)[C@H](C[NH3+])C1CC1 647085389 375620033 /nfs/dbraw/zinc/62/00/33/375620033.db2.gz VFZZFTPIKZDAQV-VXNVDRBHSA-N 2 0 199.298 -0.223 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])[C@H](C)C1 647085147 375620064 /nfs/dbraw/zinc/62/00/64/375620064.db2.gz QYRHQKDYZZOHIV-GJMOJQLCSA-N 2 0 185.271 -0.471 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 647086790 375620080 /nfs/dbraw/zinc/62/00/80/375620080.db2.gz HRSKKYZLUFZYFB-RKDXNWHRSA-N 2 0 199.298 -0.351 20 0 ABADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]([NH3+])[C@H](C)C1 647085231 375620114 /nfs/dbraw/zinc/62/01/14/375620114.db2.gz ZHKMYHCZDMPPJU-RYPBNFRJSA-N 2 0 199.298 -0.225 20 0 ABADRP C[C@@H]([NH3+])CC(=O)N(C)[C@H](C[NH3+])C1CC1 647085568 375620133 /nfs/dbraw/zinc/62/01/33/375620133.db2.gz SZJYGSSFFUSVEH-VXNVDRBHSA-N 2 0 199.298 -0.081 20 0 ABADRP C[NH2+]CCCC(=O)N1C[C@@H]([NH3+])[C@H](C)C1 647085102 375620146 /nfs/dbraw/zinc/62/01/46/375620146.db2.gz LVHCCKUUVKHHSR-RKDXNWHRSA-N 2 0 199.298 -0.208 20 0 ABADRP CN(CC[NH3+])C(=O)C[C@H]1CCC[NH2+]1 647088586 375620155 /nfs/dbraw/zinc/62/01/55/375620155.db2.gz ABKXSJWQRXUFBO-MRVPVSSYSA-N 2 0 185.271 -0.454 20 0 ABADRP C[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 647086806 375620167 /nfs/dbraw/zinc/62/01/67/375620167.db2.gz KSYQYCZNRYONKS-HRDYMLBCSA-N 2 0 199.298 -0.223 20 0 ABADRP CN(C(=O)CC[NH3+])[C@@H](C[NH3+])C1CC1 647085463 375620181 /nfs/dbraw/zinc/62/01/81/375620181.db2.gz BELOBGSQYUHIIJ-QMMMGPOBSA-N 2 0 185.271 -0.469 20 0 ABADRP C[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 647086809 375620211 /nfs/dbraw/zinc/62/02/11/375620211.db2.gz KSYQYCZNRYONKS-XHNCKOQMSA-N 2 0 199.298 -0.223 20 0 ABADRP C[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 647086808 375620230 /nfs/dbraw/zinc/62/02/30/375620230.db2.gz KSYQYCZNRYONKS-VGMNWLOBSA-N 2 0 199.298 -0.223 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N(C)[C@@H](C[NH3+])C1CC1 647085387 375620245 /nfs/dbraw/zinc/62/02/45/375620245.db2.gz VFZZFTPIKZDAQV-CBAPKCEASA-N 2 0 199.298 -0.223 20 0 ABADRP C[C@H](C[NH3+])C(=O)N(C)[C@@H](C[NH3+])C1CC1 647085386 375620258 /nfs/dbraw/zinc/62/02/58/375620258.db2.gz VFZZFTPIKZDAQV-APPZFPTMSA-N 2 0 199.298 -0.223 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N(C)[C@H](C[NH3+])C1CC1 647085388 375620262 /nfs/dbraw/zinc/62/02/62/375620262.db2.gz VFZZFTPIKZDAQV-IONNQARKSA-N 2 0 199.298 -0.223 20 0 ABADRP CN(CC[NH3+])C(=O)C[C@@H]1CCC[NH2+]1 647088587 375620269 /nfs/dbraw/zinc/62/02/69/375620269.db2.gz ABKXSJWQRXUFBO-QMMMGPOBSA-N 2 0 185.271 -0.454 20 0 ABADRP CN(C(=O)CC[NH3+])[C@H](C[NH3+])C1CC1 647085462 375620292 /nfs/dbraw/zinc/62/02/92/375620292.db2.gz BELOBGSQYUHIIJ-MRVPVSSYSA-N 2 0 185.271 -0.469 20 0 ABADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[NH3+] 647088588 375620303 /nfs/dbraw/zinc/62/03/03/375620303.db2.gz ASXYBLYVOGEZRG-HTQZYQBOSA-N 2 0 185.271 -0.599 20 0 ABADRP C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])C[C@H]1[NH3+] 647085224 375620309 /nfs/dbraw/zinc/62/03/09/375620309.db2.gz YHKSVCRCDAGKQH-HTQZYQBOSA-N 2 0 199.298 -0.081 20 0 ABADRP C[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 647086803 375620349 /nfs/dbraw/zinc/62/03/49/375620349.db2.gz KSYQYCZNRYONKS-CIUDSAMLSA-N 2 0 199.298 -0.223 20 0 ABADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]([NH3+])[C@H](C)C1 647085249 375620378 /nfs/dbraw/zinc/62/03/78/375620378.db2.gz ZPGYFASJRMDBMY-DJLDLDEBSA-N 2 0 199.298 -0.353 20 0 ABADRP C[C@H]1CCN(C(=O)[C@@H](C)[NH3+])C[C@@H]1C[NH3+] 647086810 375620394 /nfs/dbraw/zinc/62/03/94/375620394.db2.gz KSYQYCZNRYONKS-YIZRAAEISA-N 2 0 199.298 -0.223 20 0 ABADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H]([NH3+])[C@H](C)C1 647085260 375620430 /nfs/dbraw/zinc/62/04/30/375620430.db2.gz ZWFMIPATZPSXIK-IWSPIJDZSA-N 2 0 199.298 -0.225 20 0 ABADRP C[C@@H]1CN(C(=O)CC[NH3+])C[C@H]1[NH3+] 647085238 375620460 /nfs/dbraw/zinc/62/04/60/375620460.db2.gz ZKUAOKOGIPMIIC-RNFRBKRXSA-N 2 0 171.244 -0.859 20 0 ABADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 647086807 375620469 /nfs/dbraw/zinc/62/04/69/375620469.db2.gz KSYQYCZNRYONKS-IWSPIJDZSA-N 2 0 199.298 -0.223 20 0 ABADRP C[NH2+]CC(=O)N(C)[C@@H](C[NH3+])C1CC1 647085505 375620485 /nfs/dbraw/zinc/62/04/85/375620485.db2.gz HIDLGRPEOHRUMQ-QMMMGPOBSA-N 2 0 185.271 -0.599 20 0 ABADRP C[C@@H]([NH3+])C(=O)N(C)[C@@H](C[NH3+])C1CC1 647085091 375620544 /nfs/dbraw/zinc/62/05/44/375620544.db2.gz KWITWKFGOGYQPW-SVRRBLITSA-N 2 0 185.271 -0.471 20 0 ABADRP C[NH2+]CCC(=O)N(C)[C@@H](C[NH3+])C1CC1 647085522 375620577 /nfs/dbraw/zinc/62/05/77/375620577.db2.gz KZUQPSSOXZRQEU-VIFPVBQESA-N 2 0 199.298 -0.208 20 0 ABADRP C[C@H]([NH3+])C(=O)N(C)[C@H](C[NH3+])C1CC1 647085090 375620586 /nfs/dbraw/zinc/62/05/86/375620586.db2.gz KWITWKFGOGYQPW-POYBYMJQSA-N 2 0 185.271 -0.471 20 0 ABADRP C[C@@H]([NH3+])C(=O)N(C)[C@H](C[NH3+])C1CC1 647085089 375620613 /nfs/dbraw/zinc/62/06/13/375620613.db2.gz KWITWKFGOGYQPW-HTRCEHHLSA-N 2 0 185.271 -0.471 20 0 ABADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[NH3+] 647088589 375620646 /nfs/dbraw/zinc/62/06/46/375620646.db2.gz ASXYBLYVOGEZRG-JGVFFNPUSA-N 2 0 185.271 -0.599 20 0 ABADRP C[C@@H]([NH3+])CC(=O)N(C)[C@@H](C[NH3+])C1CC1 647085567 375620649 /nfs/dbraw/zinc/62/06/49/375620649.db2.gz SZJYGSSFFUSVEH-APPZFPTMSA-N 2 0 199.298 -0.081 20 0 ABADRP CN(CC[NH3+])C(=O)CC[C@H]1CC[NH2+]C1 647088711 375621442 /nfs/dbraw/zinc/62/14/42/375621442.db2.gz XYMLHGJCIWTYIY-VIFPVBQESA-N 2 0 199.298 -0.207 20 0 ABADRP CN(CC[NH3+])C(=O)CC(C)(C)[NH3+] 647088628 375621363 /nfs/dbraw/zinc/62/13/63/375621363.db2.gz HUAUPRVYBREZNA-UHFFFAOYSA-N 2 0 173.260 -0.469 20 0 ABADRP CN(CC[NH3+])C(=O)CC[C@@H]1CCC[NH2+]1 647088796 375621373 /nfs/dbraw/zinc/62/13/73/375621373.db2.gz XAVVXOYPEXVHHL-VIFPVBQESA-N 2 0 199.298 -0.064 20 0 ABADRP CN(CC[NH3+])C(=O)C1(C[NH3+])CCCC1 647088681 375621384 /nfs/dbraw/zinc/62/13/84/375621384.db2.gz SAFKPAVMRXDHFI-UHFFFAOYSA-N 2 0 199.298 -0.077 20 0 ABADRP CC(C)[NH2+]CCC(=O)N(C)CC[NH3+] 647088667 375621386 /nfs/dbraw/zinc/62/13/86/375621386.db2.gz PWXGNMSEUIDHOD-UHFFFAOYSA-N 2 0 187.287 -0.208 20 0 ABADRP CN(CC[NH3+])C(=O)[C@@H]1C[C@]12CC[NH2+]C2 647088640 375621391 /nfs/dbraw/zinc/62/13/91/375621391.db2.gz JPVWXSBKIMAFKY-WPRPVWTQSA-N 2 0 197.282 -0.597 20 0 ABADRP CN(CC[NH3+])C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 647088639 375621397 /nfs/dbraw/zinc/62/13/97/375621397.db2.gz JPVWXSBKIMAFKY-WCBMZHEXSA-N 2 0 197.282 -0.597 20 0 ABADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)CC[NH3+] 647088689 375621400 /nfs/dbraw/zinc/62/14/00/375621400.db2.gz UDCPJIZZCRJRIG-BQBZGAKWSA-N 2 0 173.260 -0.613 20 0 ABADRP CCC[NH2+][C@@H](C)C(=O)N(C)CC[NH3+] 647088701 375621404 /nfs/dbraw/zinc/62/14/04/375621404.db2.gz UXPXCRNAGHYBBR-QMMMGPOBSA-N 2 0 187.287 -0.208 20 0 ABADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[NH3+] 647088760 375621406 /nfs/dbraw/zinc/62/14/06/375621406.db2.gz OXHAPVCIJCFOMY-IUCAKERBSA-N 2 0 199.298 -0.208 20 0 ABADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CC[NH3+] 647088691 375621408 /nfs/dbraw/zinc/62/14/08/375621408.db2.gz UDCPJIZZCRJRIG-RNFRBKRXSA-N 2 0 173.260 -0.613 20 0 ABADRP CN(CC[NH3+])C(=O)C(C)(C)[NH3+] 647088679 375621412 /nfs/dbraw/zinc/62/14/12/375621412.db2.gz RLDKYAXWJGMTQT-UHFFFAOYSA-N 2 0 159.233 -0.859 20 0 ABADRP CCC[C@](C)([NH3+])C(=O)N(C)CC[NH3+] 647088792 375621417 /nfs/dbraw/zinc/62/14/17/375621417.db2.gz WKZGSVZULBYNSM-VIFPVBQESA-N 2 0 187.287 -0.079 20 0 ABADRP CN(CC[NH3+])C(=O)[C@@H]1[NH2+]CC1(C)C 647088600 375621438 /nfs/dbraw/zinc/62/14/38/375621438.db2.gz CJQUCJMVUQDABV-ZETCQYMHSA-N 2 0 185.271 -0.599 20 0 ABADRP CN(CC[NH3+])C(=O)[C@H]1CCCC[N@@H+]1C 647088624 375621446 /nfs/dbraw/zinc/62/14/46/375621446.db2.gz HILQSPVSIHYRFG-SECBINFHSA-N 2 0 199.298 -0.112 20 0 ABADRP CN(CC[NH3+])C(=O)C[NH2+]C1CC1 647088773 375621465 /nfs/dbraw/zinc/62/14/65/375621465.db2.gz RYZISJVFABZVLA-UHFFFAOYSA-N 2 0 171.244 -0.845 20 0 ABADRP CC(C)C[C@H]([NH3+])C(=O)N(C)CC[NH3+] 647088731 375621470 /nfs/dbraw/zinc/62/14/70/375621470.db2.gz FKFCNVNTOXMRMS-QMMMGPOBSA-N 2 0 187.287 -0.223 20 0 ABADRP CN(CC[NH3+])C(=O)CC[C@@H]1CC[NH2+]C1 647088710 375621480 /nfs/dbraw/zinc/62/14/80/375621480.db2.gz XYMLHGJCIWTYIY-SECBINFHSA-N 2 0 199.298 -0.207 20 0 ABADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[NH3+] 647088591 375621485 /nfs/dbraw/zinc/62/14/85/375621485.db2.gz ASXYBLYVOGEZRG-YUMQZZPRSA-N 2 0 185.271 -0.599 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N(C)CC[NH3+] 647088618 375621487 /nfs/dbraw/zinc/62/14/87/375621487.db2.gz GSGHMQJNUBWIIZ-ZCFIWIBFSA-N 2 0 159.233 -0.859 20 0 ABADRP C[NH2+]CCC(=O)N(C)CC[NH3+] 647088680 375621499 /nfs/dbraw/zinc/62/14/99/375621499.db2.gz RVUMGWCDSZZDEU-UHFFFAOYSA-N 2 0 159.233 -0.987 20 0 ABADRP CC(C)[C@H]([NH3+])C(=O)N(C)CC[NH3+] 647088621 375621503 /nfs/dbraw/zinc/62/15/03/375621503.db2.gz HBCRCEPCNWBVOV-ZETCQYMHSA-N 2 0 173.260 -0.613 20 0 ABADRP CN(CC[NH3+])C(=O)C(C)(C)C[NH3+] 647088694 375621518 /nfs/dbraw/zinc/62/15/18/375621518.db2.gz UPSNAVXHRBNIOS-UHFFFAOYSA-N 2 0 173.260 -0.612 20 0 ABADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CC[NH3+] 647088781 375621535 /nfs/dbraw/zinc/62/15/35/375621535.db2.gz UNCPGBSGTDBAET-SFYZADRCSA-N 2 0 187.287 -0.223 20 0 ABADRP CN(CC[NH3+])C(=O)[C@@H]([NH3+])C1CCC1 647088805 375621544 /nfs/dbraw/zinc/62/15/44/375621544.db2.gz ZUMWPMQDAOLQEF-QMMMGPOBSA-N 2 0 185.271 -0.469 20 0 ABADRP CN(CC[NH3+])C(=O)CCC[NH3+] 647088683 375621553 /nfs/dbraw/zinc/62/15/53/375621553.db2.gz SNOPDPURXUGGMO-UHFFFAOYSA-N 2 0 159.233 -0.858 20 0 ABADRP CCC[NH2+][C@H](C)C(=O)N(C)CC[NH3+] 647088700 375621555 /nfs/dbraw/zinc/62/15/55/375621555.db2.gz UXPXCRNAGHYBBR-MRVPVSSYSA-N 2 0 187.287 -0.208 20 0 ABADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[NH3+] 647088759 375621560 /nfs/dbraw/zinc/62/15/60/375621560.db2.gz OXHAPVCIJCFOMY-DTWKUNHWSA-N 2 0 199.298 -0.208 20 0 ABADRP CN(CC[NH3+])C(=O)CC1(C[NH3+])CC1 647088778 375621574 /nfs/dbraw/zinc/62/15/74/375621574.db2.gz UERLTBRALGDOKM-UHFFFAOYSA-N 2 0 185.271 -0.468 20 0 ABADRP CC(C)C[C@@H]([NH3+])C(=O)N(C)CC[NH3+] 647088730 375621597 /nfs/dbraw/zinc/62/15/97/375621597.db2.gz FKFCNVNTOXMRMS-MRVPVSSYSA-N 2 0 187.287 -0.223 20 0 ABADRP CN(CC[NH3+])C(=O)[C@H]1C[C@]12CC[NH2+]C2 647088638 375621603 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CCC[C@@](C)([NH3+])C(=O)N(C)CC[NH3+] 647088791 375621704 /nfs/dbraw/zinc/62/17/04/375621704.db2.gz WKZGSVZULBYNSM-SECBINFHSA-N 2 0 187.287 -0.079 20 0 ABADRP C[NH2+]C[C@H](C)C(=O)N(C)CC[NH3+] 647088611 375621711 /nfs/dbraw/zinc/62/17/11/375621711.db2.gz GDBSRBWGLBDUJT-ZETCQYMHSA-N 2 0 173.260 -0.741 20 0 ABADRP CC[C@H]([NH3+])C(=O)N(C)CC[NH3+] 647088617 375621715 /nfs/dbraw/zinc/62/17/15/375621715.db2.gz GSGHMQJNUBWIIZ-LURJTMIESA-N 2 0 159.233 -0.859 20 0 ABADRP CCC[N@H+](C)CC(=O)N(C)CC[NH3+] 647088608 375621724 /nfs/dbraw/zinc/62/17/24/375621724.db2.gz FIGODVWWGOTJGG-UHFFFAOYSA-N 2 0 187.287 -0.255 20 0 ABADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH3+] 647088685 375621758 /nfs/dbraw/zinc/62/17/58/375621758.db2.gz SSFWSWFWXKUBBK-UHFFFAOYSA-N 2 0 187.287 -0.256 20 0 ABADRP C[C@H]([NH3+])[C@@H](C)C(=O)N(C)CC[NH3+] 647088692 375621776 /nfs/dbraw/zinc/62/17/76/375621776.db2.gz UDCPJIZZCRJRIG-RQJHMYQMSA-N 2 0 173.260 -0.613 20 0 ABADRP CN(CC[NH3+])C(=O)C[NH2+]CC1CC1 647088633 375621783 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[NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC[NH2+]C2)C1 647681120 375666775 /nfs/dbraw/zinc/66/67/75/375666775.db2.gz YVFMUGDTAUFWAH-RNJXMRFFSA-N 2 0 183.255 -0.798 20 0 ABADRP CC[NH2+]CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 647748149 375666803 /nfs/dbraw/zinc/66/68/03/375666803.db2.gz LONPVNRGFSAXHJ-OCAPTIKFSA-N 2 0 185.271 -0.551 20 0 ABADRP CC[NH2+]CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 647669100 375666869 /nfs/dbraw/zinc/66/68/69/375666869.db2.gz HGICENUHGVAHEP-DTORHVGOSA-N 2 0 199.298 -0.161 20 0 ABADRP C[NH2+]CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 647648802 375666895 /nfs/dbraw/zinc/66/68/95/375666895.db2.gz HKODFLXMMKPTCH-OCAPTIKFSA-N 2 0 185.271 -0.551 20 0 ABADRP C[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]1 647807557 375667554 /nfs/dbraw/zinc/66/75/54/375667554.db2.gz UEGAQCMQMWQTRK-HLTSFMKQSA-N 2 0 197.282 -0.456 20 0 ABADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1C[C@@H]([NH3+])C1 647825015 375667599 /nfs/dbraw/zinc/66/75/99/375667599.db2.gz RQSKAJVFUSXHRM-YIZRAAEISA-N 2 0 199.298 -0.177 20 0 ABADRP C[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]1 647807558 375667671 /nfs/dbraw/zinc/66/76/71/375667671.db2.gz UEGAQCMQMWQTRK-XHNCKOQMSA-N 2 0 197.282 -0.456 20 0 ABADRP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 647791187 375667677 /nfs/dbraw/zinc/66/76/77/375667677.db2.gz AETGVYPXRQDRSP-HRDYMLBCSA-N 2 0 197.282 -0.456 20 0 ABADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 647754560 375667750 /nfs/dbraw/zinc/66/77/50/375667750.db2.gz QCLNBAYSDJIPSZ-HRDYMLBCSA-N 2 0 197.282 -0.408 20 0 ABADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[C@@H]([NH3+])C1 647825014 375667777 /nfs/dbraw/zinc/66/77/77/375667777.db2.gz RQSKAJVFUSXHRM-HRDYMLBCSA-N 2 0 199.298 -0.177 20 0 ABADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 647754561 375667802 /nfs/dbraw/zinc/66/78/02/375667802.db2.gz QCLNBAYSDJIPSZ-YIZRAAEISA-N 2 0 197.282 -0.408 20 0 ABADRP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[NH2+]C1 647791188 375667860 /nfs/dbraw/zinc/66/78/60/375667860.db2.gz AETGVYPXRQDRSP-YIZRAAEISA-N 2 0 197.282 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197.282 -0.327 20 0 ABADRP [NH3+]C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC1 647834438 375669748 /nfs/dbraw/zinc/66/97/48/375669748.db2.gz ZGUULYIRJGOSMQ-YIZRAAEISA-N 2 0 197.282 -0.423 20 0 ABADRP CN(C)C(=O)CC[NH2+]CC1([NH3+])CCC1 647907577 375675725 /nfs/dbraw/zinc/67/57/25/375675725.db2.gz AEODDTHEKLWWBP-UHFFFAOYSA-N 2 0 199.298 -0.064 20 0 ABADRP CC[N@H+](CCCO)CCOCC[NH3+] 647888066 375672814 /nfs/dbraw/zinc/67/28/14/375672814.db2.gz HXGWMILWDGYWHK-UHFFFAOYSA-N 2 0 190.287 -0.334 20 0 ABADRP C[C@@H]1[NH2+]CC[C@@H](C)[C@H]1NCC[NH3+] 647988001 375681721 /nfs/dbraw/zinc/68/17/21/375681721.db2.gz DOWYGVPSEOUSMI-HRDYMLBCSA-N 2 0 171.288 -0.079 20 0 ABADRP C[N@H+](CCOCC[NH3+])C1CC([NH3+])C1 647982623 375681762 /nfs/dbraw/zinc/68/17/62/375681762.db2.gz GSTJCOHKPLSSOC-UHFFFAOYSA-N 3 0 187.287 -0.617 20 0 ABADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC[NH3+] 647988000 375681787 /nfs/dbraw/zinc/68/17/87/375681787.db2.gz DOWYGVPSEOUSMI-HLTSFMKQSA-N 2 0 171.288 -0.079 20 0 ABADRP 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187.287 -0.351 20 0 ABADRP C[NH2+]CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 44726764 409359136 /nfs/dbraw/zinc/35/91/36/409359136.db2.gz VSJITFLNZQXAAI-QMMMGPOBSA-N 2 0 197.282 -0.441 20 0 ABADRP C[C@H](C[NH3+])C(=O)NCC[NH+](C)C 44795935 409359306 /nfs/dbraw/zinc/35/93/06/409359306.db2.gz WCHPUHLZWOWPIX-SSDOTTSWSA-N 2 0 173.260 -0.741 20 0 ABADRP C[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 44726763 409359904 /nfs/dbraw/zinc/35/99/04/409359904.db2.gz VSJITFLNZQXAAI-MRVPVSSYSA-N 2 0 197.282 -0.441 20 0 ABADRP C[NH+](C)CCNC(=O)C(C)(C)C[NH3+] 44751238 409360001 /nfs/dbraw/zinc/36/00/01/409360001.db2.gz INTTYVMDPGHCOY-UHFFFAOYSA-N 2 0 187.287 -0.351 20 0 ABADRP C[NH2+]CCNC(=O)[C@@H]1CCC[NH2+]CC1 653047604 409363145 /nfs/dbraw/zinc/36/31/45/409363145.db2.gz AYVOYTAREYRCTF-SECBINFHSA-N 2 0 199.298 -0.288 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@@H]1CCC[NH2+]CC1 653136316 409363172 /nfs/dbraw/zinc/36/31/72/409363172.db2.gz LCXJOURJPCTTNT-DTWKUNHWSA-N 2 0 199.298 -0.161 20 0 ABADRP C[NH2+]CCNC(=O)[C@H]1CCC[NH2+]CC1 653047605 409363580 /nfs/dbraw/zinc/36/35/80/409363580.db2.gz AYVOYTAREYRCTF-VIFPVBQESA-N 2 0 199.298 -0.288 20 0 ABADRP C[C@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 653130387 409363819 /nfs/dbraw/zinc/36/38/19/409363819.db2.gz HTTPTCUGPIDUBU-RKDXNWHRSA-N 2 0 199.298 -0.161 20 0 ABADRP C[C@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 653130386 409363923 /nfs/dbraw/zinc/36/39/23/409363923.db2.gz HTTPTCUGPIDUBU-BDAKNGLRSA-N 2 0 199.298 -0.161 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)[C@H]1CCC[NH2+]CC1 653136315 409363990 /nfs/dbraw/zinc/36/39/90/409363990.db2.gz LCXJOURJPCTTNT-BDAKNGLRSA-N 2 0 199.298 -0.161 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)[C@@H]1CCC[NH2+]CC1 653136318 409364446 /nfs/dbraw/zinc/36/44/46/409364446.db2.gz LCXJOURJPCTTNT-RKDXNWHRSA-N 2 0 199.298 -0.161 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@H]1CCC[NH2+]CC1 653136317 409364478 /nfs/dbraw/zinc/36/44/78/409364478.db2.gz LCXJOURJPCTTNT-IUCAKERBSA-N 2 0 199.298 -0.161 20 0 ABADRP 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CC[NH+](CC)[C@H]1CCN(C(=O)C[NH3+])C1 62972608 409404563 /nfs/dbraw/zinc/40/45/63/409404563.db2.gz LSMAUJARVJQWJH-VIFPVBQESA-N 2 0 199.298 -0.112 20 0 ABADRP [NH3+]CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 62972978 409404832 /nfs/dbraw/zinc/40/48/32/409404832.db2.gz LJZHTTUNVGVGNG-VIFPVBQESA-N 2 0 197.282 -0.358 20 0 ABADRP [NH3+]CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 62972977 409405101 /nfs/dbraw/zinc/40/51/01/409405101.db2.gz LJZHTTUNVGVGNG-SECBINFHSA-N 2 0 197.282 -0.358 20 0 ABADRP CC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 63178696 409405961 /nfs/dbraw/zinc/40/59/61/409405961.db2.gz HHMYOJQJNRKLTK-SECBINFHSA-N 2 0 199.298 -0.207 20 0 ABADRP C[NH2+]CC1CC[NH+](CC(N)=O)CC1 63166123 409406089 /nfs/dbraw/zinc/40/60/89/409406089.db2.gz XGXUHHUDMIPLAX-UHFFFAOYSA-N 2 0 185.271 -0.597 20 0 ABADRP C[NH2+]CC1CC[NH+]([C@H](C)C(N)=O)CC1 63166193 409406333 /nfs/dbraw/zinc/40/63/33/409406333.db2.gz YQVYJSPANJOVRM-MRVPVSSYSA-N 2 0 199.298 -0.208 20 0 ABADRP CC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 63178695 409406480 /nfs/dbraw/zinc/40/64/80/409406480.db2.gz HHMYOJQJNRKLTK-VIFPVBQESA-N 2 0 199.298 -0.207 20 0 ABADRP C[NH2+]CCCNC(=O)CC[NH2+]C1CC1 655412856 409406574 /nfs/dbraw/zinc/40/65/74/409406574.db2.gz ABSJWMDOVBTOOP-UHFFFAOYSA-N 2 0 199.298 -0.146 20 0 ABADRP CC[NH2+]CCCNC(=O)[C@H](C)[NH2+]C 655413370 409406591 /nfs/dbraw/zinc/40/65/91/409406591.db2.gz WHSVOZOHBHUFCK-QMMMGPOBSA-N 2 0 187.287 -0.290 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N(C)[C@H](C)C[NH3+] 655415164 409406637 /nfs/dbraw/zinc/40/66/37/409406637.db2.gz JUZBHOXODVKLBF-RQJHMYQMSA-N 2 0 173.260 -0.600 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]([NH2+]C)C1 655412227 409406692 /nfs/dbraw/zinc/40/66/92/409406692.db2.gz ORWDJFARSQTPEA-JGVFFNPUSA-N 2 0 185.271 -0.585 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]C1 655413246 409406723 /nfs/dbraw/zinc/40/67/23/409406723.db2.gz QPDCMGOIKIVMEQ-BQBZGAKWSA-N 2 0 171.244 -0.928 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@](C)(C[NH3+])C1CC1 655415373 409406837 /nfs/dbraw/zinc/40/68/37/409406837.db2.gz LZCDKEBZBKDLOJ-OIBJUYFYSA-N 2 0 199.298 -0.162 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[NH2+]C1 655415468 409406860 /nfs/dbraw/zinc/40/68/60/409406860.db2.gz OBEBYBDCOXLLHO-JGVFFNPUSA-N 2 0 185.271 -0.585 20 0 ABADRP CC(C)(C[NH3+])NC(=O)CC[NH2+]C1CC1 655414102 409406877 /nfs/dbraw/zinc/40/68/77/409406877.db2.gz GMSHMGHXEDCVEP-UHFFFAOYSA-N 2 0 199.298 -0.018 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]([NH3+])C1 655411523 409406879 /nfs/dbraw/zinc/40/68/79/409406879.db2.gz VELZWYMMCVCYOP-YUMQZZPRSA-N 2 0 185.271 -0.456 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[NH2+]1 655413700 409406911 /nfs/dbraw/zinc/40/69/11/409406911.db2.gz GDWZJODGZAJPRN-DTWKUNHWSA-N 2 0 199.298 -0.147 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NCC[C@H]1CC[NH2+]C1 655414087 409406932 /nfs/dbraw/zinc/40/69/32/409406932.db2.gz GDEDWMSUQSUFFG-DTWKUNHWSA-N 2 0 199.298 -0.290 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NCC[C@@H]1CC[NH2+]C1 655414088 409406958 /nfs/dbraw/zinc/40/69/58/409406958.db2.gz GDEDWMSUQSUFFG-IUCAKERBSA-N 2 0 199.298 -0.290 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[NH2+]C1 655412391 409406997 /nfs/dbraw/zinc/40/69/97/409406997.db2.gz RHFYHZHTUKZMER-JGVFFNPUSA-N 2 0 185.271 -0.538 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NCC1CC[NH2+]CC1 655411697 409407065 /nfs/dbraw/zinc/40/70/65/409407065.db2.gz HJMJXCAGTVJNGT-QMMMGPOBSA-N 2 0 199.298 -0.290 20 0 ABADRP [NH3+][C@@H]1CCN(C(=O)CC[NH2+]C2CC2)C1 655411680 409407210 /nfs/dbraw/zinc/40/72/10/409407210.db2.gz GQIDFVGPHVAUTP-MRVPVSSYSA-N 2 0 197.282 -0.312 20 0 ABADRP C[C@H](C[NH3+])N(C)C(=O)CC[NH2+]C1CC1 655414906 409407228 /nfs/dbraw/zinc/40/72/28/409407228.db2.gz GKUHOHGSAZOACL-MRVPVSSYSA-N 2 0 199.298 -0.066 20 0 ABADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(N)=O)CC1 63166192 409407265 /nfs/dbraw/zinc/40/72/65/409407265.db2.gz YQVYJSPANJOVRM-QMMMGPOBSA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N(C)[C@@H](C)C[NH3+] 655415157 409407270 /nfs/dbraw/zinc/40/72/70/409407270.db2.gz JUZBHOXODVKLBF-BQBZGAKWSA-N 2 0 173.260 -0.600 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[NH2+]C1 655415020 409407280 /nfs/dbraw/zinc/40/72/80/409407280.db2.gz SWROURRYCYKKGE-IUCAKERBSA-N 2 0 199.298 -0.290 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C 655413830 409407304 /nfs/dbraw/zinc/40/73/04/409407304.db2.gz KAUZGEZTGSDXNW-SFYZADRCSA-N 2 0 185.271 -0.585 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N(C)C1CC[NH2+]CC1 655413255 409407439 /nfs/dbraw/zinc/40/74/39/409407439.db2.gz QWYFYVJANYKHGY-QMMMGPOBSA-N 2 0 199.298 -0.195 20 0 ABADRP [NH3+]CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 655411875 409407458 /nfs/dbraw/zinc/40/74/58/409407458.db2.gz YRDJMKCFHBBMND-PSASIEDQSA-N 2 0 197.282 -0.549 20 0 ABADRP C[NH2+]CCCNC(=O)[C@H](C)[NH2+]C 655413100 409407462 /nfs/dbraw/zinc/40/74/62/409407462.db2.gz KMNHJEUSIIVNKY-ZETCQYMHSA-N 2 0 173.260 -0.680 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 655411519 409407474 /nfs/dbraw/zinc/40/74/74/409407474.db2.gz VELZWYMMCVCYOP-JGVFFNPUSA-N 2 0 185.271 -0.456 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC1(C[NH3+])CCCC1 655415074 409407487 /nfs/dbraw/zinc/40/74/87/409407487.db2.gz HYQSCPHEDJBKAW-QMMMGPOBSA-N 2 0 199.298 -0.018 20 0 ABADRP C[C@@H](C[NH3+])N(C)C(=O)CC[NH2+]C1CC1 655414907 409407496 /nfs/dbraw/zinc/40/74/96/409407496.db2.gz GKUHOHGSAZOACL-QMMMGPOBSA-N 2 0 199.298 -0.066 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CC[NH2+][C@H](C)C1 655415420 409407499 /nfs/dbraw/zinc/40/74/99/409407499.db2.gz MYWZXWHITMXDHM-SFYZADRCSA-N 2 0 185.271 -0.585 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CC[NH2+][C@@H](C)C1 655415421 409407512 /nfs/dbraw/zinc/40/75/12/409407512.db2.gz MYWZXWHITMXDHM-YUMQZZPRSA-N 2 0 185.271 -0.585 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CCC(C[NH3+])CC1 655411993 409407517 /nfs/dbraw/zinc/40/75/17/409407517.db2.gz LDSUDWGMPXYJSF-QMMMGPOBSA-N 2 0 199.298 -0.208 20 0 ABADRP [NH3+]CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 655411877 409407538 /nfs/dbraw/zinc/40/75/38/409407538.db2.gz YRDJMKCFHBBMND-WCBMZHEXSA-N 2 0 197.282 -0.549 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[NH2+]C1 655415470 409407599 /nfs/dbraw/zinc/40/75/99/409407599.db2.gz OBEBYBDCOXLLHO-YUMQZZPRSA-N 2 0 185.271 -0.585 20 0 ABADRP O=C(CC[NH2+]C1CC1)N[C@H]1CC[NH2+]C1 655413109 409407602 /nfs/dbraw/zinc/40/76/02/409407602.db2.gz KVVMIYGKOZGRPR-VIFPVBQESA-N 2 0 197.282 -0.393 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[NH2+]1 655413701 409407610 /nfs/dbraw/zinc/40/76/10/409407610.db2.gz GDWZJODGZAJPRN-IUCAKERBSA-N 2 0 199.298 -0.147 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1C[NH3+] 655414169 409407635 /nfs/dbraw/zinc/40/76/35/409407635.db2.gz NQWACNNWSPGLKW-IUCAKERBSA-N 2 0 199.298 -0.066 20 0 ABADRP C[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH2+]C)C1 655412229 409407641 /nfs/dbraw/zinc/40/76/41/409407641.db2.gz ORWDJFARSQTPEA-YUMQZZPRSA-N 2 0 185.271 -0.585 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@@](C)(C[NH3+])C1CC1 655415375 409407665 /nfs/dbraw/zinc/40/76/65/409407665.db2.gz LZCDKEBZBKDLOJ-XVKPBYJWSA-N 2 0 199.298 -0.162 20 0 ABADRP [NH3+]CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 655411878 409407670 /nfs/dbraw/zinc/40/76/70/409407670.db2.gz YRDJMKCFHBBMND-WPRPVWTQSA-N 2 0 197.282 -0.549 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1C[NH3+] 655414168 409407671 /nfs/dbraw/zinc/40/76/71/409407671.db2.gz NQWACNNWSPGLKW-DTWKUNHWSA-N 2 0 199.298 -0.066 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1C[C@H](C)[NH2+][C@H](C)C1 655414688 409407690 /nfs/dbraw/zinc/40/76/90/409407690.db2.gz CANKVGFRXOJTLW-YIZRAAEISA-N 2 0 199.298 -0.197 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]C1 655415019 409407702 /nfs/dbraw/zinc/40/77/02/409407702.db2.gz SWROURRYCYKKGE-DTWKUNHWSA-N 2 0 199.298 -0.290 20 0 ABADRP C[NH2+]CCNC(=O)CC[NH2+]C1CC1 655415368 409407732 /nfs/dbraw/zinc/40/77/32/409407732.db2.gz CHFCFCKCJLIMDV-UHFFFAOYSA-N 2 0 185.271 -0.536 20 0 ABADRP [NH3+]CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 655411876 409407744 /nfs/dbraw/zinc/40/77/44/409407744.db2.gz YRDJMKCFHBBMND-SCZZXKLOSA-N 2 0 197.282 -0.549 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC(C)(C)C[NH3+] 655413947 409407748 /nfs/dbraw/zinc/40/77/48/409407748.db2.gz ALGHEJAAKUEEGD-LURJTMIESA-N 2 0 173.260 -0.552 20 0 ABADRP [NH3+][C@H]1CCN(C(=O)CC[NH2+]C2CC2)C1 655415784 409408271 /nfs/dbraw/zinc/40/82/71/409408271.db2.gz GQIDFVGPHVAUTP-QMMMGPOBSA-N 2 0 197.282 -0.312 20 0 ABADRP C[C@@H](CC[NH3+])NC(=O)CC[NH2+]C1CC1 655451081 409408527 /nfs/dbraw/zinc/40/85/27/409408527.db2.gz AXWXBTYBPDDVJU-QMMMGPOBSA-N 2 0 199.298 -0.018 20 0 ABADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)[NH2+]C 655417817 409408661 /nfs/dbraw/zinc/40/86/61/409408661.db2.gz RUUXNAHZKLPVFJ-IUCAKERBSA-N 2 0 199.298 -0.195 20 0 ABADRP CN(CCC[NH3+])C(=O)CC[NH2+]C1CC1 655416942 409408666 /nfs/dbraw/zinc/40/86/66/409408666.db2.gz FAYUFYHGVGFMOF-UHFFFAOYSA-N 2 0 199.298 -0.064 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[NH2+]1 655415800 409408752 /nfs/dbraw/zinc/40/87/52/409408752.db2.gz HMNGNIVPRAUPPJ-JGVFFNPUSA-N 2 0 185.271 -0.538 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NCC[NH2+]C1CC1 655416539 409408763 /nfs/dbraw/zinc/40/87/63/409408763.db2.gz XQFLAQYPBFFIRV-ZETCQYMHSA-N 2 0 185.271 -0.538 20 0 ABADRP CCC[NH2+]CCNC(=O)[C@H](C)[NH2+]C 655450081 409408782 /nfs/dbraw/zinc/40/87/82/409408782.db2.gz CFNCUHIIPOOQRM-QMMMGPOBSA-N 2 0 187.287 -0.290 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C)CC[NH3+] 655451631 409408842 /nfs/dbraw/zinc/40/88/42/409408842.db2.gz MWYTXYBMRAFBSQ-BQBZGAKWSA-N 2 0 173.260 -0.552 20 0 ABADRP CC[NH2+]CCNC(=O)CC[NH2+]C1CC1 655415783 409408909 /nfs/dbraw/zinc/40/89/09/409408909.db2.gz GOTPOAPCFAEKKC-UHFFFAOYSA-N 2 0 199.298 -0.146 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]([NH3+])C(C)C 655416757 409408914 /nfs/dbraw/zinc/40/89/14/409408914.db2.gz AFSWBBQIJZAXKG-JGVFFNPUSA-N 2 0 187.287 -0.306 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C[NH3+])C1CC1 655417130 409408971 /nfs/dbraw/zinc/40/89/71/409408971.db2.gz GVVISXHCCWWGBM-XPUUQOCRSA-N 2 0 185.271 -0.552 20 0 ABADRP C[C@@H](C[NH3+])CNC(=O)CC[NH2+]C1CC1 655450240 409409047 /nfs/dbraw/zinc/40/90/47/409409047.db2.gz HMYXXPQYFQKZMJ-QMMMGPOBSA-N 2 0 199.298 -0.161 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC[C@H](C)C[NH3+] 655450636 409409062 /nfs/dbraw/zinc/40/90/62/409409062.db2.gz VOIGYQJFGKXVIQ-RQJHMYQMSA-N 2 0 173.260 -0.695 20 0 ABADRP CC(C)([NH3+])CCC(=O)N1CC[NH2+]CC1 69633600 409409064 /nfs/dbraw/zinc/40/90/64/409409064.db2.gz JBOCQXJZNBPTAC-UHFFFAOYSA-N 2 0 199.298 -0.064 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([NH2+]C)C1 655416255 409409115 /nfs/dbraw/zinc/40/91/15/409409115.db2.gz NBPBVFZZEHNTFN-DTWKUNHWSA-N 2 0 199.298 -0.195 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@H](C[NH3+])C1CC1 655417128 409409141 /nfs/dbraw/zinc/40/91/41/409409141.db2.gz GVVISXHCCWWGBM-POYBYMJQSA-N 2 0 185.271 -0.552 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]CC1(C)C 655417841 409409301 /nfs/dbraw/zinc/40/93/01/409409301.db2.gz SDGUPZIQBKUFSI-QMMMGPOBSA-N 2 0 199.298 -0.195 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]1 655415802 409409311 /nfs/dbraw/zinc/40/93/11/409409311.db2.gz HMNGNIVPRAUPPJ-YUMQZZPRSA-N 2 0 185.271 -0.538 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1C[NH3+] 655417670 409409350 /nfs/dbraw/zinc/40/93/50/409409350.db2.gz PQTPXWKBEGKDKC-JGVFFNPUSA-N 2 0 185.271 -0.456 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC[C@H]([NH3+])C(C)C 655416759 409409464 /nfs/dbraw/zinc/40/94/64/409409464.db2.gz AFSWBBQIJZAXKG-YUMQZZPRSA-N 2 0 187.287 -0.306 20 0 ABADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)[NH2+]C 655417816 409409498 /nfs/dbraw/zinc/40/94/98/409409498.db2.gz RUUXNAHZKLPVFJ-DTWKUNHWSA-N 2 0 199.298 -0.195 20 0 ABADRP C[C@H](C[NH3+])NC(=O)CC[NH2+]C1CC1 655453166 409409538 /nfs/dbraw/zinc/40/95/38/409409538.db2.gz GFBBTTHCCBUDNC-SSDOTTSWSA-N 2 0 185.271 -0.408 20 0 ABADRP C[C@H](C[NH3+])CNC(=O)CC[NH2+]C1CC1 655450239 409409553 /nfs/dbraw/zinc/40/95/53/409409553.db2.gz HMYXXPQYFQKZMJ-MRVPVSSYSA-N 2 0 199.298 -0.161 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]([NH3+])C1CC1 655451571 409409606 /nfs/dbraw/zinc/40/96/06/409409606.db2.gz KSQQYHABZHLDCD-POYBYMJQSA-N 2 0 185.271 -0.552 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N(C)CCC[NH3+] 655417321 409409618 /nfs/dbraw/zinc/40/96/18/409409618.db2.gz HPGITUDZPXIEKM-ZETCQYMHSA-N 2 0 173.260 -0.599 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)C[NH3+] 655450633 409409655 /nfs/dbraw/zinc/40/96/55/409409655.db2.gz VOIGYQJFGKXVIQ-BQBZGAKWSA-N 2 0 173.260 -0.695 20 0 ABADRP C[NH2+][C@H]1CCCN(C(=O)[C@H](C)[NH2+]C)C1 655416256 409409732 /nfs/dbraw/zinc/40/97/32/409409732.db2.gz NBPBVFZZEHNTFN-IUCAKERBSA-N 2 0 199.298 -0.195 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@H](C)CC[NH3+] 655451634 409409744 /nfs/dbraw/zinc/40/97/44/409409744.db2.gz MWYTXYBMRAFBSQ-RQJHMYQMSA-N 2 0 173.260 -0.552 20 0 ABADRP CNC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 69626553 409409756 /nfs/dbraw/zinc/40/97/56/409409756.db2.gz QFJLAUNGQJXMNQ-VIFPVBQESA-N 2 0 199.298 -0.207 20 0 ABADRP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](CC[NH3+])C1 69626359 409409781 /nfs/dbraw/zinc/40/97/81/409409781.db2.gz HZMLAOURMUMWTE-DTWKUNHWSA-N 2 0 199.298 -0.079 20 0 ABADRP CC(C)([NH3+])CNC(=O)CC[NH2+]C1CC1 655418186 409409785 /nfs/dbraw/zinc/40/97/85/409409785.db2.gz YZGJHMMEYHKBDV-UHFFFAOYSA-N 2 0 199.298 -0.018 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]([NH3+])C1 655416394 409409804 /nfs/dbraw/zinc/40/98/04/409409804.db2.gz RUXYQFDTBGQVRQ-BQBZGAKWSA-N 2 0 171.244 -0.846 20 0 ABADRP C[C@H](CC[NH3+])NC(=O)CC[NH2+]C1CC1 655451080 409409875 /nfs/dbraw/zinc/40/98/75/409409875.db2.gz AXWXBTYBPDDVJU-MRVPVSSYSA-N 2 0 199.298 -0.018 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NCC(C)(C)[NH3+] 655416995 409409910 /nfs/dbraw/zinc/40/99/10/409409910.db2.gz CYPJARZXQBBGMC-LURJTMIESA-N 2 0 173.260 -0.552 20 0 ABADRP NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 69626477 409409941 /nfs/dbraw/zinc/40/99/41/409409941.db2.gz NSLWEDPYFMQSOT-QMMMGPOBSA-N 2 0 185.271 -0.468 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NC[C@H]([NH3+])C1CC1 655451573 409409978 /nfs/dbraw/zinc/40/99/78/409409978.db2.gz KSQQYHABZHLDCD-XPUUQOCRSA-N 2 0 185.271 -0.552 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NCC1([NH3+])CCC1 655453158 409410005 /nfs/dbraw/zinc/41/00/05/409410005.db2.gz 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/nfs/dbraw/zinc/48/80/91/409488091.db2.gz ZZAIOEOZWPFUSB-UHFFFAOYSA-N 2 0 159.233 -0.954 20 0 ABADRP [NH3+]CCNC(=O)C1(C[NH3+])CCCC1 132536765 409489161 /nfs/dbraw/zinc/48/91/61/409489161.db2.gz QWIFBJHRTFCAGU-UHFFFAOYSA-N 2 0 185.271 -0.420 20 0 ABADRP C[C@@H](CNC(=O)CC[NH3+])[NH+]1CCCC1 134108726 409499760 /nfs/dbraw/zinc/49/97/60/409499760.db2.gz NFQSTDDFCQQUFE-VIFPVBQESA-N 2 0 199.298 -0.064 20 0 ABADRP C[C@H](O)CC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 134135965 409499805 /nfs/dbraw/zinc/49/98/05/409499805.db2.gz YSISLFMNNCBFEM-LPEHRKFASA-N 2 0 184.283 -0.092 20 0 ABADRP C[C@H](CNC(=O)CC[NH3+])[NH+]1CCCC1 134108922 409499836 /nfs/dbraw/zinc/49/98/36/409499836.db2.gz NFQSTDDFCQQUFE-SECBINFHSA-N 2 0 199.298 -0.064 20 0 ABADRP C[C@H](O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 134136391 409500000 /nfs/dbraw/zinc/50/00/00/409500000.db2.gz YSISLFMNNCBFEM-IVZWLZJFSA-N 2 0 184.283 -0.092 20 0 ABADRP C[C@@H](O)CC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 134136167 409500094 /nfs/dbraw/zinc/50/00/94/409500094.db2.gz YSISLFMNNCBFEM-BBBLOLIVSA-N 2 0 184.283 -0.092 20 0 ABADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH3+] 212584651 409512118 /nfs/dbraw/zinc/51/21/18/409512118.db2.gz DCHJPQBGKLEXGF-SECBINFHSA-N 2 0 199.298 -0.064 20 0 ABADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH3+] 212584710 409512176 /nfs/dbraw/zinc/51/21/76/409512176.db2.gz DCHJPQBGKLEXGF-VIFPVBQESA-N 2 0 199.298 -0.064 20 0 ABADRP C[NH2+][C@@H]1CCN(CC[NH3+])C1 218687646 409514726 /nfs/dbraw/zinc/51/47/26/409514726.db2.gz AQXYQKZUUCUSAF-SSDOTTSWSA-N 2 0 143.234 -0.761 20 0 ABADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)C[NH3+] 659531400 409536033 /nfs/dbraw/zinc/53/60/33/409536033.db2.gz SRSOKDWWPXZMCF-RNFRBKRXSA-N 2 0 188.275 -0.759 20 0 ABADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 659344288 409528898 /nfs/dbraw/zinc/52/88/98/409528898.db2.gz WHMCZRYILLBMTJ-HRDYMLBCSA-N 2 0 197.282 -0.538 20 0 ABADRP C[C@@H]1CCN(C(=O)C(C)(C)[NH3+])C[C@@H]1[NH3+] 658973446 409524201 /nfs/dbraw/zinc/52/42/01/409524201.db2.gz QNTXCAGDGPEMMJ-SFYZADRCSA-N 2 0 199.298 -0.081 20 0 ABADRP CC(C)[NH2+]CC(=O)N1CCC[C@H]([NH3+])C1 659248633 409525339 /nfs/dbraw/zinc/52/53/39/409525339.db2.gz LGMJTUBUJCZFCZ-VIFPVBQESA-N 2 0 199.298 -0.066 20 0 ABADRP CC(C)[NH2+]CC(=O)N(C)[C@@H]1CC[NH2+]C1 659298355 409525421 /nfs/dbraw/zinc/52/54/21/409525421.db2.gz VAAQTIGAAOLHRE-SECBINFHSA-N 2 0 199.298 -0.195 20 0 ABADRP CC(C)[NH2+]CC(=O)NC[C@H]1CCC[NH2+]1 659295704 409525597 /nfs/dbraw/zinc/52/55/97/409525597.db2.gz YSNUREQBPCBBHQ-SECBINFHSA-N 2 0 199.298 -0.147 20 0 ABADRP CC(C)[NH2+]CC(=O)NC[C@@H]1CCC[NH2+]1 659295705 409525793 /nfs/dbraw/zinc/52/57/93/409525793.db2.gz YSNUREQBPCBBHQ-VIFPVBQESA-N 2 0 199.298 -0.147 20 0 ABADRP C[NH2+][C@H]1CCN(C(=O)C[NH2+]C(C)C)C1 659301543 409525949 /nfs/dbraw/zinc/52/59/49/409525949.db2.gz ZRLUGEDBEHFGBT-VIFPVBQESA-N 2 0 199.298 -0.195 20 0 ABADRP CC(C)[NH2+]CC(=O)NC(C)(C)C[NH3+] 659297484 409526319 /nfs/dbraw/zinc/52/63/19/409526319.db2.gz JFEJTFPEBSJLJB-UHFFFAOYSA-N 2 0 187.287 -0.162 20 0 ABADRP CC(C)[NH2+]CC(=O)N(C)CCC[NH3+] 659292409 409526334 /nfs/dbraw/zinc/52/63/34/409526334.db2.gz ZUVMYZQQKGPIRT-UHFFFAOYSA-N 2 0 187.287 -0.208 20 0 ABADRP CC(C)[NH2+]CC(=O)N[C@H](C[NH3+])C1CC1 659290025 409526658 /nfs/dbraw/zinc/52/66/58/409526658.db2.gz HESFUAXJFOQGFI-SECBINFHSA-N 2 0 199.298 -0.162 20 0 ABADRP CC(C)[NH2+]CC(=O)N[C@@H](C[NH3+])C1CC1 659290026 409526972 /nfs/dbraw/zinc/52/69/72/409526972.db2.gz HESFUAXJFOQGFI-VIFPVBQESA-N 2 0 199.298 -0.162 20 0 ABADRP CC(C)[NH2+]CC(=O)NCC[NH2+]C1CC1 659295541 409527455 /nfs/dbraw/zinc/52/74/55/409527455.db2.gz VALAEROGOVQJNU-UHFFFAOYSA-N 2 0 199.298 -0.147 20 0 ABADRP CC(C)[NH2+]CC(=O)N(C)[C@H]1CC[NH2+]C1 659298356 409527476 /nfs/dbraw/zinc/52/74/76/409527476.db2.gz VAAQTIGAAOLHRE-VIFPVBQESA-N 2 0 199.298 -0.195 20 0 ABADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H]([NH3+])C1 659248632 409527564 /nfs/dbraw/zinc/52/75/64/409527564.db2.gz LGMJTUBUJCZFCZ-SECBINFHSA-N 2 0 199.298 -0.066 20 0 ABADRP C[NH2+][C@@H]1CCN(C(=O)C[NH2+]C(C)C)C1 659301542 409527609 /nfs/dbraw/zinc/52/76/09/409527609.db2.gz ZRLUGEDBEHFGBT-SECBINFHSA-N 2 0 199.298 -0.195 20 0 ABADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[NH2+]C1 659303124 409527701 /nfs/dbraw/zinc/52/77/01/409527701.db2.gz LDJOCSOJIFLBNW-QMMMGPOBSA-N 2 0 185.271 -0.538 20 0 ABADRP C[C@H](C(=O)N[C@H]1CC[NH2+]C1)[C@@H](C)[NH3+] 659343513 409529752 /nfs/dbraw/zinc/52/97/52/409529752.db2.gz AVQMCVQMQNHAQF-RNJXMRFFSA-N 2 0 185.271 -0.552 20 0 ABADRP C[NH2+]C[C@H](C)NC(=O)N(C)CC[NH3+] 659643169 409539899 /nfs/dbraw/zinc/53/98/99/409539899.db2.gz PDULBTORCDPYOA-ZETCQYMHSA-N 2 0 188.275 -0.806 20 0 ABADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 659344289 409530799 /nfs/dbraw/zinc/53/07/99/409530799.db2.gz WHMCZRYILLBMTJ-VGMNWLOBSA-N 2 0 197.282 -0.538 20 0 ABADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@H]1CC[NH2+]C1 659343512 409531216 /nfs/dbraw/zinc/53/12/16/409531216.db2.gz AVQMCVQMQNHAQF-PRJMDXOYSA-N 2 0 185.271 -0.552 20 0 ABADRP C[NH2+]CCNC(=O)N[C@H](C)C[NH2+]C 659511629 409532429 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409555654 /nfs/dbraw/zinc/55/56/54/409555654.db2.gz DQGGFDXMNJYKPR-GJMOJQLCSA-N 2 0 185.271 -0.471 20 0 ABADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]([NH3+])C1 306298978 409553609 /nfs/dbraw/zinc/55/36/09/409553609.db2.gz DQGGFDXMNJYKPR-BIIVOSGPSA-N 2 0 185.271 -0.471 20 0 ABADRP CN(C(=O)C(C)(C)[NH3+])[C@H]1CC[NH2+]C1 306296993 409553648 /nfs/dbraw/zinc/55/36/48/409553648.db2.gz AZWMJIDPTPMLDZ-ZETCQYMHSA-N 2 0 185.271 -0.456 20 0 ABADRP C[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C 306291403 409554255 /nfs/dbraw/zinc/55/42/55/409554255.db2.gz RCCSKESXOYMHKU-BIIVOSGPSA-N 2 0 185.271 -0.471 20 0 ABADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[C@@H]([NH3+])C1 306298979 409554285 /nfs/dbraw/zinc/55/42/85/409554285.db2.gz DQGGFDXMNJYKPR-BWZBUEFSSA-N 2 0 185.271 -0.471 20 0 ABADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] 306294814 409554351 /nfs/dbraw/zinc/55/43/51/409554351.db2.gz WERHXIHEHMSRBJ-IWSPIJDZSA-N 2 0 199.298 -0.033 20 0 ABADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]([NH3+])C1 306295839 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ABADRP C[C@H]([NH3+])[C@@H](C)C(=O)N1CCC[C@H]([NH3+])C1 307511894 409650553 /nfs/dbraw/zinc/65/05/53/409650553.db2.gz LXCGXDRZDHRPLV-VGMNWLOBSA-N 2 0 199.298 -0.081 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 307518033 409650958 /nfs/dbraw/zinc/65/09/58/409650958.db2.gz UQZMFOHSMGOSKE-IUCAKERBSA-N 2 0 197.282 -0.584 20 0 ABADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 307511895 409651135 /nfs/dbraw/zinc/65/11/35/409651135.db2.gz LXCGXDRZDHRPLV-XHNCKOQMSA-N 2 0 199.298 -0.081 20 0 ABADRP [NH3+]C[C@H]1CN(C[C@H]2CC[NH2+]C2)CCO1 307522273 409651236 /nfs/dbraw/zinc/65/12/36/409651236.db2.gz XRPZXKNDQMICTQ-UWVGGRQHSA-N 2 0 199.298 -0.745 20 0 ABADRP [NH3+]C[C@H]1CN(C[C@@H]2CC[NH2+]C2)CCO1 307522277 409651618 /nfs/dbraw/zinc/65/16/18/409651618.db2.gz XRPZXKNDQMICTQ-ZJUUUORDSA-N 2 0 199.298 -0.745 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 307518022 409651717 /nfs/dbraw/zinc/65/17/17/409651717.db2.gz UQZMFOHSMGOSKE-DTWKUNHWSA-N 2 0 197.282 -0.584 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] 307530782 409651929 /nfs/dbraw/zinc/65/19/29/409651929.db2.gz WERHXIHEHMSRBJ-DJLDLDEBSA-N 2 0 199.298 -0.033 20 0 ABADRP [NH3+]C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CCO1 307522272 409652059 /nfs/dbraw/zinc/65/20/59/409652059.db2.gz XRPZXKNDQMICTQ-NXEZZACHSA-N 2 0 199.298 -0.745 20 0 ABADRP CC(C)(C[NH3+])NC(=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 307533115 409652195 /nfs/dbraw/zinc/65/21/95/409652195.db2.gz GYENDFXRIRIHAI-JIGDXULJSA-N 2 0 197.282 -0.695 20 0 ABADRP C[C@H]([NH3+])[C@@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 307511893 409652247 /nfs/dbraw/zinc/65/22/47/409652247.db2.gz LXCGXDRZDHRPLV-HRDYMLBCSA-N 2 0 199.298 -0.081 20 0 ABADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H]([NH3+])C1 307511892 409652274 /nfs/dbraw/zinc/65/22/74/409652274.db2.gz LXCGXDRZDHRPLV-CIUDSAMLSA-N 2 0 199.298 -0.081 20 0 ABADRP [NH3+]C[C@@H]1CN(C[C@H]2CC[NH2+]C2)CCO1 307522275 409652624 /nfs/dbraw/zinc/65/26/24/409652624.db2.gz XRPZXKNDQMICTQ-VHSXEESVSA-N 2 0 199.298 -0.745 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 307518041 409652651 /nfs/dbraw/zinc/65/26/51/409652651.db2.gz UQZMFOHSMGOSKE-RKDXNWHRSA-N 2 0 197.282 -0.584 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 307518011 409652710 /nfs/dbraw/zinc/65/27/10/409652710.db2.gz UQZMFOHSMGOSKE-BDAKNGLRSA-N 2 0 197.282 -0.584 20 0 ABADRP CC(C)([NH3+])CNC(=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 307544484 409653855 /nfs/dbraw/zinc/65/38/55/409653855.db2.gz WGCKCQMVIPSNOI-JIGDXULJSA-N 2 0 197.282 -0.695 20 0 ABADRP C[C@H]1CN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC[NH2+]1 307540992 409654025 /nfs/dbraw/zinc/65/40/25/409654025.db2.gz XCSMQFPITNZEHP-XHNCKOQMSA-N 2 0 199.298 -0.210 20 0 ABADRP C[C@H]1CN(C(=O)[C@H](C)[C@H](C)[NH3+])CC[NH2+]1 307540994 409654153 /nfs/dbraw/zinc/65/41/53/409654153.db2.gz XCSMQFPITNZEHP-YIZRAAEISA-N 2 0 199.298 -0.210 20 0 ABADRP C[C@H]1CN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC[NH2+]1 307540989 409654191 /nfs/dbraw/zinc/65/41/91/409654191.db2.gz XCSMQFPITNZEHP-CIUDSAMLSA-N 2 0 199.298 -0.210 20 0 ABADRP C[C@H]1CN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC[NH2+]1 307540991 409654440 /nfs/dbraw/zinc/65/44/40/409654440.db2.gz XCSMQFPITNZEHP-DJLDLDEBSA-N 2 0 199.298 -0.210 20 0 ABADRP C[C@H]1C[NH2+]CCN1C(=O)CC(C)(C)[NH3+] 307578511 409655835 /nfs/dbraw/zinc/65/58/35/409655835.db2.gz NWZATNXFCYNEAF-QMMMGPOBSA-N 2 0 199.298 -0.066 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH3+] 307613451 409656978 /nfs/dbraw/zinc/65/69/78/409656978.db2.gz LWPGRZCZEGTXCV-PHDIDXHHSA-N 2 0 159.233 -0.813 20 0 ABADRP C[C@@H](C[NH3+])C(=O)NC[C@@H](C)[NH3+] 307617058 409657272 /nfs/dbraw/zinc/65/72/72/409657272.db2.gz RGFYZMQSCTZGGS-NTSWFWBYSA-N 2 0 159.233 -0.955 20 0 ABADRP CC[C@H]1CN(C(=O)[C@@H](C)[NH3+])CC[C@H]1[NH3+] 307621198 409657350 /nfs/dbraw/zinc/65/73/50/409657350.db2.gz BEQCWGAOOSAMDA-HRDYMLBCSA-N 2 0 199.298 -0.081 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)[C@H](C)C[NH3+] 307617059 409657441 /nfs/dbraw/zinc/65/74/41/409657441.db2.gz RGFYZMQSCTZGGS-PHDIDXHHSA-N 2 0 159.233 -0.955 20 0 ABADRP C[C@H]([NH3+])CNC(=O)C[C@@H](C)[NH3+] 307611388 409657460 /nfs/dbraw/zinc/65/74/60/409657460.db2.gz JIPFXNMIISIHBM-RITPCOANSA-N 2 0 159.233 -0.813 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@H](C)C1 307613433 409657880 /nfs/dbraw/zinc/65/78/80/409657880.db2.gz LVRVTDASZWAVLL-HRDYMLBCSA-N 2 0 199.298 -0.020 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 307613431 409658200 /nfs/dbraw/zinc/65/82/00/409658200.db2.gz LVRVTDASZWAVLL-DJLDLDEBSA-N 2 0 199.298 -0.020 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@H](C)C[NH3+] 307617060 409658292 /nfs/dbraw/zinc/65/82/92/409658292.db2.gz RGFYZMQSCTZGGS-RITPCOANSA-N 2 0 159.233 -0.955 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 307613434 409658409 /nfs/dbraw/zinc/65/84/09/409658409.db2.gz LVRVTDASZWAVLL-IWSPIJDZSA-N 2 0 199.298 -0.020 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)C[C@@H](C)[NH3+] 307611387 409659066 /nfs/dbraw/zinc/65/90/66/409659066.db2.gz JIPFXNMIISIHBM-PHDIDXHHSA-N 2 0 159.233 -0.813 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@@H](C)C[NH3+] 307617061 409659121 /nfs/dbraw/zinc/65/91/21/409659121.db2.gz RGFYZMQSCTZGGS-WDSKDSINSA-N 2 0 159.233 -0.955 20 0 ABADRP C[C@H](C[NH3+])NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 307609199 409659290 /nfs/dbraw/zinc/65/92/90/409659290.db2.gz DPXWZRQUYFAEFW-HLTSFMKQSA-N 2 0 199.298 -0.033 20 0 ABADRP CC[C@H]1CN(C(=O)[C@@H](C)[NH3+])CC[C@@H]1[NH3+] 307621199 409659565 /nfs/dbraw/zinc/65/95/65/409659565.db2.gz BEQCWGAOOSAMDA-VGMNWLOBSA-N 2 0 199.298 -0.081 20 0 ABADRP CC[C@H]([NH3+])C(=O)NC[C@H](C)[NH3+] 307617826 409659772 /nfs/dbraw/zinc/65/97/72/409659772.db2.gz SBLUDUYLRYSKBJ-WDSKDSINSA-N 2 0 159.233 -0.813 20 0 ABADRP CC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH3+] 307617825 409659834 /nfs/dbraw/zinc/65/98/34/409659834.db2.gz SBLUDUYLRYSKBJ-RITPCOANSA-N 2 0 159.233 -0.813 20 0 ABADRP C[C@H](C[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 307609201 409660230 /nfs/dbraw/zinc/66/02/30/409660230.db2.gz DPXWZRQUYFAEFW-IWSPIJDZSA-N 2 0 199.298 -0.033 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 307613435 409660256 /nfs/dbraw/zinc/66/02/56/409660256.db2.gz LVRVTDASZWAVLL-XHNCKOQMSA-N 2 0 199.298 -0.020 20 0 ABADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 307628184 409661303 /nfs/dbraw/zinc/66/13/03/409661303.db2.gz LXCGXDRZDHRPLV-IWSPIJDZSA-N 2 0 199.298 -0.081 20 0 ABADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 307643823 409661552 /nfs/dbraw/zinc/66/15/52/409661552.db2.gz MGPGDZKPWKXMHB-DJLDLDEBSA-N 2 0 197.282 -0.456 20 0 ABADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 307643826 409661705 /nfs/dbraw/zinc/66/17/05/409661705.db2.gz MGPGDZKPWKXMHB-YIZRAAEISA-N 2 0 197.282 -0.456 20 0 ABADRP C[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H](C)[NH3+] 307628182 409662823 /nfs/dbraw/zinc/66/28/23/409662823.db2.gz LXCGXDRZDHRPLV-DJLDLDEBSA-N 2 0 199.298 -0.081 20 0 ABADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 307643825 409662833 /nfs/dbraw/zinc/66/28/33/409662833.db2.gz MGPGDZKPWKXMHB-IWSPIJDZSA-N 2 0 197.282 -0.456 20 0 ABADRP [NH3+]CCC(=O)N[C@@H]1CCC[NH2+]C1 307629515 409663008 /nfs/dbraw/zinc/66/30/08/409663008.db2.gz NDCISDZFZJHZHC-SSDOTTSWSA-N 2 0 171.244 -0.797 20 0 ABADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 307643824 409663380 /nfs/dbraw/zinc/66/33/80/409663380.db2.gz MGPGDZKPWKXMHB-HLTSFMKQSA-N 2 0 197.282 -0.456 20 0 ABADRP C[C@H]([NH3+])C(=O)N[C@H](C)CC[NH3+] 307674971 409664707 /nfs/dbraw/zinc/66/47/07/409664707.db2.gz DEILMRPONGHTKJ-RITPCOANSA-N 2 0 159.233 -0.813 20 0 ABADRP OCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 307673831 409664913 /nfs/dbraw/zinc/66/49/13/409664913.db2.gz BRSVPJAOPSVNJN-KXUCPTDWSA-N 2 0 184.283 -0.044 20 0 ABADRP C[C@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] 307666014 409664988 /nfs/dbraw/zinc/66/49/88/409664988.db2.gz BLLNKMKYJDMPIK-RITPCOANSA-N 2 0 159.233 -0.955 20 0 ABADRP OCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 307673830 409665227 /nfs/dbraw/zinc/66/52/27/409665227.db2.gz BRSVPJAOPSVNJN-IVZWLZJFSA-N 2 0 184.283 -0.044 20 0 ABADRP C[C@@H](C[NH3+])CNC(=O)[C@H](C)[NH3+] 307666015 409665314 /nfs/dbraw/zinc/66/53/14/409665314.db2.gz BLLNKMKYJDMPIK-WDSKDSINSA-N 2 0 159.233 -0.955 20 0 ABADRP C[C@H](C[NH3+])CNC(=O)[C@@H](C)[NH3+] 307666013 409665575 /nfs/dbraw/zinc/66/55/75/409665575.db2.gz BLLNKMKYJDMPIK-PHDIDXHHSA-N 2 0 159.233 -0.955 20 0 ABADRP C[C@@H](C[NH3+])CNC(=O)[C@@H](C)[NH3+] 307666012 409666259 /nfs/dbraw/zinc/66/62/59/409666259.db2.gz BLLNKMKYJDMPIK-NTSWFWBYSA-N 2 0 159.233 -0.955 20 0 ABADRP OCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 307673834 409666468 /nfs/dbraw/zinc/66/64/68/409666468.db2.gz BRSVPJAOPSVNJN-LPEHRKFASA-N 2 0 184.283 -0.044 20 0 ABADRP C[C@@H](CC[NH3+])NC(=O)[C@H](C)[NH3+] 307674972 409666655 /nfs/dbraw/zinc/66/66/55/409666655.db2.gz DEILMRPONGHTKJ-WDSKDSINSA-N 2 0 159.233 -0.813 20 0 ABADRP OCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 307673835 409666668 /nfs/dbraw/zinc/66/66/68/409666668.db2.gz BRSVPJAOPSVNJN-OPRDCNLKSA-N 2 0 184.283 -0.044 20 0 ABADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1([NH3+])CC1 307748840 409669112 /nfs/dbraw/zinc/66/91/12/409669112.db2.gz DIOSRYIYFGMJRD-HTQZYQBOSA-N 2 0 197.282 -0.266 20 0 ABADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1([NH3+])CC1 307748841 409669128 /nfs/dbraw/zinc/66/91/28/409669128.db2.gz DIOSRYIYFGMJRD-JGVFFNPUSA-N 2 0 197.282 -0.266 20 0 ABADRP CN(CCC[NH3+])C1C[NH2+]C1 307736626 409669161 /nfs/dbraw/zinc/66/91/61/409669161.db2.gz SKHCILHZACPNGC-UHFFFAOYSA-N 2 0 143.234 -0.761 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+][C@H]1C 307748800 409669214 /nfs/dbraw/zinc/66/92/14/409669214.db2.gz DEVLBPOWLLLWPB-BIIVOSGPSA-N 2 0 185.271 -0.552 20 0 ABADRP C[C@H](C[NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1 307753461 409669239 /nfs/dbraw/zinc/66/92/39/409669239.db2.gz VWANTEOILYUWAE-HLTSFMKQSA-N 2 0 197.282 -0.741 20 0 ABADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1([NH3+])CC1 307748842 409669287 /nfs/dbraw/zinc/66/92/87/409669287.db2.gz DIOSRYIYFGMJRD-SFYZADRCSA-N 2 0 197.282 -0.266 20 0 ABADRP 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ABADRP CC(C)[C@H]([NH3+])CNC(=O)C[NH3+] 307736106 409669819 /nfs/dbraw/zinc/66/98/19/409669819.db2.gz ZBVXZYACWSYVDE-ZCFIWIBFSA-N 2 0 159.233 -0.955 20 0 ABADRP C[C@H]1CN(C(=O)[C@H](C)C[NH3+])C[C@@H](C)[NH2+]1 307748397 409670204 /nfs/dbraw/zinc/67/02/04/409670204.db2.gz BPMXHZJVHYPEMN-HLTSFMKQSA-N 2 0 199.298 -0.210 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@H]1CC[NH2+][C@@H]1C 307748802 409670445 /nfs/dbraw/zinc/67/04/45/409670445.db2.gz DEVLBPOWLLLWPB-RNJXMRFFSA-N 2 0 185.271 -0.552 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1 307753462 409670467 /nfs/dbraw/zinc/67/04/67/409670467.db2.gz VWANTEOILYUWAE-XHNCKOQMSA-N 2 0 197.282 -0.741 20 0 ABADRP C[C@H]1CN(C(=O)C[C@@H](C)[NH3+])C[C@@H](C)[NH2+]1 307749106 409670637 /nfs/dbraw/zinc/67/06/37/409670637.db2.gz FIZLDBWBOLSAIT-HLTSFMKQSA-N 2 0 199.298 -0.068 20 0 ABADRP CC(C)[C@@H]([NH3+])CNC(=O)C[NH3+] 307736105 409670933 /nfs/dbraw/zinc/67/09/33/409670933.db2.gz ZBVXZYACWSYVDE-LURJTMIESA-N 2 0 159.233 -0.955 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@H]1CC[NH2+][C@H]1C 307748801 409671043 /nfs/dbraw/zinc/67/10/43/409671043.db2.gz DEVLBPOWLLLWPB-FXQIFTODSA-N 2 0 185.271 -0.552 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)[C@@]1(C)CCC[NH2+]C1 307760984 409672589 /nfs/dbraw/zinc/67/25/89/409672589.db2.gz XSLGFMQFNVHXEN-SCZZXKLOSA-N 2 0 199.298 -0.161 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@@]1(C)CCC[NH2+]C1 307760986 409672439 /nfs/dbraw/zinc/67/24/39/409672439.db2.gz XSLGFMQFNVHXEN-WPRPVWTQSA-N 2 0 199.298 -0.161 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)[C@]1(C)CCC[NH2+]C1 307760983 409672578 /nfs/dbraw/zinc/67/25/78/409672578.db2.gz XSLGFMQFNVHXEN-PSASIEDQSA-N 2 0 199.298 -0.161 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@]1(C)CCC[NH2+]C1 307760985 409673349 /nfs/dbraw/zinc/67/33/49/409673349.db2.gz XSLGFMQFNVHXEN-WCBMZHEXSA-N 2 0 199.298 -0.161 20 0 ABADRP C[NH2+]CCC(=O)N[C@H](C)C[NH3+] 308074069 409679637 /nfs/dbraw/zinc/67/96/37/409679637.db2.gz DISABRXADWRHAL-ZCFIWIBFSA-N 2 0 159.233 -0.941 20 0 ABADRP C[NH2+]CCCN(C)[C@H](C)C[NH3+] 308093857 409683066 /nfs/dbraw/zinc/68/30/66/409683066.db2.gz WEPXPQGRCCMLEJ-MRVPVSSYSA-N 2 0 159.277 -0.125 20 0 ABADRP C[NH2+]CCCN(C)[C@@H](C)C[NH3+] 308093858 409684190 /nfs/dbraw/zinc/68/41/90/409684190.db2.gz WEPXPQGRCCMLEJ-QMMMGPOBSA-N 2 0 159.277 -0.125 20 0 ABADRP CC[C@H]([NH3+])C(=O)NCC[NH2+]C 308089545 409684934 /nfs/dbraw/zinc/68/49/34/409684934.db2.gz RXYFUYVKPHYSOX-LURJTMIESA-N 2 0 159.233 -0.941 20 0 ABADRP C[NH2+]CCNC(=O)[C@@H](C)[C@H](C)[NH3+] 308155011 409686496 /nfs/dbraw/zinc/68/64/96/409686496.db2.gz AFYPCKSAYJANCQ-BQBZGAKWSA-N 2 0 173.260 -0.695 20 0 ABADRP C[NH2+]CCNC(=O)[C@H](C)[C@H](C)[NH3+] 308155014 409686786 /nfs/dbraw/zinc/68/67/86/409686786.db2.gz AFYPCKSAYJANCQ-RQJHMYQMSA-N 2 0 173.260 -0.695 20 0 ABADRP C[NH2+]CCNC(=O)[C@H](C)[C@@H](C)[NH3+] 308155013 409686953 /nfs/dbraw/zinc/68/69/53/409686953.db2.gz AFYPCKSAYJANCQ-RNFRBKRXSA-N 2 0 173.260 -0.695 20 0 ABADRP CC[NH2+]CCCNC(=O)C[NH3+] 308137468 409687089 /nfs/dbraw/zinc/68/70/89/409687089.db2.gz FEQLAOZMRDJHBD-UHFFFAOYSA-N 2 0 159.233 -0.939 20 0 ABADRP C[C@@H]([NH3+])CN(CCO)C1CC1 308139971 409687215 /nfs/dbraw/zinc/68/72/15/409687215.db2.gz GQJOWNSXTVFMAG-SSDOTTSWSA-N 2 0 158.245 -0.210 20 0 ABADRP CN(CC[NH3+])[C@H](C[NH3+])C1CC1 308139561 409687948 /nfs/dbraw/zinc/68/79/48/409687948.db2.gz GMGSEKABCDDKDV-MRVPVSSYSA-N 2 0 157.261 -0.386 20 0 ABADRP C[C@H](CCC[NH3+])NC(=O)C[NH+](C)C 308142860 409688190 /nfs/dbraw/zinc/68/81/90/409688190.db2.gz MKKSEPXINLUKRU-MRVPVSSYSA-N 2 0 187.287 -0.208 20 0 ABADRP C[NH2+]CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] 308155012 409688395 /nfs/dbraw/zinc/68/83/95/409688395.db2.gz AFYPCKSAYJANCQ-NKWVEPMBSA-N 2 0 173.260 -0.695 20 0 ABADRP C[C@H](C[NH3+])NC(=O)CC(C)(C)[NH3+] 308157819 409688492 /nfs/dbraw/zinc/68/84/92/409688492.db2.gz BZYUTEXTPUANHN-ZCFIWIBFSA-N 2 0 173.260 -0.423 20 0 ABADRP CN(CC[NH3+])[C@@H](C[NH3+])C1CC1 308139562 409688895 /nfs/dbraw/zinc/68/88/95/409688895.db2.gz GMGSEKABCDDKDV-QMMMGPOBSA-N 2 0 157.261 -0.386 20 0 ABADRP C[NH2+]CCNC(=O)C(C)(C)C[NH3+] 308159296 409688913 /nfs/dbraw/zinc/68/89/13/409688913.db2.gz CWMAHBFGNIAPAK-UHFFFAOYSA-N 2 0 173.260 -0.693 20 0 ABADRP C[C@@H](C[NH3+])CNC(=O)CC[NH3+] 308159165 409689423 /nfs/dbraw/zinc/68/94/23/409689423.db2.gz QLZYNBIAQQEQPX-LURJTMIESA-N 2 0 159.233 -0.954 20 0 ABADRP C[C@H]([NH3+])CN(CCO)C1CC1 308139972 409689520 /nfs/dbraw/zinc/68/95/20/409689520.db2.gz GQJOWNSXTVFMAG-ZETCQYMHSA-N 2 0 158.245 -0.210 20 0 ABADRP [NH3+]CCC(=O)N[C@@H](C[NH3+])C1CC1 308157329 409689580 /nfs/dbraw/zinc/68/95/80/409689580.db2.gz BRPIYQWICFEBNM-ZETCQYMHSA-N 2 0 171.244 -0.811 20 0 ABADRP C[C@@H](CCC[NH3+])NC(=O)C[NH+](C)C 308142862 409689635 /nfs/dbraw/zinc/68/96/35/409689635.db2.gz MKKSEPXINLUKRU-QMMMGPOBSA-N 2 0 187.287 -0.208 20 0 ABADRP [NH3+]CCC(=O)N[C@H](C[NH3+])C1CC1 308157328 409689708 /nfs/dbraw/zinc/68/97/08/409689708.db2.gz BRPIYQWICFEBNM-SSDOTTSWSA-N 2 0 171.244 -0.811 20 0 ABADRP C[N@H+](CCC[NH3+])CCOCC[NH3+] 308159726 409689784 /nfs/dbraw/zinc/68/97/84/409689784.db2.gz DCOJAMFWPDWTRJ-UHFFFAOYSA-N 2 0 175.276 -0.758 20 0 ABADRP C[C@H](C[NH3+])CNC(=O)CC[NH3+] 308159166 409689805 /nfs/dbraw/zinc/68/98/05/409689805.db2.gz QLZYNBIAQQEQPX-ZCFIWIBFSA-N 2 0 159.233 -0.954 20 0 ABADRP C[C@@H]([NH3+])C(=O)NCC[NH2+]C1CC1 308184268 409691174 /nfs/dbraw/zinc/69/11/74/409691174.db2.gz IJDYGSIQITWJAX-ZCFIWIBFSA-N 2 0 171.244 -0.798 20 0 ABADRP CC[NH2+]CCNC(=O)[C@@H](C)[NH3+] 308174304 409691216 /nfs/dbraw/zinc/69/12/16/409691216.db2.gz YJRNNYVQISDDIC-ZCFIWIBFSA-N 2 0 159.233 -0.941 20 0 ABADRP C[NH2+]CC(=O)NC[C@@H]([NH3+])C1CC1 308179988 409691754 /nfs/dbraw/zinc/69/17/54/409691754.db2.gz FTNINRRPEFMJNB-SSDOTTSWSA-N 2 0 171.244 -0.941 20 0 ABADRP CC[NH2+]CCNC(=O)[C@H](C)[NH3+] 308174302 409691782 /nfs/dbraw/zinc/69/17/82/409691782.db2.gz YJRNNYVQISDDIC-LURJTMIESA-N 2 0 159.233 -0.941 20 0 ABADRP C[NH2+]CCC(=O)NC(C)(C)C[NH3+] 308179426 409691840 /nfs/dbraw/zinc/69/18/40/409691840.db2.gz FLSKULYRZPQTDY-UHFFFAOYSA-N 2 0 173.260 -0.551 20 0 ABADRP C[NH2+]CCNC(=O)CC(C)(C)[NH3+] 308184212 409692157 /nfs/dbraw/zinc/69/21/57/409692157.db2.gz IDVXMJHQBLAQKB-UHFFFAOYSA-N 2 0 173.260 -0.551 20 0 ABADRP CC(C)[C@@](C)(C[NH3+])NCC[NH3+] 308176134 409692359 /nfs/dbraw/zinc/69/23/59/409692359.db2.gz ZGCTVQJPEDDVKF-MRVPVSSYSA-N 2 0 159.277 -0.092 20 0 ABADRP [NH3+]CCC(=O)NCC1([NH3+])CCC1 308183797 409692424 /nfs/dbraw/zinc/69/24/24/409692424.db2.gz IAEMXFZTJVAMKS-UHFFFAOYSA-N 2 0 171.244 -0.667 20 0 ABADRP C[C@@H]([NH3+])C(=O)N(C)CCC[NH3+] 308170656 409692500 /nfs/dbraw/zinc/69/25/00/409692500.db2.gz WNWZJKUUCMOGPJ-ZCFIWIBFSA-N 2 0 159.233 -0.859 20 0 ABADRP C[NH2+]CC(=O)NC[C@H]([NH3+])C1CC1 308179991 409692552 /nfs/dbraw/zinc/69/25/52/409692552.db2.gz FTNINRRPEFMJNB-ZETCQYMHSA-N 2 0 171.244 -0.941 20 0 ABADRP CC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] 308185379 409692641 /nfs/dbraw/zinc/69/26/41/409692641.db2.gz IUSUWCHEUQSJOB-RQJHMYQMSA-N 2 0 173.260 -0.565 20 0 ABADRP CC[NH2+][C@H](C)CNC(=O)CC[NH3+] 308183271 409692664 /nfs/dbraw/zinc/69/26/64/409692664.db2.gz HUTTUTNJRVGKPY-SSDOTTSWSA-N 2 0 173.260 -0.551 20 0 ABADRP CC[C@@H]([NH3+])C(=O)NCC[NH2+]C 308162106 409693190 /nfs/dbraw/zinc/69/31/90/409693190.db2.gz RXYFUYVKPHYSOX-ZCFIWIBFSA-N 2 0 159.233 -0.941 20 0 ABADRP C[NH2+]CCCC(=O)N[C@H](C)C[NH3+] 308178593 409693218 /nfs/dbraw/zinc/69/32/18/409693218.db2.gz DYFLIRXMGNHHIC-SSDOTTSWSA-N 2 0 173.260 -0.551 20 0 ABADRP CC(C)[C@](C)(C[NH3+])NCC[NH3+] 308176135 409693416 /nfs/dbraw/zinc/69/34/16/409693416.db2.gz ZGCTVQJPEDDVKF-QMMMGPOBSA-N 2 0 159.277 -0.092 20 0 ABADRP C[NH2+]CC(=O)NCC1([NH3+])CCC1 308184937 409693830 /nfs/dbraw/zinc/69/38/30/409693830.db2.gz IMTDGWCZGVAEOJ-UHFFFAOYSA-N 2 0 171.244 -0.797 20 0 ABADRP CC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] 308185378 409693981 /nfs/dbraw/zinc/69/39/81/409693981.db2.gz IUSUWCHEUQSJOB-BQBZGAKWSA-N 2 0 173.260 -0.565 20 0 ABADRP C[NH2+]C[C@@H](C)NC(=O)CC[NH3+] 662952018 409764017 /nfs/dbraw/zinc/76/40/17/409764017.db2.gz BLMDRFJFGPRQBD-ZCFIWIBFSA-N 2 0 159.233 -0.941 20 0 ABADRP CC[C@@H]([NH3+])C(=O)NC(C)(C)C[NH3+] 308189424 409695093 /nfs/dbraw/zinc/69/50/93/409695093.db2.gz MIRUFQJXVJRTQS-ZCFIWIBFSA-N 2 0 173.260 -0.423 20 0 ABADRP CN(CCC[NH3+])C(=O)C(C)(C)[NH3+] 308202674 409695152 /nfs/dbraw/zinc/69/51/52/409695152.db2.gz ZTAHBRJOZVDFGQ-UHFFFAOYSA-N 2 0 173.260 -0.469 20 0 ABADRP CC[C@H]([NH3+])C(=O)N[C@H](C)CC[NH3+] 308190813 409695348 /nfs/dbraw/zinc/69/53/48/409695348.db2.gz NRIHQHFSMDACOG-RQJHMYQMSA-N 2 0 173.260 -0.423 20 0 ABADRP CN(C)C(=O)CC[NH2+]CC(C)(C)[NH3+] 308196975 409695513 /nfs/dbraw/zinc/69/55/13/409695513.db2.gz NEPQDFKZXLLMTI-UHFFFAOYSA-N 2 0 187.287 -0.208 20 0 ABADRP CC[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH3+] 308190808 409695565 /nfs/dbraw/zinc/69/55/65/409695565.db2.gz NRIHQHFSMDACOG-BQBZGAKWSA-N 2 0 173.260 -0.423 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N(C)[C@H](C)C[NH3+] 308198904 409695780 /nfs/dbraw/zinc/69/57/80/409695780.db2.gz WCTULRHASGYRDM-RNFRBKRXSA-N 2 0 173.260 -0.471 20 0 ABADRP C[NH2+]CC(=O)NC[C@@H]([NH3+])C(C)C 308192258 409695815 /nfs/dbraw/zinc/69/58/15/409695815.db2.gz PDDNTCWIQBEJDV-SSDOTTSWSA-N 2 0 173.260 -0.695 20 0 ABADRP C[NH2+]CC(=O)N[C@H](C[NH3+])C1CC1 308195638 409695859 /nfs/dbraw/zinc/69/58/59/409695859.db2.gz RZVUDIVWODRNAA-SSDOTTSWSA-N 2 0 171.244 -0.941 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N(C)CCC[NH3+] 308198002 409696085 /nfs/dbraw/zinc/69/60/85/409696085.db2.gz VEFXWULLEZZVEY-SSDOTTSWSA-N 2 0 173.260 -0.469 20 0 ABADRP CC[C@H]([NH3+])C(=O)NC(C)(C)C[NH3+] 308189423 409696107 /nfs/dbraw/zinc/69/61/07/409696107.db2.gz MIRUFQJXVJRTQS-LURJTMIESA-N 2 0 173.260 -0.423 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH3+] 308190811 409696314 /nfs/dbraw/zinc/69/63/14/409696314.db2.gz NRIHQHFSMDACOG-RNFRBKRXSA-N 2 0 173.260 -0.423 20 0 ABADRP [NH3+]CCC(=O)NC[C@H]([NH3+])C1CC1 308187501 409696548 /nfs/dbraw/zinc/69/65/48/409696548.db2.gz KNBZFORFCWNLEV-ZETCQYMHSA-N 2 0 171.244 -0.811 20 0 ABADRP C[NH2+]CC(=O)N[C@@H](C[NH3+])C1CC1 308195640 409696651 /nfs/dbraw/zinc/69/66/51/409696651.db2.gz RZVUDIVWODRNAA-ZETCQYMHSA-N 2 0 171.244 -0.941 20 0 ABADRP CC[NH2+]CCCNC(=O)[C@H](C)[NH3+] 308202838 409696730 /nfs/dbraw/zinc/69/67/30/409696730.db2.gz AKEPHGLJHXIQQI-ZETCQYMHSA-N 2 0 173.260 -0.551 20 0 ABADRP C[NH2+]CCCC(=O)NCC[NH2+]C 308193025 409696791 /nfs/dbraw/zinc/69/67/91/409696791.db2.gz PPGZFWOBXPTHRN-UHFFFAOYSA-N 2 0 173.260 -0.678 20 0 ABADRP [NH3+]CCC(=O)NC[C@@H]([NH3+])C1CC1 308187499 409696912 /nfs/dbraw/zinc/69/69/12/409696912.db2.gz KNBZFORFCWNLEV-SSDOTTSWSA-N 2 0 171.244 -0.811 20 0 ABADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH3+] 308190875 409696938 /nfs/dbraw/zinc/69/69/38/409696938.db2.gz NSBJDXMEAXZQPA-RNFRBKRXSA-N 2 0 173.260 -0.552 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C[NH3+] 308198903 409697044 /nfs/dbraw/zinc/69/70/44/409697044.db2.gz WCTULRHASGYRDM-NKWVEPMBSA-N 2 0 173.260 -0.471 20 0 ABADRP C[NH2+]CC(=O)NC[C@H]([NH3+])C(C)C 308192260 409697308 /nfs/dbraw/zinc/69/73/08/409697308.db2.gz PDDNTCWIQBEJDV-ZETCQYMHSA-N 2 0 173.260 -0.695 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH3+] 308190810 409697551 /nfs/dbraw/zinc/69/75/51/409697551.db2.gz NRIHQHFSMDACOG-NKWVEPMBSA-N 2 0 173.260 -0.423 20 0 ABADRP CC(C)(C[NH3+])NC(=O)CCC[NH3+] 308300163 409706227 /nfs/dbraw/zinc/70/62/27/409706227.db2.gz JYRVQEJCLMMOGB-UHFFFAOYSA-N 2 0 173.260 -0.421 20 0 ABADRP C[C@@H]([NH3+])CC(=O)N(C)[C@H](C)C[NH3+] 308292509 409706945 /nfs/dbraw/zinc/70/69/45/409706945.db2.gz FZHAXRWUHQETMQ-RNFRBKRXSA-N 2 0 173.260 -0.471 20 0 ABADRP C[NH2+]C[C@H]1CCCN(CC[NH3+])C1 308288127 409707114 /nfs/dbraw/zinc/70/71/14/409707114.db2.gz ADJLMIJSHJSWQJ-SECBINFHSA-N 2 0 171.288 -0.124 20 0 ABADRP C[C@H](C(=O)N[C@H](C)C[NH3+])[C@@H](C)[NH3+] 308302685 409707419 /nfs/dbraw/zinc/70/74/19/409707419.db2.gz LTRJVRFFXVOHRC-DSYKOEDSSA-N 2 0 173.260 -0.567 20 0 ABADRP C[C@H]([NH3+])[C@@H](C)C(=O)N[C@H](C)C[NH3+] 308302689 409707706 /nfs/dbraw/zinc/70/77/06/409707706.db2.gz LTRJVRFFXVOHRC-QYNIQEEDSA-N 2 0 173.260 -0.567 20 0 ABADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@@H](C)[NH3+] 308292515 409707855 /nfs/dbraw/zinc/70/78/55/409707855.db2.gz FZHAXRWUHQETMQ-RQJHMYQMSA-N 2 0 173.260 -0.471 20 0 ABADRP C[C@H](C[NH3+])NC(=O)[C@H](C)[C@@H](C)[NH3+] 308302687 409708045 /nfs/dbraw/zinc/70/80/45/409708045.db2.gz LTRJVRFFXVOHRC-FSDSQADBSA-N 2 0 173.260 -0.567 20 0 ABADRP C[NH2+]C[C@@H]1CCCN(CC[NH3+])C1 308288134 409708143 /nfs/dbraw/zinc/70/81/43/409708143.db2.gz ADJLMIJSHJSWQJ-VIFPVBQESA-N 2 0 171.288 -0.124 20 0 ABADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H](C)C[NH3+] 308302690 409708285 /nfs/dbraw/zinc/70/82/85/409708285.db2.gz LTRJVRFFXVOHRC-VQVTYTSYSA-N 2 0 173.260 -0.567 20 0 ABADRP CN(CCOCC[NH3+])CC(C)(C)[NH3+] 662292972 409710082 /nfs/dbraw/zinc/71/00/82/409710082.db2.gz CWTUXCPKQLCBIQ-UHFFFAOYSA-N 2 0 189.303 -0.369 20 0 ABADRP CC[NH2+]CCNC(=O)CCC[NH3+] 308379474 409713379 /nfs/dbraw/zinc/71/33/79/409713379.db2.gz PPEUPXHBTLNREE-UHFFFAOYSA-N 2 0 173.260 -0.549 20 0 ABADRP CC(C)[NH2+]CCCNC(=O)C[NH3+] 308376376 409713392 /nfs/dbraw/zinc/71/33/92/409713392.db2.gz NYMMDKGMFVVSAX-UHFFFAOYSA-N 2 0 173.260 -0.551 20 0 ABADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H](C)C[NH3+] 308386502 409713495 /nfs/dbraw/zinc/71/34/95/409713495.db2.gz UWXGZRGVBJAPQC-RQJHMYQMSA-N 2 0 173.260 -0.613 20 0 ABADRP C[NH2+]CCCN(C)[C@@H]1CC[NH2+]C1 308377863 409713514 /nfs/dbraw/zinc/71/35/14/409713514.db2.gz OQOVKAQIVZLURH-SECBINFHSA-N 2 0 171.288 -0.110 20 0 ABADRP CC[NH2+]CCNC(=O)[C@H]([NH3+])CC 308386046 409713538 /nfs/dbraw/zinc/71/35/38/409713538.db2.gz UKRXMCUHJDKADK-SSDOTTSWSA-N 2 0 173.260 -0.551 20 0 ABADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C)[NH3+] 308363071 409713714 /nfs/dbraw/zinc/71/37/14/409713714.db2.gz FPIJEUYFJIINDE-RNFRBKRXSA-N 2 0 173.260 -0.567 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@@H](C)[C@H](C)[NH3+] 308363687 409713789 /nfs/dbraw/zinc/71/37/89/409713789.db2.gz FYGKWEGQQBXCFI-ACZMJKKPSA-N 2 0 173.260 -0.567 20 0 ABADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C)[NH3+] 308363072 409713923 /nfs/dbraw/zinc/71/39/23/409713923.db2.gz FPIJEUYFJIINDE-RQJHMYQMSA-N 2 0 173.260 -0.567 20 0 ABADRP C[C@@H]([NH3+])CC(=O)NC(C)(C)C[NH3+] 308367412 409714001 /nfs/dbraw/zinc/71/40/01/409714001.db2.gz IOBHMHOAXIPGGU-ZCFIWIBFSA-N 2 0 173.260 -0.423 20 0 ABADRP C[C@@H](C[NH3+])C(=O)NC(C)(C)C[NH3+] 308384869 409714153 /nfs/dbraw/zinc/71/41/53/409714153.db2.gz SWSRVKODBVIDGR-LURJTMIESA-N 2 0 173.260 -0.565 20 0 ABADRP C[NH2+]CCCN1CC[C@@H]([NH2+]C)C1 308391817 409714164 /nfs/dbraw/zinc/71/41/64/409714164.db2.gz YTHQRMCCWKGOIO-SECBINFHSA-N 2 0 171.288 -0.110 20 0 ABADRP C[C@@H]([NH3+])CC(=O)NC[C@H](C)C[NH3+] 308390192 409714220 /nfs/dbraw/zinc/71/42/20/409714220.db2.gz XQLFKMLHUHKZGQ-RNFRBKRXSA-N 2 0 173.260 -0.565 20 0 ABADRP C[C@H](C[NH3+])C(=O)N(C)[C@H](C)C[NH3+] 308386501 409714243 /nfs/dbraw/zinc/71/42/43/409714243.db2.gz UWXGZRGVBJAPQC-RNFRBKRXSA-N 2 0 173.260 -0.613 20 0 ABADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] 308367999 409714384 /nfs/dbraw/zinc/71/43/84/409714384.db2.gz IUSUWCHEUQSJOB-NKWVEPMBSA-N 2 0 173.260 -0.565 20 0 ABADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[NH3+] 308387009 409714416 /nfs/dbraw/zinc/71/44/16/409714416.db2.gz VERQSHHRUAYEHY-ZETCQYMHSA-N 2 0 173.260 -0.565 20 0 ABADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H](C)[NH3+] 308363070 409714438 /nfs/dbraw/zinc/71/44/38/409714438.db2.gz FPIJEUYFJIINDE-NKWVEPMBSA-N 2 0 173.260 -0.567 20 0 ABADRP C[C@@H](C[NH3+])CNC(=O)C(C)(C)[NH3+] 308388682 409714633 /nfs/dbraw/zinc/71/46/33/409714633.db2.gz WSACXTJVWUBICW-LURJTMIESA-N 2 0 173.260 -0.565 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N(C)[C@H](C)C[NH3+] 308386500 409714707 /nfs/dbraw/zinc/71/47/07/409714707.db2.gz UWXGZRGVBJAPQC-NKWVEPMBSA-N 2 0 173.260 -0.613 20 0 ABADRP CC[NH2+]CCNC(=O)[C@H]1CC[NH2+]1 308375035 409714866 /nfs/dbraw/zinc/71/48/66/409714866.db2.gz NAPCZWTYEFVXPI-SSDOTTSWSA-N 2 0 171.244 -0.926 20 0 ABADRP C[C@H](C[NH3+])CNC(=O)C(C)(C)[NH3+] 308388872 409714982 /nfs/dbraw/zinc/71/49/82/409714982.db2.gz WSACXTJVWUBICW-ZCFIWIBFSA-N 2 0 173.260 -0.565 20 0 ABADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H](C)[NH3+] 308363069 409715005 /nfs/dbraw/zinc/71/50/05/409715005.db2.gz FPIJEUYFJIINDE-BQBZGAKWSA-N 2 0 173.260 -0.567 20 0 ABADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[NH3+] 308355059 409715173 /nfs/dbraw/zinc/71/51/73/409715173.db2.gz AVZDYDYKSCPPQB-MRVPVSSYSA-N 2 0 173.260 -0.565 20 0 ABADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1CC[NH2+]1 308381767 409715194 /nfs/dbraw/zinc/71/51/94/409715194.db2.gz QTQBHIRVPCPQMB-NKWVEPMBSA-N 2 0 171.244 -0.798 20 0 ABADRP CC[NH2+]CCNC(=O)CC[NH2+]C 308385921 409715298 /nfs/dbraw/zinc/71/52/98/409715298.db2.gz UJKRGCAPODCMIB-UHFFFAOYSA-N 2 0 173.260 -0.678 20 0 ABADRP C[C@@H](C[NH3+])N(C)CCOCC[NH3+] 308388646 409715375 /nfs/dbraw/zinc/71/53/75/409715375.db2.gz WPXGRMWJAYGUHZ-QMMMGPOBSA-N 3 0 175.276 -0.759 20 0 ABADRP C[NH2+]CCCN1CC[C@H]([NH2+]C)C1 308391824 409715442 /nfs/dbraw/zinc/71/54/42/409715442.db2.gz YTHQRMCCWKGOIO-VIFPVBQESA-N 2 0 171.288 -0.110 20 0 ABADRP C[NH2+]CCCN(C)[C@H]1CC[NH2+]C1 308377864 409715909 /nfs/dbraw/zinc/71/59/09/409715909.db2.gz OQOVKAQIVZLURH-VIFPVBQESA-N 2 0 171.288 -0.110 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N(C)[C@@H](C)C[NH3+] 308386499 409715890 /nfs/dbraw/zinc/71/58/90/409715890.db2.gz UWXGZRGVBJAPQC-BQBZGAKWSA-N 2 0 173.260 -0.613 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@H](C)[C@H](C)[NH3+] 308363690 409716002 /nfs/dbraw/zinc/71/60/02/409716002.db2.gz FYGKWEGQQBXCFI-XVMARJQXSA-N 2 0 173.260 -0.567 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@H](C)[C@@H](C)[NH3+] 308363689 409716041 /nfs/dbraw/zinc/71/60/41/409716041.db2.gz FYGKWEGQQBXCFI-RRKCRQDMSA-N 2 0 173.260 -0.567 20 0 ABADRP C[C@@H](C[NH3+])CNC(=O)C[C@@H](C)[NH3+] 308390191 409716101 /nfs/dbraw/zinc/71/61/01/409716101.db2.gz XQLFKMLHUHKZGQ-NKWVEPMBSA-N 2 0 173.260 -0.565 20 0 ABADRP C[C@H](C[NH3+])C(=O)NC(C)(C)C[NH3+] 308384870 409716154 /nfs/dbraw/zinc/71/61/54/409716154.db2.gz SWSRVKODBVIDGR-ZCFIWIBFSA-N 2 0 173.260 -0.565 20 0 ABADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1CC[NH2+]1 308371430 409716216 /nfs/dbraw/zinc/71/62/16/409716216.db2.gz LAXWYPSDWKYDQG-NKWVEPMBSA-N 2 0 171.244 -0.941 20 0 ABADRP CC[NH2+]CCCNC(=O)C[NH2+]C 308377016 409716418 /nfs/dbraw/zinc/71/64/18/409716418.db2.gz OKVDWESDCXCZIU-UHFFFAOYSA-N 2 0 173.260 -0.678 20 0 ABADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])CC 308386050 409716467 /nfs/dbraw/zinc/71/64/67/409716467.db2.gz UKRXMCUHJDKADK-ZETCQYMHSA-N 2 0 173.260 -0.551 20 0 ABADRP CC(C)C[C@H](C[NH3+])NC(=O)C[NH3+] 308387008 409716496 /nfs/dbraw/zinc/71/64/96/409716496.db2.gz VERQSHHRUAYEHY-SSDOTTSWSA-N 2 0 173.260 -0.565 20 0 ABADRP CCC[NH2+]CCNC(=O)CC[NH3+] 308358482 409716509 /nfs/dbraw/zinc/71/65/09/409716509.db2.gz BTXNMVAQEQVACN-UHFFFAOYSA-N 2 0 173.260 -0.549 20 0 ABADRP C[C@H](CC[NH3+])NC(=O)[C@H]1CC[NH2+]1 308381772 409716518 /nfs/dbraw/zinc/71/65/18/409716518.db2.gz QTQBHIRVPCPQMB-RNFRBKRXSA-N 2 0 171.244 -0.798 20 0 ABADRP C[C@@H]([NH3+])CC(=O)NCC(C)(C)[NH3+] 308379428 409716527 /nfs/dbraw/zinc/71/65/27/409716527.db2.gz PKYUJPHOMCTRBJ-ZCFIWIBFSA-N 2 0 173.260 -0.423 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@@H](C)[C@@H](C)[NH3+] 308363688 409716582 /nfs/dbraw/zinc/71/65/82/409716582.db2.gz FYGKWEGQQBXCFI-LYFYHCNISA-N 2 0 173.260 -0.567 20 0 ABADRP CC[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] 308368001 409716613 /nfs/dbraw/zinc/71/66/13/409716613.db2.gz IUSUWCHEUQSJOB-RNFRBKRXSA-N 2 0 173.260 -0.565 20 0 ABADRP C[C@H](C[NH3+])N(C)CCOCC[NH3+] 308388644 409716676 /nfs/dbraw/zinc/71/66/76/409716676.db2.gz WPXGRMWJAYGUHZ-MRVPVSSYSA-N 3 0 175.276 -0.759 20 0 ABADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[NH3+] 308355672 409716707 /nfs/dbraw/zinc/71/67/07/409716707.db2.gz AVZDYDYKSCPPQB-QMMMGPOBSA-N 2 0 173.260 -0.565 20 0 ABADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CC[NH2+]1 308371438 409716772 /nfs/dbraw/zinc/71/67/72/409716772.db2.gz LAXWYPSDWKYDQG-RNFRBKRXSA-N 2 0 171.244 -0.941 20 0 ABADRP CC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH3+] 308397985 409718078 /nfs/dbraw/zinc/71/80/78/409718078.db2.gz GMMMAELSHSQJIC-ZCFIWIBFSA-N 2 0 173.260 -0.423 20 0 ABADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H](C)[NH3+] 308392489 409718607 /nfs/dbraw/zinc/71/86/07/409718607.db2.gz ZJXJVWMKRQMAAQ-NKWVEPMBSA-N 2 0 173.260 -0.567 20 0 ABADRP [NH3+]CCNC(=O)CC[C@@H]1CCC[NH2+]1 308397980 409718672 /nfs/dbraw/zinc/71/86/72/409718672.db2.gz GMFZPMXDSMMVOQ-QMMMGPOBSA-N 2 0 185.271 -0.407 20 0 ABADRP CC(C)C[NH2+]C[C@H]1C[NH2+]C[C@H]1O 308396333 409718680 /nfs/dbraw/zinc/71/86/80/409718680.db2.gz DSWWEHFJOZRZII-DTWKUNHWSA-N 2 0 172.272 -0.188 20 0 ABADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H](C)[NH3+] 308392482 409718897 /nfs/dbraw/zinc/71/88/97/409718897.db2.gz ZJXJVWMKRQMAAQ-BQBZGAKWSA-N 2 0 173.260 -0.567 20 0 ABADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](C)[NH3+] 308392504 409718959 /nfs/dbraw/zinc/71/89/59/409718959.db2.gz ZJXJVWMKRQMAAQ-RQJHMYQMSA-N 2 0 173.260 -0.567 20 0 ABADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH3+] 308392496 409719067 /nfs/dbraw/zinc/71/90/67/409719067.db2.gz ZJXJVWMKRQMAAQ-RNFRBKRXSA-N 2 0 173.260 -0.567 20 0 ABADRP CC[C@H]([NH3+])C(=O)NCC(C)(C)[NH3+] 308397984 409720530 /nfs/dbraw/zinc/72/05/30/409720530.db2.gz GMMMAELSHSQJIC-LURJTMIESA-N 2 0 173.260 -0.423 20 0 ABADRP CC[C@H]([NH3+])C(=O)N(C)[C@H](C)C[NH3+] 308425259 409721935 /nfs/dbraw/zinc/72/19/35/409721935.db2.gz WCTULRHASGYRDM-RQJHMYQMSA-N 2 0 173.260 -0.471 20 0 ABADRP CC[C@H]([NH3+])C(=O)N(C)[C@@H](C)C[NH3+] 308424964 409722414 /nfs/dbraw/zinc/72/24/14/409722414.db2.gz WCTULRHASGYRDM-BQBZGAKWSA-N 2 0 173.260 -0.471 20 0 ABADRP CC(C)[C@H]([NH3+])CNC(=O)CCC[NH3+] 308501640 409725897 /nfs/dbraw/zinc/72/58/97/409725897.db2.gz GXIWHQIBEDBZPS-MRVPVSSYSA-N 2 0 187.287 -0.175 20 0 ABADRP [NH3+]CCOCC[N@@H+]1CC[C@H](C[NH3+])C1 308501286 409726100 /nfs/dbraw/zinc/72/61/00/409726100.db2.gz GRTJZMXRGNFGDO-SECBINFHSA-N 3 0 187.287 -0.758 20 0 ABADRP CN(CCOCC[NH3+])[C@H]1CC[NH2+]C1 308495876 409726178 /nfs/dbraw/zinc/72/61/78/409726178.db2.gz ACZRJJJRSLTXTN-VIFPVBQESA-N 2 0 187.287 -0.745 20 0 ABADRP [NH3+]CCCC(=O)N[C@@H]1CCC[NH2+]C1 308491726 409726225 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ACZRJJJRSLTXTN-SECBINFHSA-N 2 0 187.287 -0.745 20 0 ABADRP [NH3+]CCOCCN1CCC[C@@H]1C[NH3+] 308495979 409727034 /nfs/dbraw/zinc/72/70/34/409727034.db2.gz DFEFDVXZDLGCMH-SECBINFHSA-N 2 0 187.287 -0.615 20 0 ABADRP [NH3+]CCC(=O)NC1(C[NH3+])CCCC1 308487750 409727169 /nfs/dbraw/zinc/72/71/69/409727169.db2.gz ANWWXDOZXJJKPP-UHFFFAOYSA-N 2 0 185.271 -0.277 20 0 ABADRP C[C@@H]([NH3+])C(=O)NCC[NH2+]C(C)(C)C 308505137 409727178 /nfs/dbraw/zinc/72/71/78/409727178.db2.gz IHTORYHSVLPFSS-SSDOTTSWSA-N 2 0 187.287 -0.162 20 0 ABADRP CC(C)[C@@H]([NH3+])CNC(=O)CCC[NH3+] 308501641 409727322 /nfs/dbraw/zinc/72/73/22/409727322.db2.gz GXIWHQIBEDBZPS-QMMMGPOBSA-N 2 0 187.287 -0.175 20 0 ABADRP CCC[NH2+]CCNC(=O)CCC[NH3+] 308492715 409727387 /nfs/dbraw/zinc/72/73/87/409727387.db2.gz ANLZVSDEAWRZJJ-UHFFFAOYSA-N 2 0 187.287 -0.159 20 0 ABADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H](C)[NH3+] 308490125 409727454 /nfs/dbraw/zinc/72/74/54/409727454.db2.gz BHKZCMQIDMEMHT-YUMQZZPRSA-N 2 0 187.287 -0.033 20 0 ABADRP 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662424158 409733938 /nfs/dbraw/zinc/73/39/38/409733938.db2.gz PJENGHWTSNHGFA-UHFFFAOYSA-N 2 0 187.287 -0.162 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H]1C[NH3+] 662424047 409733946 /nfs/dbraw/zinc/73/39/46/409733946.db2.gz MUGRFICWQTYZCB-RKDXNWHRSA-N 2 0 199.298 -0.066 20 0 ABADRP C[NH2+]C[C@@H](C)C(=O)NCC(C)(C)[NH3+] 308557389 409733960 /nfs/dbraw/zinc/73/39/60/409733960.db2.gz BWSWSCVEPVNGJM-SSDOTTSWSA-N 2 0 187.287 -0.305 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C[NH3+])C1CC1 662421307 409734021 /nfs/dbraw/zinc/73/40/21/409734021.db2.gz LZXZLWBMRBSQFL-DTWKUNHWSA-N 2 0 199.298 -0.162 20 0 ABADRP C[NH2+]CCCC(=O)NCC(C)(C)[NH3+] 308558694 409734028 /nfs/dbraw/zinc/73/40/28/409734028.db2.gz CUJPDMSLONLXGK-UHFFFAOYSA-N 2 0 187.287 -0.161 20 0 ABADRP C[NH2+]CC(=O)N[C@](C)(C[NH3+])C(C)C 308558736 409734098 /nfs/dbraw/zinc/73/40/98/409734098.db2.gz CWFCXPIYLVHSFB-SECBINFHSA-N 2 0 187.287 -0.305 20 0 ABADRP C[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC[NH2+]1 662418782 409734155 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/nfs/dbraw/zinc/73/44/96/409734496.db2.gz YJMZXTWLYUNVIE-LJGSYFOKSA-N 2 0 185.271 -0.423 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C[NH3+])C1CC1 662421306 409734518 /nfs/dbraw/zinc/73/45/18/409734518.db2.gz LZXZLWBMRBSQFL-BDAKNGLRSA-N 2 0 199.298 -0.162 20 0 ABADRP C[C@@H](C(=O)N[C@H](C)C[NH3+])[NH+](C)C 308527898 409734521 /nfs/dbraw/zinc/73/45/21/409734521.db2.gz RCIXQNFOQBWPTE-RQJHMYQMSA-N 2 0 173.260 -0.600 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)N1CC[NH2+][C@H](C)C1 662419311 409734538 /nfs/dbraw/zinc/73/45/38/409734538.db2.gz YZQYSRFCSUSFIL-RKDXNWHRSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)NCC(C)(C)[NH3+] 662423838 409734625 /nfs/dbraw/zinc/73/46/25/409734625.db2.gz LINXBRPJRYAGKT-ZETCQYMHSA-N 2 0 187.287 -0.162 20 0 ABADRP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CC[NH2+]C1 662414505 409734649 /nfs/dbraw/zinc/73/46/49/409734649.db2.gz AETGVYPXRQDRSP-CIUDSAMLSA-N 2 0 197.282 -0.456 20 0 ABADRP CC(C)[NH2+]CC(=O)N(C)[C@H](C)C[NH3+] 662418745 409734656 /nfs/dbraw/zinc/73/46/56/409734656.db2.gz SNZGFTIBHUXQPL-MRVPVSSYSA-N 2 0 187.287 -0.210 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)NC(C)(C)C[NH3+] 662409868 409734679 /nfs/dbraw/zinc/73/46/79/409734679.db2.gz FPBIXDKTYWKXCG-SSDOTTSWSA-N 2 0 187.287 -0.162 20 0 ABADRP CC[NH2+]CCNC(=O)[C@H]1C[C@H]([NH3+])C1 662409412 409734697 /nfs/dbraw/zinc/73/46/97/409734697.db2.gz LONPVNRGFSAXHJ-ZKCHVHJHSA-N 2 0 185.271 -0.551 20 0 ABADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H]1C[NH3+] 662426095 409734722 /nfs/dbraw/zinc/73/47/22/409734722.db2.gz SLRCUZFEIRTFNS-SECBINFHSA-N 2 0 199.298 -0.066 20 0 ABADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 662412387 409734751 /nfs/dbraw/zinc/73/47/51/409734751.db2.gz QCLNBAYSDJIPSZ-IWSPIJDZSA-N 2 0 197.282 -0.408 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)N(C)[C@H]1CC[NH2+]C1 662415684 409734887 /nfs/dbraw/zinc/73/48/87/409734887.db2.gz VPNVXASSCOCMBQ-DTWKUNHWSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)N(C)CCC[NH3+] 662420042 409734933 /nfs/dbraw/zinc/73/49/33/409734933.db2.gz CCMMXRGFWLQYTC-QMMMGPOBSA-N 2 0 187.287 -0.208 20 0 ABADRP [NH3+][C@H]1C[C@H](C(=O)NCC[NH2+]C2CC2)C1 662412288 409734940 /nfs/dbraw/zinc/73/49/40/409734940.db2.gz OSGLOJKROUCVIX-ZKCHVHJHSA-N 2 0 197.282 -0.408 20 0 ABADRP CC(C)[NH2+]CC(=O)N1CC[NH2+][C@@H](C)C1 662417167 409734952 /nfs/dbraw/zinc/73/49/52/409734952.db2.gz DZOASTOQCBGJJG-VIFPVBQESA-N 2 0 199.298 -0.195 20 0 ABADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1C[C@H]([NH3+])C1 662418157 409734998 /nfs/dbraw/zinc/73/49/98/409734998.db2.gz QLIUBQDTPMUGDY-FXQIFTODSA-N 2 0 185.271 -0.471 20 0 ABADRP CC(C)[NH2+]CC(=O)N(C)[C@@H](C)C[NH3+] 662418746 409735019 /nfs/dbraw/zinc/73/50/19/409735019.db2.gz SNZGFTIBHUXQPL-QMMMGPOBSA-N 2 0 187.287 -0.210 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[NH2+]C1 662415686 409735036 /nfs/dbraw/zinc/73/50/36/409735036.db2.gz VPNVXASSCOCMBQ-RKDXNWHRSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)N(C)[C@H](C)C[NH3+] 662416807 409735102 /nfs/dbraw/zinc/73/51/02/409735102.db2.gz BPJJHQCHEOVWHY-HTQZYQBOSA-N 2 0 187.287 -0.210 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CCC[NH2+]1 662411214 409735140 /nfs/dbraw/zinc/73/51/40/409735140.db2.gz GTPLVMJKSNBLCW-RKDXNWHRSA-N 2 0 199.298 -0.147 20 0 ABADRP CC[NH2+]CCNC(=O)C[NH2+]C(C)C 662409508 409735146 /nfs/dbraw/zinc/73/51/46/409735146.db2.gz NRCXJEJBXQASCZ-UHFFFAOYSA-N 2 0 187.287 -0.290 20 0 ABADRP CC(C)[NH2+]CC(=O)N1CC[NH2+][C@H](C)C1 662417166 409735215 /nfs/dbraw/zinc/73/52/15/409735215.db2.gz DZOASTOQCBGJJG-SECBINFHSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)N1CC[NH2+][C@H](C)C1 662419308 409735236 /nfs/dbraw/zinc/73/52/36/409735236.db2.gz YZQYSRFCSUSFIL-BDAKNGLRSA-N 2 0 199.298 -0.195 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C[NH3+])C1CC1 662421309 409735247 /nfs/dbraw/zinc/73/52/47/409735247.db2.gz LZXZLWBMRBSQFL-RKDXNWHRSA-N 2 0 199.298 -0.162 20 0 ABADRP C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC[NH2+]1 662418783 409735287 /nfs/dbraw/zinc/73/52/87/409735287.db2.gz UEGAQCMQMWQTRK-IWSPIJDZSA-N 2 0 197.282 -0.456 20 0 ABADRP CN(CCC[NH3+])C(=O)[C@H]1C[C@H]([NH3+])C1 662422654 409735338 /nfs/dbraw/zinc/73/53/38/409735338.db2.gz YJBHQJIGFUGGDY-ZKCHVHJHSA-N 2 0 185.271 -0.469 20 0 ABADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H](C)CC[NH3+] 308583176 409735742 /nfs/dbraw/zinc/73/57/42/409735742.db2.gz QIHMXNSSRKYYTN-CSMHCCOUSA-N 2 0 187.287 -0.177 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)C[C@H]1CCC[NH2+]1 308576669 409735873 /nfs/dbraw/zinc/73/58/73/409735873.db2.gz NAJWTLVOVOKMRC-HTQZYQBOSA-N 2 0 185.271 -0.408 20 0 ABADRP CC(C)[NH2+]CCC(=O)N[C@H](C)C[NH3+] 308561287 409735938 /nfs/dbraw/zinc/73/59/38/409735938.db2.gz FKIIIXHSPYDAKN-MRVPVSSYSA-N 2 0 187.287 -0.162 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 308581276 409735945 /nfs/dbraw/zinc/73/59/45/409735945.db2.gz PGLCDCSXAOESHJ-YUMQZZPRSA-N 2 0 185.271 -0.599 20 0 ABADRP CCCN(C(=O)C[NH3+])[C@@H]1CC[NH2+]C1 308587714 409735973 /nfs/dbraw/zinc/73/59/73/409735973.db2.gz SYMMURNTARGERP-MRVPVSSYSA-N 2 0 185.271 -0.454 20 0 ABADRP C[C@H]([NH3+])CNC(=O)C[C@H]1CCC[NH2+]1 308576670 409736032 /nfs/dbraw/zinc/73/60/32/409736032.db2.gz NAJWTLVOVOKMRC-JGVFFNPUSA-N 2 0 185.271 -0.408 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 308581273 409736088 /nfs/dbraw/zinc/73/60/88/409736088.db2.gz PGLCDCSXAOESHJ-HTQZYQBOSA-N 2 0 185.271 -0.599 20 0 ABADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C[NH3+] 308577037 409736855 /nfs/dbraw/zinc/73/68/55/409736855.db2.gz NDHPJOOENDIEPP-VIFPVBQESA-N 2 0 187.287 -0.175 20 0 ABADRP C[C@H]([NH3+])[C@@H](C)C(=O)N[C@H](C)CC[NH3+] 308583181 409736608 /nfs/dbraw/zinc/73/66/08/409736608.db2.gz QIHMXNSSRKYYTN-PRJMDXOYSA-N 2 0 187.287 -0.177 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 308581275 409736643 /nfs/dbraw/zinc/73/66/43/409736643.db2.gz PGLCDCSXAOESHJ-SFYZADRCSA-N 2 0 185.271 -0.599 20 0 ABADRP C[C@H](C(=O)N[C@H](C)CC[NH3+])[C@@H](C)[NH3+] 308583179 409736673 /nfs/dbraw/zinc/73/66/73/409736673.db2.gz QIHMXNSSRKYYTN-GJMOJQLCSA-N 2 0 187.287 -0.177 20 0 ABADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C[NH3+] 308577036 409736694 /nfs/dbraw/zinc/73/66/94/409736694.db2.gz NDHPJOOENDIEPP-SECBINFHSA-N 2 0 187.287 -0.175 20 0 ABADRP C[NH2+]CCCC(=O)NC[C@@H](C)C[NH3+] 308569148 409736777 /nfs/dbraw/zinc/73/67/77/409736777.db2.gz JHDFRZGBIFYNKK-QMMMGPOBSA-N 2 0 187.287 -0.303 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)C[C@@H]1CCC[NH2+]1 308576671 409737157 /nfs/dbraw/zinc/73/71/57/409737157.db2.gz NAJWTLVOVOKMRC-SFYZADRCSA-N 2 0 185.271 -0.408 20 0 ABADRP C[C@H](CC[NH3+])NC(=O)[C@H](C)[C@@H](C)[NH3+] 308583170 409737216 /nfs/dbraw/zinc/73/72/16/409737216.db2.gz QIHMXNSSRKYYTN-BWZBUEFSSA-N 2 0 187.287 -0.177 20 0 ABADRP C[NH2+]CCCC(=O)NC[C@H](C)C[NH3+] 308569147 409737504 /nfs/dbraw/zinc/73/75/04/409737504.db2.gz JHDFRZGBIFYNKK-MRVPVSSYSA-N 2 0 187.287 -0.303 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 308581274 409737711 /nfs/dbraw/zinc/73/77/11/409737711.db2.gz PGLCDCSXAOESHJ-JGVFFNPUSA-N 2 0 185.271 -0.599 20 0 ABADRP C[C@H]([NH3+])CNC(=O)C[C@@H]1CCC[NH2+]1 308576672 409737722 /nfs/dbraw/zinc/73/77/22/409737722.db2.gz NAJWTLVOVOKMRC-YUMQZZPRSA-N 2 0 185.271 -0.408 20 0 ABADRP CCCN(C(=O)C[NH3+])[C@H]1CC[NH2+]C1 308587715 409737742 /nfs/dbraw/zinc/73/77/42/409737742.db2.gz SYMMURNTARGERP-QMMMGPOBSA-N 2 0 185.271 -0.454 20 0 ABADRP C[C@H](C[NH3+])C(=O)NCC1([NH3+])CCC1 308569218 409737926 /nfs/dbraw/zinc/73/79/26/409737926.db2.gz JJHRZEPEHDNBJY-SSDOTTSWSA-N 2 0 185.271 -0.421 20 0 ABADRP C[C@@H](C[NH3+])C(=O)NCC1([NH3+])CCC1 308569220 409737959 /nfs/dbraw/zinc/73/79/59/409737959.db2.gz JJHRZEPEHDNBJY-ZETCQYMHSA-N 2 0 185.271 -0.421 20 0 ABADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[NH3+] 308597701 409739128 /nfs/dbraw/zinc/73/91/28/409739128.db2.gz ZPSLJYPQMCKCTP-QMMMGPOBSA-N 2 0 187.287 -0.223 20 0 ABADRP C[NH2+]CCCNC(=O)[C@H](C)[C@@H](C)[NH3+] 308603220 409739153 /nfs/dbraw/zinc/73/91/53/409739153.db2.gz BDWICCXZLVIMSU-HTQZYQBOSA-N 2 0 187.287 -0.305 20 0 ABADRP CC(C)[NH2+]CCCNC(=O)CC[NH3+] 308592442 409739332 /nfs/dbraw/zinc/73/93/32/409739332.db2.gz WHFGRDUTDFSRRS-UHFFFAOYSA-N 2 0 187.287 -0.161 20 0 ABADRP C[NH2+]CC(=O)N[C@@H](C[NH3+])CC(C)C 308594981 409739426 /nfs/dbraw/zinc/73/94/26/409739426.db2.gz YBDXQONRQGCFPK-MRVPVSSYSA-N 2 0 187.287 -0.305 20 0 ABADRP CC(C)[C@H]([NH3+])C(=O)NCC(C)(C)[NH3+] 308594845 409739604 /nfs/dbraw/zinc/73/96/04/409739604.db2.gz XZTNFVLKWUCGBS-ZETCQYMHSA-N 2 0 187.287 -0.177 20 0 ABADRP C[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] 308600646 409739692 /nfs/dbraw/zinc/73/96/92/409739692.db2.gz APMLURSFYRJPQC-SSDOTTSWSA-N 2 0 187.287 -0.223 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C 662515887 409739729 /nfs/dbraw/zinc/73/97/29/409739729.db2.gz ZARYCGXNAPPVCT-CIUDSAMLSA-N 2 0 199.298 -0.197 20 0 ABADRP CC(C)[NH2+]CC(=O)NCC1([NH3+])CCC1 662514041 409739876 /nfs/dbraw/zinc/73/98/76/409739876.db2.gz CZDIBVFSYNKHDG-UHFFFAOYSA-N 2 0 199.298 -0.018 20 0 ABADRP C[NH2+]CCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] 308603224 409739894 /nfs/dbraw/zinc/73/98/94/409739894.db2.gz BDWICCXZLVIMSU-JGVFFNPUSA-N 2 0 187.287 -0.305 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C 662515888 409739905 /nfs/dbraw/zinc/73/99/05/409739905.db2.gz ZARYCGXNAPPVCT-HLTSFMKQSA-N 2 0 199.298 -0.197 20 0 ABADRP CC(C)[C@@H]([NH3+])C(=O)NCC(C)(C)[NH3+] 308594843 409740173 /nfs/dbraw/zinc/74/01/73/409740173.db2.gz XZTNFVLKWUCGBS-SSDOTTSWSA-N 2 0 187.287 -0.177 20 0 ABADRP C[NH2+]CC(=O)N[C@H](C[NH3+])CC(C)C 308594982 409740274 /nfs/dbraw/zinc/74/02/74/409740274.db2.gz YBDXQONRQGCFPK-QMMMGPOBSA-N 2 0 187.287 -0.305 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)NCC1([NH3+])CCC1 662513737 409740310 /nfs/dbraw/zinc/74/03/10/409740310.db2.gz FPVQPUTWRICKCU-QMMMGPOBSA-N 2 0 199.298 -0.018 20 0 ABADRP CC(C)[C@@H]([NH3+])C(=O)N(C)CCC[NH3+] 308590588 409740339 /nfs/dbraw/zinc/74/03/39/409740339.db2.gz VCMKUQQGFIKYCY-MRVPVSSYSA-N 2 0 187.287 -0.223 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 308600477 409740378 /nfs/dbraw/zinc/74/03/78/409740378.db2.gz AOMMMZADOQSEOI-YUMQZZPRSA-N 2 0 185.271 -0.599 20 0 ABADRP CC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH3+] 308603336 409740440 /nfs/dbraw/zinc/74/04/40/409740440.db2.gz BFDZOCSXWFTDLO-SSDOTTSWSA-N 2 0 187.287 -0.162 20 0 ABADRP C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 308600464 409740462 /nfs/dbraw/zinc/74/04/62/409740462.db2.gz AOMMMZADOQSEOI-HTQZYQBOSA-N 2 0 185.271 -0.599 20 0 ABADRP C[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 308600474 409740598 /nfs/dbraw/zinc/74/05/98/409740598.db2.gz AOMMMZADOQSEOI-SFYZADRCSA-N 2 0 185.271 -0.599 20 0 ABADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H](C)[NH3+] 308603630 409740628 /nfs/dbraw/zinc/74/06/28/409740628.db2.gz BHKZCMQIDMEMHT-JGVFFNPUSA-N 2 0 187.287 -0.033 20 0 ABADRP C[NH2+]CCCNC(=O)[C@@H](C)[C@H](C)[NH3+] 308603232 409740661 /nfs/dbraw/zinc/74/06/61/409740661.db2.gz BDWICCXZLVIMSU-YUMQZZPRSA-N 2 0 187.287 -0.305 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C 662515889 409740837 /nfs/dbraw/zinc/74/08/37/409740837.db2.gz ZARYCGXNAPPVCT-VGMNWLOBSA-N 2 0 199.298 -0.197 20 0 ABADRP CC(C)([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 308595061 409740883 /nfs/dbraw/zinc/74/08/83/409740883.db2.gz YHDCEUWKJDAKQB-SSDOTTSWSA-N 2 0 185.271 -0.423 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)NCC[NH+](C)C 662516274 409740911 /nfs/dbraw/zinc/74/09/11/409740911.db2.gz CXTOUFCPCXHDTB-QMMMGPOBSA-N 2 0 187.287 -0.338 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C 662515890 409741022 /nfs/dbraw/zinc/74/10/22/409741022.db2.gz ZARYCGXNAPPVCT-YIZRAAEISA-N 2 0 199.298 -0.197 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)NCC[NH+](C)C 662516273 409741114 /nfs/dbraw/zinc/74/11/14/409741114.db2.gz CXTOUFCPCXHDTB-MRVPVSSYSA-N 2 0 187.287 -0.338 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)NCC1([NH3+])CCC1 662513736 409741165 /nfs/dbraw/zinc/74/11/65/409741165.db2.gz FPVQPUTWRICKCU-MRVPVSSYSA-N 2 0 199.298 -0.018 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 308600470 409741200 /nfs/dbraw/zinc/74/12/00/409741200.db2.gz AOMMMZADOQSEOI-JGVFFNPUSA-N 2 0 185.271 -0.599 20 0 ABADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[NH3+] 308597700 409741423 /nfs/dbraw/zinc/74/14/23/409741423.db2.gz ZPSLJYPQMCKCTP-MRVPVSSYSA-N 2 0 187.287 -0.223 20 0 ABADRP CC(C)([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 308595062 409741489 /nfs/dbraw/zinc/74/14/89/409741489.db2.gz YHDCEUWKJDAKQB-ZETCQYMHSA-N 2 0 185.271 -0.423 20 0 ABADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H](C)[NH3+] 308603627 409741545 /nfs/dbraw/zinc/74/15/45/409741545.db2.gz BHKZCMQIDMEMHT-HTQZYQBOSA-N 2 0 187.287 -0.033 20 0 ABADRP C[NH2+]CCCNC(=O)[C@H](C)[C@H](C)[NH3+] 308603228 409741661 /nfs/dbraw/zinc/74/16/61/409741661.db2.gz BDWICCXZLVIMSU-SFYZADRCSA-N 2 0 187.287 -0.305 20 0 ABADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1CCC[C@@H]1[NH3+] 662550628 409742870 /nfs/dbraw/zinc/74/28/70/409742870.db2.gz DVSZVCWWOVMBHJ-YIZRAAEISA-N 2 0 199.298 -0.033 20 0 ABADRP CC(C)[NH2+]CC(=O)NC[C@@H](C)C[NH3+] 662549566 409742492 /nfs/dbraw/zinc/74/24/92/409742492.db2.gz QWBDUNNONSNJDK-QMMMGPOBSA-N 2 0 187.287 -0.305 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)[NH3+] 662558744 409742456 /nfs/dbraw/zinc/74/24/56/409742456.db2.gz JSEQDBOAEKAFHF-NKWVEPMBSA-N 2 0 173.260 -0.552 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 662551789 409742471 /nfs/dbraw/zinc/74/24/71/409742471.db2.gz PBAMDZBGHJQRLK-HRDYMLBCSA-N 2 0 199.298 -0.210 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 662551788 409742509 /nfs/dbraw/zinc/74/25/09/409742509.db2.gz PBAMDZBGHJQRLK-CIUDSAMLSA-N 2 0 199.298 -0.210 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)CC[NH3+] 662550639 409742522 /nfs/dbraw/zinc/74/25/22/409742522.db2.gz FAYCIACAIQHQQM-SFYZADRCSA-N 2 0 187.287 -0.162 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C 662549607 409742530 /nfs/dbraw/zinc/74/25/30/409742530.db2.gz SNAZGBLNJPCACD-XHNCKOQMSA-N 2 0 199.298 -0.210 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)[NH3+] 662558746 409742570 /nfs/dbraw/zinc/74/25/70/409742570.db2.gz JSEQDBOAEKAFHF-RQJHMYQMSA-N 2 0 173.260 -0.552 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]([NH3+])C1CC1 662550607 409742594 /nfs/dbraw/zinc/74/25/94/409742594.db2.gz JPGDOBHQBSEKQT-DTWKUNHWSA-N 2 0 199.298 -0.162 20 0 ABADRP C[NH2+]C[C@H](C)C(=O)N(C)CCC[NH3+] 308643355 409742666 /nfs/dbraw/zinc/74/26/66/409742666.db2.gz GAWWNEFTCLCKQF-QMMMGPOBSA-N 2 0 187.287 -0.351 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)C[NH3+] 662548452 409742802 /nfs/dbraw/zinc/74/28/02/409742802.db2.gz FKJXSNVZRZKWFE-HTQZYQBOSA-N 2 0 187.287 -0.305 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1C[C@H](C[NH3+])C[C@H]1C 662549606 409742717 /nfs/dbraw/zinc/74/27/17/409742717.db2.gz SNAZGBLNJPCACD-VGMNWLOBSA-N 2 0 199.298 -0.210 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 662551792 409742791 /nfs/dbraw/zinc/74/27/91/409742791.db2.gz PBAMDZBGHJQRLK-XHNCKOQMSA-N 2 0 199.298 -0.210 20 0 ABADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1CCC[NH2+]1 308643803 409742808 /nfs/dbraw/zinc/74/28/08/409742808.db2.gz GJALWBVNPNLJFV-YUMQZZPRSA-N 2 0 185.271 -0.408 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 662551791 409742821 /nfs/dbraw/zinc/74/28/21/409742821.db2.gz PBAMDZBGHJQRLK-VGMNWLOBSA-N 2 0 199.298 -0.210 20 0 ABADRP CC[NH2+]CCCNC(=O)[C@H](C)C[NH3+] 308644568 409742931 /nfs/dbraw/zinc/74/29/31/409742931.db2.gz GWZPCHNKPSENHV-MRVPVSSYSA-N 2 0 187.287 -0.303 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 662556116 409742967 /nfs/dbraw/zinc/74/29/67/409742967.db2.gz LVCIVOQOFNQKTF-XHNCKOQMSA-N 2 0 199.298 -0.020 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C 662549604 409743012 /nfs/dbraw/zinc/74/30/12/409743012.db2.gz SNAZGBLNJPCACD-CIUDSAMLSA-N 2 0 199.298 -0.210 20 0 ABADRP C[C@@H](C[NH3+])N(C)C(=O)CC(C)(C)[NH3+] 308638014 409743021 /nfs/dbraw/zinc/74/30/21/409743021.db2.gz CZSJLIUZSKWCOR-ZETCQYMHSA-N 2 0 187.287 -0.081 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] 662559702 409743024 /nfs/dbraw/zinc/74/30/24/409743024.db2.gz ZSXLVVPQZZDDIF-PRJMDXOYSA-N 2 0 185.271 -0.423 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)C[NH2+]CC1CC1 308634695 409743038 /nfs/dbraw/zinc/74/30/38/409743038.db2.gz BZUAWXJDIMADOD-SSDOTTSWSA-N 2 0 185.271 -0.551 20 0 ABADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1CCC[NH2+]1 308643801 409744008 /nfs/dbraw/zinc/74/40/08/409744008.db2.gz GJALWBVNPNLJFV-JGVFFNPUSA-N 2 0 185.271 -0.408 20 0 ABADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] 662549555 409743073 /nfs/dbraw/zinc/74/30/73/409743073.db2.gz QBDCAVZCTHDKEM-YIZRAAEISA-N 2 0 199.298 -0.175 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 662556115 409743081 /nfs/dbraw/zinc/74/30/81/409743081.db2.gz LVCIVOQOFNQKTF-DJLDLDEBSA-N 2 0 199.298 -0.020 20 0 ABADRP CC[NH2+]CCNC(=O)CC(C)(C)[NH3+] 308638107 409743116 /nfs/dbraw/zinc/74/31/16/409743116.db2.gz DAPIRVMKEYYPPG-UHFFFAOYSA-N 2 0 187.287 -0.161 20 0 ABADRP C[NH2+][C@H]1CCCN(C(=O)CC[NH3+])C1 308647934 409743191 /nfs/dbraw/zinc/74/31/91/409743191.db2.gz ISBOKOUWHGJVSE-QMMMGPOBSA-N 2 0 185.271 -0.454 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C 662549605 409743199 /nfs/dbraw/zinc/74/31/99/409743199.db2.gz SNAZGBLNJPCACD-HRDYMLBCSA-N 2 0 199.298 -0.210 20 0 ABADRP C[C@H](CC[NH3+])NC(=O)[C@H]1CCC[NH2+]1 308643800 409743228 /nfs/dbraw/zinc/74/32/28/409743228.db2.gz GJALWBVNPNLJFV-HTQZYQBOSA-N 2 0 185.271 -0.408 20 0 ABADRP CC[NH2+][C@H](C)CNC(=O)CCC[NH3+] 308646791 409743233 /nfs/dbraw/zinc/74/32/33/409743233.db2.gz IAXRNFTZSWWXME-MRVPVSSYSA-N 2 0 187.287 -0.161 20 0 ABADRP CC(C)[NH2+]CC(=O)NC[C@H](C)[NH3+] 662559016 409743243 /nfs/dbraw/zinc/74/32/43/409743243.db2.gz OTDDKLPFSRSZJY-ZETCQYMHSA-N 2 0 173.260 -0.552 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 662556114 409743262 /nfs/dbraw/zinc/74/32/62/409743262.db2.gz LVCIVOQOFNQKTF-CIUDSAMLSA-N 2 0 199.298 -0.020 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 662562819 409743338 /nfs/dbraw/zinc/74/33/38/409743338.db2.gz QFJLGYNMUJQVGH-CIUDSAMLSA-N 2 0 199.298 -0.149 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]([NH3+])C1CC1 662550608 409743355 /nfs/dbraw/zinc/74/33/55/409743355.db2.gz JPGDOBHQBSEKQT-IUCAKERBSA-N 2 0 199.298 -0.162 20 0 ABADRP C[C@@](C[NH3+])(NC(=O)CC[NH3+])C1CC1 308653715 409746500 /nfs/dbraw/zinc/74/65/00/409746500.db2.gz MOUSBVOJPKQLKC-VIFPVBQESA-N 2 0 185.271 -0.421 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 662562824 409743373 /nfs/dbraw/zinc/74/33/73/409743373.db2.gz QFJLGYNMUJQVGH-XHNCKOQMSA-N 2 0 199.298 -0.149 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C)C[NH3+] 662554977 409743390 /nfs/dbraw/zinc/74/33/90/409743390.db2.gz XZFQQAAIDWZGSR-RNFRBKRXSA-N 2 0 173.260 -0.552 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)[NH3+] 662558745 409743401 /nfs/dbraw/zinc/74/34/01/409743401.db2.gz JSEQDBOAEKAFHF-RNFRBKRXSA-N 2 0 173.260 -0.552 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 662556117 409743441 /nfs/dbraw/zinc/74/34/41/409743441.db2.gz LVCIVOQOFNQKTF-YIZRAAEISA-N 2 0 199.298 -0.020 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 662562822 409743492 /nfs/dbraw/zinc/74/34/92/409743492.db2.gz QFJLGYNMUJQVGH-VGMNWLOBSA-N 2 0 199.298 -0.149 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C)CC[NH3+] 662550636 409743525 /nfs/dbraw/zinc/74/35/25/409743525.db2.gz FAYCIACAIQHQQM-HTQZYQBOSA-N 2 0 187.287 -0.162 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)CC[NH3+] 662550637 409743542 /nfs/dbraw/zinc/74/35/42/409743542.db2.gz FAYCIACAIQHQQM-JGVFFNPUSA-N 2 0 187.287 -0.162 20 0 ABADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1CCC[NH2+]1 308648856 409746573 /nfs/dbraw/zinc/74/65/73/409746573.db2.gz JGGGNIVEMUKXQN-JGVFFNPUSA-N 2 0 185.271 -0.551 20 0 ABADRP CN(CCn1cccn1)C[C@@H](O)C[NH3+] 308635617 409743578 /nfs/dbraw/zinc/74/35/78/409743578.db2.gz CHVYCNYNTRHHMI-VIFPVBQESA-N 2 0 198.270 -0.866 20 0 ABADRP CC(C)[NH2+]CC(=O)NC[C@@H]([NH3+])C1CC1 662552354 409743595 /nfs/dbraw/zinc/74/35/95/409743595.db2.gz XUQQALKBAFQOMF-SECBINFHSA-N 2 0 199.298 -0.162 20 0 ABADRP CN(CCn1cccn1)C[C@H](O)C[NH3+] 308635616 409743611 /nfs/dbraw/zinc/74/36/11/409743611.db2.gz CHVYCNYNTRHHMI-SECBINFHSA-N 2 0 198.270 -0.866 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](C)C[NH3+] 662548455 409743823 /nfs/dbraw/zinc/74/38/23/409743823.db2.gz FKJXSNVZRZKWFE-SFYZADRCSA-N 2 0 187.287 -0.305 20 0 ABADRP CC(C)[NH2+]CC(=O)NC[C@H]([NH3+])C1CC1 662552356 409743845 /nfs/dbraw/zinc/74/38/45/409743845.db2.gz XUQQALKBAFQOMF-VIFPVBQESA-N 2 0 199.298 -0.162 20 0 ABADRP CC(C)[NH2+]CC(=O)N[C@H](C)C[NH3+] 662552021 409743861 /nfs/dbraw/zinc/74/38/61/409743861.db2.gz AIYDHQYQCGKGRD-SSDOTTSWSA-N 2 0 173.260 -0.552 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)N(C)C1CC([NH3+])C1 662565615 409743892 /nfs/dbraw/zinc/74/38/92/409743892.db2.gz DWEVRWMSSLQILC-HACHORDNSA-N 2 0 199.298 -0.068 20 0 ABADRP CC(C)[NH2+]CC(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 662565228 409743904 /nfs/dbraw/zinc/74/39/04/409743904.db2.gz JYHUWCJMCHTQDA-MBTKJCJQSA-N 2 0 197.282 -0.682 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)N(C)C1CC([NH3+])C1 662565613 409743920 /nfs/dbraw/zinc/74/39/20/409743920.db2.gz DWEVRWMSSLQILC-AMDVSUOASA-N 2 0 199.298 -0.068 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)C[NH3+] 662548453 409743927 /nfs/dbraw/zinc/74/39/27/409743927.db2.gz FKJXSNVZRZKWFE-JGVFFNPUSA-N 2 0 187.287 -0.305 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)C[NH3+] 662548456 409743948 /nfs/dbraw/zinc/74/39/48/409743948.db2.gz FKJXSNVZRZKWFE-YUMQZZPRSA-N 2 0 187.287 -0.305 20 0 ABADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CCC[NH2+]1 308643802 409743949 /nfs/dbraw/zinc/74/39/49/409743949.db2.gz GJALWBVNPNLJFV-SFYZADRCSA-N 2 0 185.271 -0.408 20 0 ABADRP CC[NH2+]CCCNC(=O)[C@@H](C)C[NH3+] 308644569 409743988 /nfs/dbraw/zinc/74/39/88/409743988.db2.gz GWZPCHNKPSENHV-QMMMGPOBSA-N 2 0 187.287 -0.303 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)CC[NH3+] 662550640 409744001 /nfs/dbraw/zinc/74/40/01/409744001.db2.gz FAYCIACAIQHQQM-YUMQZZPRSA-N 2 0 187.287 -0.162 20 0 ABADRP CC(C)[NH2+]CC(=O)NC[C@@H](C)[NH3+] 662559015 409744010 /nfs/dbraw/zinc/74/40/10/409744010.db2.gz OTDDKLPFSRSZJY-SSDOTTSWSA-N 2 0 173.260 -0.552 20 0 ABADRP CC(C)[NH2+]CC(=O)NC[C@H](C)C[NH3+] 662549565 409744097 /nfs/dbraw/zinc/74/40/97/409744097.db2.gz QWBDUNNONSNJDK-MRVPVSSYSA-N 2 0 187.287 -0.305 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](C)[NH3+] 662558743 409744120 /nfs/dbraw/zinc/74/41/20/409744120.db2.gz JSEQDBOAEKAFHF-BQBZGAKWSA-N 2 0 173.260 -0.552 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 662562821 409744167 /nfs/dbraw/zinc/74/41/67/409744167.db2.gz QFJLGYNMUJQVGH-HRDYMLBCSA-N 2 0 199.298 -0.149 20 0 ABADRP C[C@H](C[NH3+])N(C)C(=O)CC(C)(C)[NH3+] 308638009 409744180 /nfs/dbraw/zinc/74/41/80/409744180.db2.gz CZSJLIUZSKWCOR-SSDOTTSWSA-N 2 0 187.287 -0.081 20 0 ABADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]([NH3+])C1CC1 662550610 409744193 /nfs/dbraw/zinc/74/41/93/409744193.db2.gz JPGDOBHQBSEKQT-RKDXNWHRSA-N 2 0 199.298 -0.162 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)C[NH3+] 662554978 409744205 /nfs/dbraw/zinc/74/42/05/409744205.db2.gz XZFQQAAIDWZGSR-RQJHMYQMSA-N 2 0 173.260 -0.552 20 0 ABADRP CC(C)[NH2+]CC(=O)N[C@@H](C)CC[NH3+] 662552836 409744254 /nfs/dbraw/zinc/74/42/54/409744254.db2.gz UCCBBPAGZVLXOU-QMMMGPOBSA-N 2 0 187.287 -0.162 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]([NH3+])C1CC1 662550605 409744279 /nfs/dbraw/zinc/74/42/79/409744279.db2.gz JPGDOBHQBSEKQT-BDAKNGLRSA-N 2 0 199.298 -0.162 20 0 ABADRP C[C@H](C[NH3+])CNC(=O)CC(C)(C)[NH3+] 308645834 409744356 /nfs/dbraw/zinc/74/43/56/409744356.db2.gz HNLNSQNBDJSIIZ-SSDOTTSWSA-N 2 0 187.287 -0.175 20 0 ABADRP CC(C)[NH2+]CC(=O)N[C@H](C)CC[NH3+] 662552834 409744385 /nfs/dbraw/zinc/74/43/85/409744385.db2.gz UCCBBPAGZVLXOU-MRVPVSSYSA-N 2 0 187.287 -0.162 20 0 ABADRP C[NH2+]CCC(=O)NC[C@@H]([NH3+])C(C)C 308644820 409744526 /nfs/dbraw/zinc/74/45/26/409744526.db2.gz GZMFRHQBUPCMKD-MRVPVSSYSA-N 2 0 187.287 -0.305 20 0 ABADRP C[C@@H](C[NH3+])CNC(=O)CC(C)(C)[NH3+] 308645835 409744551 /nfs/dbraw/zinc/74/45/51/409744551.db2.gz HNLNSQNBDJSIIZ-ZETCQYMHSA-N 2 0 187.287 -0.175 20 0 ABADRP COCCN(CCO)CC(C)(C)[NH3+] 308645517 409744569 /nfs/dbraw/zinc/74/45/69/409744569.db2.gz HIKCFIAHODAIGC-UHFFFAOYSA-N 2 0 190.287 -0.336 20 0 ABADRP C[NH2+][C@@H]1CCCN(C(=O)CC[NH3+])C1 308647933 409744587 /nfs/dbraw/zinc/74/45/87/409744587.db2.gz ISBOKOUWHGJVSE-MRVPVSSYSA-N 2 0 185.271 -0.454 20 0 ABADRP CC[NH2+]CCNC(=O)C(C)(C)C[NH3+] 308641687 409744737 /nfs/dbraw/zinc/74/47/37/409744737.db2.gz FBEONERTWAYIIJ-UHFFFAOYSA-N 2 0 187.287 -0.303 20 0 ABADRP C[C@H]([NH3+])CNC(=O)C[NH2+]CC1CC1 308634697 409744920 /nfs/dbraw/zinc/74/49/20/409744920.db2.gz BZUAWXJDIMADOD-ZETCQYMHSA-N 2 0 185.271 -0.551 20 0 ABADRP C[NH2+]CCCNC(=O)CC(C)(C)[NH3+] 308648298 409744947 /nfs/dbraw/zinc/74/49/47/409744947.db2.gz IWGQVDNZSQDTNP-UHFFFAOYSA-N 2 0 187.287 -0.161 20 0 ABADRP C[NH2+]C[C@@H](C)C(=O)N(C)CCC[NH3+] 308643349 409744977 /nfs/dbraw/zinc/74/49/77/409744977.db2.gz GAWWNEFTCLCKQF-MRVPVSSYSA-N 2 0 187.287 -0.351 20 0 ABADRP C[NH2+]CCC(=O)NC[C@H]([NH3+])C(C)C 308644823 409745025 /nfs/dbraw/zinc/74/50/25/409745025.db2.gz GZMFRHQBUPCMKD-QMMMGPOBSA-N 2 0 187.287 -0.305 20 0 ABADRP CCC(CC)(C[NH3+])NC(=O)CC[NH3+] 308642252 409745184 /nfs/dbraw/zinc/74/51/84/409745184.db2.gz FHQNYZBEFXWZGA-UHFFFAOYSA-N 2 0 187.287 -0.031 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 662572561 409745330 /nfs/dbraw/zinc/74/53/30/409745330.db2.gz YXPZVSSTBDDTDV-DJLDLDEBSA-N 2 0 199.298 -0.162 20 0 ABADRP CC(C)[NH2+]CC(=O)N1C[C@@H]([NH3+])[C@H](C)C1 662571514 409745360 /nfs/dbraw/zinc/74/53/60/409745360.db2.gz INFSLGQJEDDGEB-RKDXNWHRSA-N 2 0 199.298 -0.210 20 0 ABADRP CN(CC(C)(C)[NH3+])C(=O)C(C)(C)[NH3+] 662605425 409745578 /nfs/dbraw/zinc/74/55/78/409745578.db2.gz NWBRHOQXVJDJSR-UHFFFAOYSA-N 2 0 187.287 -0.081 20 0 ABADRP CN(CC[NH3+])C(=O)[C@@H]1CCC[C@@H]1[NH3+] 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GFGMHYNZIDYJNH-UHFFFAOYSA-N 2 0 173.260 -0.599 20 0 ABADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]([NH3+])C1 308661057 409746230 /nfs/dbraw/zinc/74/62/30/409746230.db2.gz PXJCKMQXQOOPLB-JGVFFNPUSA-N 2 0 185.271 -0.599 20 0 ABADRP CN(CC(C)(C)[NH3+])C(=O)CC[NH3+] 662605489 409746236 /nfs/dbraw/zinc/74/62/36/409746236.db2.gz PEHOBILJIGXJSM-UHFFFAOYSA-N 2 0 173.260 -0.469 20 0 ABADRP C[C@@H](C[NH3+])CNC(=O)C(C)(C)C[NH3+] 308659082 409746252 /nfs/dbraw/zinc/74/62/52/409746252.db2.gz PFZMKSWFSZEGKW-ZETCQYMHSA-N 2 0 187.287 -0.318 20 0 ABADRP CCCC[C@H](C[NH3+])NC(=O)C[NH2+]C 308655281 409746271 /nfs/dbraw/zinc/74/62/71/409746271.db2.gz NSUBQWSINSQKID-MRVPVSSYSA-N 2 0 187.287 -0.161 20 0 ABADRP CC[C@H]([NH3+])CNC(=O)[C@@H](CC)[NH2+]C 662566850 409746357 /nfs/dbraw/zinc/74/63/57/409746357.db2.gz GHZJSKWHFAVWOI-JGVFFNPUSA-N 2 0 187.287 -0.162 20 0 ABADRP C[NH2+][C@@H]1CCN(C(=O)CCC[NH3+])C1 308652481 409746384 /nfs/dbraw/zinc/74/63/84/409746384.db2.gz LPMGMNMHRWNVQZ-MRVPVSSYSA-N 2 0 185.271 -0.454 20 0 ABADRP CC[C@H]([NH3+])CNC(=O)[C@H](CC)[NH2+]C 662566852 409746460 /nfs/dbraw/zinc/74/64/60/409746460.db2.gz GHZJSKWHFAVWOI-YUMQZZPRSA-N 2 0 187.287 -0.162 20 0 ABADRP C[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 308649887 409746505 /nfs/dbraw/zinc/74/65/05/409746505.db2.gz JPONBRFAPDVCAY-HZGVNTEJSA-N 2 0 185.271 -0.423 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 662572563 409746509 /nfs/dbraw/zinc/74/65/09/409746509.db2.gz YXPZVSSTBDDTDV-YIZRAAEISA-N 2 0 199.298 -0.162 20 0 ABADRP C[C@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] 662607319 409746518 /nfs/dbraw/zinc/74/65/18/409746518.db2.gz LUZGHNYPLCHDMA-LURJTMIESA-N 2 0 173.260 -0.471 20 0 ABADRP CCC(CC)(C[NH3+])NC(=O)[C@H](C)[NH3+] 308655325 409746551 /nfs/dbraw/zinc/74/65/51/409746551.db2.gz NTXMAOVVUTYWBS-ZETCQYMHSA-N 2 0 187.287 -0.033 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@H](C)[NH+](C)C 308663016 409746581 /nfs/dbraw/zinc/74/65/81/409746581.db2.gz RAWXEAMDOJXBDP-BQBZGAKWSA-N 2 0 173.260 -0.600 20 0 ABADRP 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662568544 409746892 /nfs/dbraw/zinc/74/68/92/409746892.db2.gz SHSXMOCEENELDN-QMMMGPOBSA-N 2 0 187.287 -0.162 20 0 ABADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH3+] 308661934 409746921 /nfs/dbraw/zinc/74/69/21/409746921.db2.gz QJMQXFCHWRQLBD-JGVFFNPUSA-N 2 0 185.271 -0.551 20 0 ABADRP C[C@H](C[NH3+])C(=O)NCC[NH2+]C1CC1 308654117 409746932 /nfs/dbraw/zinc/74/69/32/409746932.db2.gz MWGAHUKUSYQGDF-SSDOTTSWSA-N 2 0 185.271 -0.551 20 0 ABADRP C[NH2+]CCC(=O)N(C)CC(C)(C)[NH3+] 662605305 409746947 /nfs/dbraw/zinc/74/69/47/409746947.db2.gz MJLUKTJXRFRDOA-UHFFFAOYSA-N 2 0 187.287 -0.208 20 0 ABADRP C[C@@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] 662605296 409746958 /nfs/dbraw/zinc/74/69/58/409746958.db2.gz LUZGHNYPLCHDMA-ZCFIWIBFSA-N 2 0 173.260 -0.471 20 0 ABADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH3+] 308661936 409746993 /nfs/dbraw/zinc/74/69/93/409746993.db2.gz QJMQXFCHWRQLBD-YUMQZZPRSA-N 2 0 185.271 -0.551 20 0 ABADRP CC[C@H]([NH2+]C)C(=O)N(C)CC[NH3+] 662575643 409747055 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/nfs/dbraw/zinc/74/72/50/409747250.db2.gz SQUCPZJGQHFJRB-SSDOTTSWSA-N 2 0 173.260 -0.599 20 0 ABADRP C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH3+])C1 308651659 409747290 /nfs/dbraw/zinc/74/72/90/409747290.db2.gz KWBXWDJELDKOOS-HTQZYQBOSA-N 2 0 185.271 -0.599 20 0 ABADRP C[C@@H](C(=O)NC[C@@H](C)[NH3+])[NH+](C)C 308663017 409747418 /nfs/dbraw/zinc/74/74/18/409747418.db2.gz RAWXEAMDOJXBDP-RQJHMYQMSA-N 2 0 173.260 -0.600 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N(C)CC(C)(C)[NH3+] 662605960 409747475 /nfs/dbraw/zinc/74/74/75/409747475.db2.gz VPVGQKATNGPOMO-ZETCQYMHSA-N 2 0 187.287 -0.223 20 0 ABADRP CC[NH2+]CCCNC(=O)C[C@@H](C)[NH3+] 308677888 409749628 /nfs/dbraw/zinc/74/96/28/409749628.db2.gz WSKKTBOHTLAASN-MRVPVSSYSA-N 2 0 187.287 -0.161 20 0 ABADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] 662567715 409747511 /nfs/dbraw/zinc/74/75/11/409747511.db2.gz LXIMGVUBNWMINF-HLTSFMKQSA-N 2 0 199.298 -0.033 20 0 ABADRP [NH3+]CCCC(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 308651123 409747553 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/nfs/dbraw/zinc/74/77/11/409747711.db2.gz QJYLYKDJKMLTMA-QMMMGPOBSA-N 2 0 187.287 -0.161 20 0 ABADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])CC 308653982 409747725 /nfs/dbraw/zinc/74/77/25/409747725.db2.gz MUNVKDFSTNEXCK-QMMMGPOBSA-N 2 0 187.287 -0.161 20 0 ABADRP CN(CCC[NH3+])C(=O)[C@@H]1CCC[NH2+]1 308652882 409747801 /nfs/dbraw/zinc/74/78/01/409747801.db2.gz LZAZNIJPVCZYKV-QMMMGPOBSA-N 2 0 185.271 -0.454 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 308652045 409747821 /nfs/dbraw/zinc/74/78/21/409747821.db2.gz LHGMNLUTSDWDIR-JGVFFNPUSA-N 2 0 185.271 -0.456 20 0 ABADRP C[C@H](C(=O)NC(C)(C)C[NH3+])[C@@H](C)[NH3+] 308660101 409747873 /nfs/dbraw/zinc/74/78/73/409747873.db2.gz PPSKQJJKKRDMCM-NKWVEPMBSA-N 2 0 187.287 -0.177 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])C(C)(C)C 308650680 409748253 /nfs/dbraw/zinc/74/82/53/409748253.db2.gz KHEYUSDDPAESNT-NKWVEPMBSA-N 2 0 187.287 -0.177 20 0 ABADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CCC[NH2+]1 308648855 409747879 /nfs/dbraw/zinc/74/78/79/409747879.db2.gz JGGGNIVEMUKXQN-HTQZYQBOSA-N 2 0 185.271 -0.551 20 0 ABADRP CC[NH2+]CCNC(=O)[C@H]([NH3+])C(C)C 308650014 409747933 /nfs/dbraw/zinc/74/79/33/409747933.db2.gz JSZNKFXNICLFEQ-MRVPVSSYSA-N 2 0 187.287 -0.305 20 0 ABADRP CCC[NH2+]CCNC(=O)[C@H]([NH3+])CC 308653981 409747956 /nfs/dbraw/zinc/74/79/56/409747956.db2.gz MUNVKDFSTNEXCK-MRVPVSSYSA-N 2 0 187.287 -0.161 20 0 ABADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH3+] 308661935 409747975 /nfs/dbraw/zinc/74/79/75/409747975.db2.gz QJMQXFCHWRQLBD-SFYZADRCSA-N 2 0 185.271 -0.551 20 0 ABADRP C[C@@H](C[NH3+])C(=O)NCC[NH2+]C1CC1 308654118 409747993 /nfs/dbraw/zinc/74/79/93/409747993.db2.gz MWGAHUKUSYQGDF-ZETCQYMHSA-N 2 0 185.271 -0.551 20 0 ABADRP C[C@H](C[NH3+])CNC(=O)C(C)(C)C[NH3+] 308659081 409748024 /nfs/dbraw/zinc/74/80/24/409748024.db2.gz PFZMKSWFSZEGKW-SSDOTTSWSA-N 2 0 187.287 -0.318 20 0 ABADRP C[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH3+])C1 308651661 409748049 /nfs/dbraw/zinc/74/80/49/409748049.db2.gz KWBXWDJELDKOOS-SFYZADRCSA-N 2 0 185.271 -0.599 20 0 ABADRP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 308652046 409748162 /nfs/dbraw/zinc/74/81/62/409748162.db2.gz LHGMNLUTSDWDIR-SFYZADRCSA-N 2 0 185.271 -0.456 20 0 ABADRP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)CC[NH3+] 308662647 409748197 /nfs/dbraw/zinc/74/81/97/409748197.db2.gz QWPMXPWGIDIWEM-SFYZADRCSA-N 2 0 187.287 -0.177 20 0 ABADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)C[NH3+] 308649890 409748237 /nfs/dbraw/zinc/74/82/37/409748237.db2.gz JPOQAHBVXHEUPH-PRJMDXOYSA-N 2 0 187.287 -0.177 20 0 ABADRP C[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 308649888 409748294 /nfs/dbraw/zinc/74/82/94/409748294.db2.gz JPONBRFAPDVCAY-MUWHJKNJSA-N 2 0 185.271 -0.423 20 0 ABADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)[NH3+] 308649485 409748325 /nfs/dbraw/zinc/74/83/25/409748325.db2.gz JLVJEGJNADNQPD-SFYZADRCSA-N 2 0 187.287 -0.033 20 0 ABADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CCC[NH2+]1 308648858 409748350 /nfs/dbraw/zinc/74/83/50/409748350.db2.gz JGGGNIVEMUKXQN-YUMQZZPRSA-N 2 0 185.271 -0.551 20 0 ABADRP C[C@@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C1CC1 308652429 409748449 /nfs/dbraw/zinc/74/84/49/409748449.db2.gz LNNXMZAOYMQNCW-SVRRBLITSA-N 2 0 185.271 -0.423 20 0 ABADRP [NH3+]C1(CNC(=O)[C@H]2CC[NH2+]2)CCCC1 662648564 409748589 /nfs/dbraw/zinc/74/85/89/409748589.db2.gz INWPGCHIYFNSJD-MRVPVSSYSA-N 2 0 197.282 -0.264 20 0 ABADRP C[C@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C 662634999 409748653 /nfs/dbraw/zinc/74/86/53/409748653.db2.gz TVNOTBGCZVMBCM-YUMQZZPRSA-N 2 0 187.287 -0.210 20 0 ABADRP C[NH+](C)CC(=O)NCC1([NH3+])CCCC1 662653519 409748668 /nfs/dbraw/zinc/74/86/68/409748668.db2.gz VLAOBCHDKXVSKJ-UHFFFAOYSA-N 2 0 199.298 -0.064 20 0 ABADRP C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 662649885 409748796 /nfs/dbraw/zinc/74/87/96/409748796.db2.gz SVACRJIJSCURPS-ZETCQYMHSA-N 2 0 185.271 -0.279 20 0 ABADRP C[C@H](CCNC(=O)[C@H]1CC[NH2+]1)[NH+](C)C 662633981 409748809 /nfs/dbraw/zinc/74/88/09/409748809.db2.gz PFRZCHGUCBGTRU-RKDXNWHRSA-N 2 0 199.298 -0.195 20 0 ABADRP [NH3+]CCC(=O)NCC1([NH3+])CCCC1 662648199 409748848 /nfs/dbraw/zinc/74/88/48/409748848.db2.gz GTGCWEFKDZAOIB-UHFFFAOYSA-N 2 0 185.271 -0.277 20 0 ABADRP CN(CC(C)(C)[NH3+])C(=O)C[NH2+]C1CC1 662611856 409748955 /nfs/dbraw/zinc/74/89/55/409748955.db2.gz HKJVQCGWFMTTKQ-UHFFFAOYSA-N 2 0 199.298 -0.066 20 0 ABADRP C[NH2+][C@@H](C)C(=O)NCC1([NH3+])CCCC1 662646234 409748976 /nfs/dbraw/zinc/74/89/76/409748976.db2.gz GWWPANLJUZMUOR-QMMMGPOBSA-N 2 0 199.298 -0.018 20 0 ABADRP C[C@H](C[NH3+])CNC(=O)CCCC[NH3+] 308685110 409749167 /nfs/dbraw/zinc/74/91/67/409749167.db2.gz ZBNUGSRSDWWKPX-MRVPVSSYSA-N 2 0 187.287 -0.174 20 0 ABADRP CCC[NH2+]CCNC(=O)C(C)(C)[NH3+] 308666716 409749220 /nfs/dbraw/zinc/74/92/20/409749220.db2.gz SVKLDJAFFRLCHA-UHFFFAOYSA-N 2 0 187.287 -0.161 20 0 ABADRP CN(CCC[NH3+])C(=O)CC(C)(C)[NH3+] 308678282 409749353 /nfs/dbraw/zinc/74/93/53/409749353.db2.gz WWGHNRTVPWDIHL-UHFFFAOYSA-N 2 0 187.287 -0.079 20 0 ABADRP C[NH2+]CCC(=O)N1CCC[C@H]([NH3+])C1 308686868 409749366 /nfs/dbraw/zinc/74/93/66/409749366.db2.gz ZXCVGNCDGPJSHQ-QMMMGPOBSA-N 2 0 185.271 -0.454 20 0 ABADRP C[NH2+]CC(=O)N(C)CC(C)(C)C[NH3+] 308681990 409749393 /nfs/dbraw/zinc/74/93/93/409749393.db2.gz XVZXBGNOZWIJOV-UHFFFAOYSA-N 2 0 187.287 -0.351 20 0 ABADRP C[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 662649878 409749404 /nfs/dbraw/zinc/74/94/04/409749404.db2.gz SVACRJIJSCURPS-SSDOTTSWSA-N 2 0 185.271 -0.279 20 0 ABADRP CC[C@@H]([NH3+])C(=O)NCC[NH2+]C1CC1 308681490 409749455 /nfs/dbraw/zinc/74/94/55/409749455.db2.gz XSCNCVROBMUCQH-MRVPVSSYSA-N 2 0 185.271 -0.408 20 0 ABADRP C[C@H](CCCC[NH3+])NC(=O)CC[NH3+] 308684116 409749477 /nfs/dbraw/zinc/74/94/77/409749477.db2.gz YQRDGHKKXPOGCC-MRVPVSSYSA-N 2 0 187.287 -0.031 20 0 ABADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCC[NH2+]1 662611814 409749537 /nfs/dbraw/zinc/74/95/37/409749537.db2.gz GXDCOOSVUGDDOF-QMMMGPOBSA-N 2 0 199.298 -0.066 20 0 ABADRP C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)[NH3+])C1 308671637 409749553 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662693869 409752777 /nfs/dbraw/zinc/75/27/77/409752777.db2.gz MKERVDIMPHXTOS-IWSPIJDZSA-N 2 0 199.298 -0.210 20 0 ABADRP CN(C(=O)CC(C)(C)[NH3+])[C@H]1CC[NH2+]C1 308818847 409752829 /nfs/dbraw/zinc/75/28/29/409752829.db2.gz BHXZTZFFQXPWID-QMMMGPOBSA-N 2 0 199.298 -0.066 20 0 ABADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 308848859 409752860 /nfs/dbraw/zinc/75/28/60/409752860.db2.gz QISCIFAFIXTTDE-IUCAKERBSA-N 2 0 199.298 -0.177 20 0 ABADRP [NH3+][C@@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 308828982 409752891 /nfs/dbraw/zinc/75/28/91/409752891.db2.gz ITXWAXLDDFDROL-MRVPVSSYSA-N 2 0 197.282 -0.312 20 0 ABADRP CC(C)([NH3+])CC(=O)N[C@@H](C[NH3+])C1CC1 308803220 409752917 /nfs/dbraw/zinc/75/29/17/409752917.db2.gz ABRFQYNSKOVBCE-QMMMGPOBSA-N 2 0 199.298 -0.033 20 0 ABADRP CC(C)([NH3+])CC(=O)N[C@H](C[NH3+])C1CC1 308803218 409752997 /nfs/dbraw/zinc/75/29/97/409752997.db2.gz ABRFQYNSKOVBCE-MRVPVSSYSA-N 2 0 199.298 -0.033 20 0 ABADRP C[NH+](C)CCCNC(=O)[C@H]1C[C@H]([NH3+])C1 662660895 409753070 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/nfs/dbraw/zinc/75/74/37/409757437.db2.gz KABPTBBQFWQRIU-MRVPVSSYSA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] 662823964 409757510 /nfs/dbraw/zinc/75/75/10/409757510.db2.gz UKSYTIJUVSWFQQ-CSMHCCOUSA-N 2 0 187.287 -0.164 20 0 ABADRP CC(C)[C@@H]([NH3+])C(=O)NCC1([NH3+])CCC1 308853137 409757605 /nfs/dbraw/zinc/75/76/05/409757605.db2.gz RWDKNRMXBLTFNM-MRVPVSSYSA-N 2 0 199.298 -0.033 20 0 ABADRP C[NH2+]CCNC(=O)CC1CC[NH2+]CC1 308878796 409757640 /nfs/dbraw/zinc/75/76/40/409757640.db2.gz OUAJMPRGKDWNLW-UHFFFAOYSA-N 2 0 199.298 -0.288 20 0 ABADRP C[NH2+]CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 308855524 409757654 /nfs/dbraw/zinc/75/76/54/409757654.db2.gz MVRITVCVUQYNCA-PSASIEDQSA-N 2 0 197.282 -0.678 20 0 ABADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]1 308870871 409757679 /nfs/dbraw/zinc/75/76/79/409757679.db2.gz JNHTUSNXJQATCW-BDAKNGLRSA-N 2 0 199.298 -0.290 20 0 ABADRP C[NH2+]CCNC(=O)[C@@]1(C)CCC[NH2+]C1 308858521 409757688 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/nfs/dbraw/zinc/76/91/45/409769145.db2.gz NFDJYXLXXGXHIX-JTQLQIEISA-N 2 0 197.282 -0.393 20 0 ABADRP C[C@@]1(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC[NH2+]C1 663014055 409769283 /nfs/dbraw/zinc/76/92/83/409769283.db2.gz IUMOWZPIGHAOIE-NQMVMOMDSA-N 2 0 197.282 -0.408 20 0 ABADRP C[NH2+]C[C@H](C)C(=O)N[C@]1(C)CC[NH2+]C1 663004766 409769181 /nfs/dbraw/zinc/76/91/81/409769181.db2.gz RSNNGZGXTDSAMP-WCBMZHEXSA-N 2 0 199.298 -0.290 20 0 ABADRP C[NH2+][C@@H](C)C(=O)N[C@@]1(C)CC[NH2+]C1 663013692 409769203 /nfs/dbraw/zinc/76/92/03/409769203.db2.gz FXBSAEYLJWLQDK-CBAPKCEASA-N 2 0 185.271 -0.538 20 0 ABADRP C[C@H]([NH3+])C(=O)N[C@]1(C)CC[NH2+]C1 663002994 409769214 /nfs/dbraw/zinc/76/92/14/409769214.db2.gz BOSKKQJJVKCCNS-POYBYMJQSA-N 2 0 171.244 -0.798 20 0 ABADRP C[C@H]([NH3+])[C@@H](C)C(=O)N[C@]1(C)CC[NH2+]C1 663012458 409769251 /nfs/dbraw/zinc/76/92/51/409769251.db2.gz XGEXMXBXDWRROJ-KHQFGBGNSA-N 2 0 199.298 -0.162 20 0 ABADRP C[NH2+]CCC(=O)N[C@@]1(C)CC[NH2+]C1 663010626 409769258 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/nfs/dbraw/zinc/78/29/01/409782901.db2.gz IMEQWCMXYQUYAN-SCZZXKLOSA-N 2 0 183.299 -0.077 20 0 ABADRP C1C[NH2+][C@H](CNC[C@@]23C[NH2+]C[C@@H]2C3)C1 663492601 409782971 /nfs/dbraw/zinc/78/29/71/409782971.db2.gz AJNDLMXBFXPMPZ-GARJFASQSA-N 2 0 195.310 -0.063 20 0 ABADRP C[NH2+]CCNC[C@@]12C[NH2+]C[C@@H]1C2 663493205 409782988 /nfs/dbraw/zinc/78/29/88/409782988.db2.gz GGQDDXZYAPAWPP-IUCAKERBSA-N 2 0 169.272 -0.595 20 0 ABADRP CN(C[C@]12C[NH2+]C[C@H]1C2)[C@H]1CC[NH2+]C1 663493335 409783060 /nfs/dbraw/zinc/78/30/60/409783060.db2.gz ALCNJHFLUFYRQV-VWYCJHECSA-N 2 0 195.310 -0.110 20 0 ABADRP C[NH2+]CCCNC[C@@]12C[NH2+]C[C@@H]1C2 663494514 409783088 /nfs/dbraw/zinc/78/30/88/409783088.db2.gz OZFFEFUFVICZBS-UWVGGRQHSA-N 2 0 183.299 -0.205 20 0 ABADRP C[NH2+]CCCNC[C@]12C[NH2+]C[C@H]1C2 663494512 409783133 /nfs/dbraw/zinc/78/31/33/409783133.db2.gz OZFFEFUFVICZBS-NXEZZACHSA-N 2 0 183.299 -0.205 20 0 ABADRP C[NH2+][C@@H]1CCN(C[C@]23C[NH2+]C[C@H]2C3)C1 663493385 409783144 /nfs/dbraw/zinc/78/31/44/409783144.db2.gz BBCQSMINLDRYEB-MXWKQRLJSA-N 2 0 195.310 -0.110 20 0 ABADRP C[NH2+][C@@H]1CCN(C[C@@]23C[NH2+]C[C@@H]2C3)C1 663493384 409783163 /nfs/dbraw/zinc/78/31/63/409783163.db2.gz BBCQSMINLDRYEB-HBNTYKKESA-N 2 0 195.310 -0.110 20 0 ABADRP CN(CCC[NH3+])C[C@@]12C[NH2+]C[C@@H]1C2 663495003 409783176 /nfs/dbraw/zinc/78/31/76/409783176.db2.gz MYUYUNYXPUIFTR-VHSXEESVSA-N 2 0 183.299 -0.124 20 0 ABADRP CN(CC[NH3+])C[C@@]12C[NH2+]C[C@@H]1C2 663496017 409783194 /nfs/dbraw/zinc/78/31/94/409783194.db2.gz CAMQQHJWWXXYPN-DTWKUNHWSA-N 2 0 169.272 -0.514 20 0 ABADRP [NH3+][C@@H]1CCN(C[C@]23C[NH2+]C[C@H]2C3)C1 663495160 409783233 /nfs/dbraw/zinc/78/32/33/409783233.db2.gz NXIZRABOQRUWSZ-BBBLOLIVSA-N 2 0 181.283 -0.371 20 0 ABADRP [NH3+]C[C@H](NC[C@@]12C[NH2+]C[C@@H]1C2)C1CC1 663495097 409783243 /nfs/dbraw/zinc/78/32/43/409783243.db2.gz VLVMGWWNTCYHDP-GARJFASQSA-N 2 0 195.310 -0.077 20 0 ABADRP C1C[NH2+]C[C@H](NC[C@]23C[NH2+]C[C@H]2C3)C1 663495107 409783248 /nfs/dbraw/zinc/78/32/48/409783248.db2.gz VOWFJLYHWQEWAV-MXWKQRLJSA-N 2 0 195.310 -0.063 20 0 ABADRP C[NH2+]CCNC[C@]12C[NH2+]C[C@H]1C2 663493208 409783258 /nfs/dbraw/zinc/78/32/58/409783258.db2.gz GGQDDXZYAPAWPP-RKDXNWHRSA-N 2 0 169.272 -0.595 20 0 ABADRP [NH3+][C@H]1CCN(C[C@]23C[NH2+]C[C@H]2C3)C1 663495166 409783302 /nfs/dbraw/zinc/78/33/02/409783302.db2.gz NXIZRABOQRUWSZ-UTLUCORTSA-N 2 0 181.283 -0.371 20 0 ABADRP C1C[NH2+][C@H](CNC[C@]23C[NH2+]C[C@H]2C3)C1 663492604 409783304 /nfs/dbraw/zinc/78/33/04/409783304.db2.gz AJNDLMXBFXPMPZ-VWYCJHECSA-N 2 0 195.310 -0.063 20 0 ABADRP C1C[C@H](NC[C@@]23C[NH2+]C[C@@H]2C3)C[NH2+]1 663494772 409783308 /nfs/dbraw/zinc/78/33/08/409783308.db2.gz RXTIBVIJACQUHD-LPEHRKFASA-N 2 0 181.283 -0.453 20 0 ABADRP CC[NH2+]CCNC[C@@]12C[NH2+]C[C@@H]1C2 663494522 409783320 /nfs/dbraw/zinc/78/33/20/409783320.db2.gz PDNYNLXXKQFWKL-UWVGGRQHSA-N 2 0 183.299 -0.205 20 0 ABADRP C1C[C@H](NC[C@]23C[NH2+]C[C@H]2C3)C[NH2+]1 663494773 409783379 /nfs/dbraw/zinc/78/33/79/409783379.db2.gz RXTIBVIJACQUHD-UTLUCORTSA-N 2 0 181.283 -0.453 20 0 ABADRP [NH3+]C[C@H](NC[C@]12C[NH2+]C[C@H]1C2)C1CC1 663495099 409783385 /nfs/dbraw/zinc/78/33/85/409783385.db2.gz VLVMGWWNTCYHDP-VWYCJHECSA-N 2 0 195.310 -0.077 20 0 ABADRP C[C@H](C[NH3+])N(C)C[C@@]12C[NH2+]C[C@@H]1C2 663496825 409784052 /nfs/dbraw/zinc/78/40/52/409784052.db2.gz ZHUVATZGXFHTEL-KXUCPTDWSA-N 2 0 183.299 -0.125 20 0 ABADRP [NH3+][C@H](CNC[C@@]12C[NH2+]C[C@@H]1C2)C1CC1 663497385 409784114 /nfs/dbraw/zinc/78/41/14/409784114.db2.gz NFXUOMJAFWJAIB-HBNTYKKESA-N 2 0 195.310 -0.077 20 0 ABADRP C1C[NH2+]CCN(C[C@@]23C[NH2+]C[C@@H]2C3)C1 663496716 409784364 /nfs/dbraw/zinc/78/43/64/409784364.db2.gz YCIBTZQMRFMAGN-WDEREUQCSA-N 2 0 195.310 -0.109 20 0 ABADRP CC[C@H]([NH3+])CNC[C@@]12C[NH2+]C[C@@H]1C2 663498380 409784431 /nfs/dbraw/zinc/78/44/31/409784431.db2.gz SEGYBZBLPAIQSH-LPEHRKFASA-N 2 0 183.299 -0.077 20 0 ABADRP C1[NH2+]C[C@H]2[C@@H]1[C@@H]2NC[C@@]12C[NH2+]C[C@@H]1C2 663498478 409784453 /nfs/dbraw/zinc/78/44/53/409784453.db2.gz TUSGTPBXXKBQMZ-FBDQPXRJSA-N 2 0 193.294 -0.597 20 0 ABADRP [NH3+][C@H](CNC[C@]12C[NH2+]C[C@H]1C2)C1CC1 663497386 409784668 /nfs/dbraw/zinc/78/46/68/409784668.db2.gz NFXUOMJAFWJAIB-MXWKQRLJSA-N 2 0 195.310 -0.077 20 0 ABADRP C[C@H](CC[NH3+])NC[C@]12C[NH2+]C[C@H]1C2 663498468 409784875 /nfs/dbraw/zinc/78/48/75/409784875.db2.gz SYNMFLFVYZSOAC-BBBLOLIVSA-N 2 0 183.299 -0.077 20 0 ABADRP C1C[NH2+]CCN(C[C@]23C[NH2+]C[C@H]2C3)C1 663496712 409784927 /nfs/dbraw/zinc/78/49/27/409784927.db2.gz YCIBTZQMRFMAGN-MNOVXSKESA-N 2 0 195.310 -0.109 20 0 ABADRP C1C[NH2+]C[C@@H](NC[C@@]23C[NH2+]C[C@@H]2C3)C1 663499269 409785026 /nfs/dbraw/zinc/78/50/26/409785026.db2.gz VOWFJLYHWQEWAV-GARJFASQSA-N 2 0 195.310 -0.063 20 0 ABADRP C[C@H](C[NH3+])CNC[C@@]12C[NH2+]C[C@@H]1C2 663497480 409785154 /nfs/dbraw/zinc/78/51/54/409785154.db2.gz OUPQSLVRZWYBBN-UTLUCORTSA-N 2 0 183.299 -0.220 20 0 ABADRP C[C@H](C[NH3+])N(C)C[C@]12C[NH2+]C[C@H]1C2 663496824 409785317 /nfs/dbraw/zinc/78/53/17/409785317.db2.gz ZHUVATZGXFHTEL-BBBLOLIVSA-N 2 0 183.299 -0.125 20 0 ABADRP CC[C@H]([NH3+])CNC[C@]12C[NH2+]C[C@H]1C2 663498382 409785992 /nfs/dbraw/zinc/78/59/92/409785992.db2.gz SEGYBZBLPAIQSH-UTLUCORTSA-N 2 0 183.299 -0.077 20 0 ABADRP C[C@H](C[NH3+])CNC[C@]12C[NH2+]C[C@H]1C2 663497478 409786104 /nfs/dbraw/zinc/78/61/04/409786104.db2.gz OUPQSLVRZWYBBN-OPRDCNLKSA-N 2 0 183.299 -0.220 20 0 ABADRP C1C[NH2+]C[C@@H](NC[C@]23C[NH2+]C[C@H]2C3)C1 663499275 409786176 /nfs/dbraw/zinc/78/61/76/409786176.db2.gz VOWFJLYHWQEWAV-VWYCJHECSA-N 2 0 195.310 -0.063 20 0 ABADRP C1[NH2+]C[C@H]2[C@@H]1[C@@H]2NC[C@]12C[NH2+]C[C@H]1C2 663498739 409786256 /nfs/dbraw/zinc/78/62/56/409786256.db2.gz TUSGTPBXXKBQMZ-UVOCVTCTSA-N 2 0 193.294 -0.597 20 0 ABADRP C[C@H](CC[NH3+])NC[C@@]12C[NH2+]C[C@@H]1C2 663498469 409786892 /nfs/dbraw/zinc/78/68/92/409786892.db2.gz SYNMFLFVYZSOAC-KXUCPTDWSA-N 2 0 183.299 -0.077 20 0 ABADRP C[NH2+]C[C@@H](C)N[C@@H]1CC[NH2+]C1 663510106 409787473 /nfs/dbraw/zinc/78/74/73/409787473.db2.gz CDSDWLHLJYXCJH-HTQZYQBOSA-N 2 0 157.261 -0.454 20 0 ABADRP C[NH2+]C[C@@H](C)N[C@@H]1CCC[NH2+]C1 663510166 409788692 /nfs/dbraw/zinc/78/86/92/409788692.db2.gz CLMUKVSEUFBFTN-RKDXNWHRSA-N 2 0 171.288 -0.064 20 0 ABADRP C[NH2+]C[C@H](C)N[C@@H]1CCC[NH2+]C1 663510163 409788801 /nfs/dbraw/zinc/78/88/01/409788801.db2.gz CLMUKVSEUFBFTN-DTWKUNHWSA-N 2 0 171.288 -0.064 20 0 ABADRP C[NH2+]C[C@@H](C)N[C@H]1CCC[NH2+]C1 663510158 409788995 /nfs/dbraw/zinc/78/89/95/409788995.db2.gz CLMUKVSEUFBFTN-BDAKNGLRSA-N 2 0 171.288 -0.064 20 0 ABADRP C[NH2+]C[C@H](C)NCC(C)(C)[NH3+] 663508825 409789106 /nfs/dbraw/zinc/78/91/06/409789106.db2.gz FPLDCRPMJOACNG-ZETCQYMHSA-N 2 0 159.277 -0.079 20 0 ABADRP C[NH2+]C[C@H](C)N[C@H]1CCC[NH2+]C1 663510164 409789114 /nfs/dbraw/zinc/78/91/14/409789114.db2.gz CLMUKVSEUFBFTN-IUCAKERBSA-N 2 0 171.288 -0.064 20 0 ABADRP C[NH2+]C[C@H](C)N[C@H]1CC[NH2+]C1 663510110 409790005 /nfs/dbraw/zinc/79/00/05/409790005.db2.gz CDSDWLHLJYXCJH-YUMQZZPRSA-N 2 0 157.261 -0.454 20 0 ABADRP C[NH2+]C[C@H](C)NC[C@]12C[NH2+]C[C@H]1C2 663510385 409790108 /nfs/dbraw/zinc/79/01/08/409790108.db2.gz DJXMMBIJQOLANH-AEJSXWLSSA-N 2 0 183.299 -0.207 20 0 ABADRP C[NH2+]C[C@@H](C)N[C@H]1CC[NH2+]C1 663510109 409790181 /nfs/dbraw/zinc/79/01/81/409790181.db2.gz CDSDWLHLJYXCJH-SFYZADRCSA-N 2 0 157.261 -0.454 20 0 ABADRP C[NH2+]C[C@@H](C)NCC(C)(C)[NH3+] 663508824 409790402 /nfs/dbraw/zinc/79/04/02/409790402.db2.gz FPLDCRPMJOACNG-SSDOTTSWSA-N 2 0 159.277 -0.079 20 0 ABADRP C[NH2+]C[C@H](C)NC[C@@]12C[NH2+]C[C@@H]1C2 663511944 409790440 /nfs/dbraw/zinc/79/04/40/409790440.db2.gz DJXMMBIJQOLANH-LPEHRKFASA-N 2 0 183.299 -0.207 20 0 ABADRP C[NH2+]C[C@H](C)N[C@@H]1CC[NH2+]C1 663510108 409790585 /nfs/dbraw/zinc/79/05/85/409790585.db2.gz CDSDWLHLJYXCJH-JGVFFNPUSA-N 2 0 157.261 -0.454 20 0 ABADRP C[NH2+]C[C@@H](C)NCCC[NH3+] 663514698 409791988 /nfs/dbraw/zinc/79/19/88/409791988.db2.gz SDAULKKZHDSJHP-SSDOTTSWSA-N 2 0 145.250 -0.467 20 0 ABADRP C[NH2+]C[C@H](C)NCCC[NH3+] 663514699 409792455 /nfs/dbraw/zinc/79/24/55/409792455.db2.gz SDAULKKZHDSJHP-ZETCQYMHSA-N 2 0 145.250 -0.467 20 0 ABADRP C[NH2+]C[C@H](C)NC1CC[NH2+]CC1 663513849 409793737 /nfs/dbraw/zinc/79/37/37/409793737.db2.gz NBFHOEHDETZLNQ-QMMMGPOBSA-N 2 0 171.288 -0.064 20 0 ABADRP C[NH2+]C[C@@H](C)NC1CC[NH2+]CC1 663513848 409793851 /nfs/dbraw/zinc/79/38/51/409793851.db2.gz NBFHOEHDETZLNQ-MRVPVSSYSA-N 2 0 171.288 -0.064 20 0 ABADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 378753857 409798218 /nfs/dbraw/zinc/79/82/18/409798218.db2.gz WTBPPZSJMXYHHH-CIUDSAMLSA-N 2 0 199.298 -0.081 20 0 ABADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 378753859 409798669 /nfs/dbraw/zinc/79/86/69/409798669.db2.gz WTBPPZSJMXYHHH-VGMNWLOBSA-N 2 0 199.298 -0.081 20 0 ABADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[NH2+]1 378784843 409801275 /nfs/dbraw/zinc/80/12/75/409801275.db2.gz KVPXDYPSHUQCKZ-HTQZYQBOSA-N 2 0 185.271 -0.538 20 0 ABADRP C[C@@H]([NH3+])C(=O)NC(C)(C)CCC[NH3+] 378863857 409807620 /nfs/dbraw/zinc/80/76/20/409807620.db2.gz WIECVOJVLYPXKU-SSDOTTSWSA-N 2 0 187.287 -0.033 20 0 ABADRP CC(C)(CCC[NH3+])NC(=O)CC[NH3+] 378863973 409807758 /nfs/dbraw/zinc/80/77/58/409807758.db2.gz WORXFMQESUFWGV-UHFFFAOYSA-N 2 0 187.287 -0.031 20 0 ABADRP C[C@H]([NH3+])C(=O)NC(C)(C)CCC[NH3+] 378863858 409809570 /nfs/dbraw/zinc/80/95/70/409809570.db2.gz WIECVOJVLYPXKU-ZETCQYMHSA-N 2 0 187.287 -0.033 20 0 ABADRP C[NH2+]CC(=O)N(C)[C@H](C)C[NH3+] 379338760 409829340 /nfs/dbraw/zinc/82/93/40/409829340.db2.gz ORVBLGULGWCWOC-ZCFIWIBFSA-N 2 0 159.233 -0.989 20 0 ABADRP C[C@@H](CC[NH3+])NC(=O)C[NH+](C)C 379324532 409825797 /nfs/dbraw/zinc/82/57/97/409825797.db2.gz ZIUUBDWLGJSQOE-ZETCQYMHSA-N 2 0 173.260 -0.599 20 0 ABADRP CC[NH2+]CCNC(=O)CC[NH3+] 379327297 409825817 /nfs/dbraw/zinc/82/58/17/409825817.db2.gz KBHTTXDIAIVMKL-UHFFFAOYSA-N 2 0 159.233 -0.939 20 0 ABADRP C[C@H](CC[NH3+])NC(=O)C[NH+](C)C 379324531 409826008 /nfs/dbraw/zinc/82/60/08/409826008.db2.gz ZIUUBDWLGJSQOE-SSDOTTSWSA-N 2 0 173.260 -0.599 20 0 ABADRP C[NH2+]CCNC(=O)C[C@@H](C)[NH3+] 379329237 409826216 /nfs/dbraw/zinc/82/62/16/409826216.db2.gz TZIYAXHJOJQWQT-ZCFIWIBFSA-N 2 0 159.233 -0.941 20 0 ABADRP CC[NH2+][C@H](C)CNC(=O)C[NH3+] 379328929 409826576 /nfs/dbraw/zinc/82/65/76/409826576.db2.gz RSWVZLNPOMVAQP-ZCFIWIBFSA-N 2 0 159.233 -0.941 20 0 ABADRP C[C@H]([NH3+])C(=O)N(C)CCC[NH3+] 379329919 409826618 /nfs/dbraw/zinc/82/66/18/409826618.db2.gz WNWZJKUUCMOGPJ-LURJTMIESA-N 2 0 159.233 -0.859 20 0 ABADRP C[NH2+]CCNC(=O)C[C@H](C)[NH3+] 379329236 409826889 /nfs/dbraw/zinc/82/68/89/409826889.db2.gz TZIYAXHJOJQWQT-LURJTMIESA-N 2 0 159.233 -0.941 20 0 ABADRP CCC[NH2+]CCNC(=O)C[NH3+] 379332099 409827481 /nfs/dbraw/zinc/82/74/81/409827481.db2.gz HMUHNMWESJRHPZ-UHFFFAOYSA-N 2 0 159.233 -0.939 20 0 ABADRP C[NH2+]CC(=O)N(C)CCC[NH3+] 379339134 409829694 /nfs/dbraw/zinc/82/96/94/409829694.db2.gz XNKSETQKHHFZSW-UHFFFAOYSA-N 2 0 159.233 -0.987 20 0 ABADRP C[NH2+]CC(=O)N(C)[C@@H](C)C[NH3+] 379338759 409830215 /nfs/dbraw/zinc/83/02/15/409830215.db2.gz ORVBLGULGWCWOC-LURJTMIESA-N 2 0 159.233 -0.989 20 0 ABADRP C[NH2+]C[C@H]1CCN(C[C@@H](C)[NH3+])C1 379354028 409831344 /nfs/dbraw/zinc/83/13/44/409831344.db2.gz HFXPRZKNJDGLCR-RKDXNWHRSA-N 2 0 171.288 -0.125 20 0 ABADRP C[NH2+]C[C@@H]1CCN(C[C@H](C)[NH3+])C1 379354027 409831356 /nfs/dbraw/zinc/83/13/56/409831356.db2.gz HFXPRZKNJDGLCR-IUCAKERBSA-N 2 0 171.288 -0.125 20 0 ABADRP C[C@H](C[NH3+])NC(=O)C(C)(C)C[NH3+] 379360354 409831610 /nfs/dbraw/zinc/83/16/10/409831610.db2.gz BAWRTXHXYTVEPZ-ZCFIWIBFSA-N 2 0 173.260 -0.565 20 0 ABADRP C[NH2+]CCC(=O)N(C)CCC[NH3+] 379354298 409831623 /nfs/dbraw/zinc/83/16/23/409831623.db2.gz IBWLNKPCJHMIIN-UHFFFAOYSA-N 2 0 173.260 -0.597 20 0 ABADRP C[NH2+]CCNC(=O)[C@H](C)C[NH2+]C 379354236 409831815 /nfs/dbraw/zinc/83/18/15/409831815.db2.gz HWTXYPUPXQPYNG-SSDOTTSWSA-N 2 0 173.260 -0.823 20 0 ABADRP [NH3+]CCN1CCSC[C@@H]1CCO 379359241 409831859 /nfs/dbraw/zinc/83/18/59/409831859.db2.gz XTUKHFGVQJGMQD-QMMMGPOBSA-N 2 0 190.312 -0.255 20 0 ABADRP C[NH2+]C[C@H]1CCCN1C(=O)C[NH3+] 379357036 409831915 /nfs/dbraw/zinc/83/19/15/409831915.db2.gz QFMCXUNFCODGGX-SSDOTTSWSA-N 2 0 171.244 -0.845 20 0 ABADRP [NH3+]CCN1CCSC[C@H]1CCO 379359240 409831986 /nfs/dbraw/zinc/83/19/86/409831986.db2.gz XTUKHFGVQJGMQD-MRVPVSSYSA-N 2 0 190.312 -0.255 20 0 ABADRP CC[NH2+]CCNC(=O)[C@H](C)C[NH3+] 379359180 409832004 /nfs/dbraw/zinc/83/20/04/409832004.db2.gz XOSWMRAXCLOWFY-SSDOTTSWSA-N 2 0 173.260 -0.693 20 0 ABADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C)C[NH3+] 379360333 409832032 /nfs/dbraw/zinc/83/20/32/409832032.db2.gz AZUQMFOVHLJKEI-NKWVEPMBSA-N 2 0 173.260 -0.695 20 0 ABADRP C[C@H](C[NH3+])C(=O)N(C)CCC[NH3+] 379360001 409832052 /nfs/dbraw/zinc/83/20/52/409832052.db2.gz AQASPEPMLDOZMS-SSDOTTSWSA-N 2 0 173.260 -0.612 20 0 ABADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1CC[NH2+]1 379363695 409832101 /nfs/dbraw/zinc/83/21/01/409832101.db2.gz KRZQAFLNNAEAQS-RNFRBKRXSA-N 2 0 171.244 -0.846 20 0 ABADRP C[C@H](C[NH3+])N(C)C[C@@H]1CC[NH2+]C1 379362998 409832326 /nfs/dbraw/zinc/83/23/26/409832326.db2.gz IXVKSJUMLWWBFB-RKDXNWHRSA-N 2 0 171.288 -0.125 20 0 ABADRP CC[NH2+]CCCNC(=O)[C@@H](C)[NH3+] 379353299 409832362 /nfs/dbraw/zinc/83/23/62/409832362.db2.gz AKEPHGLJHXIQQI-SSDOTTSWSA-N 2 0 173.260 -0.551 20 0 ABADRP C[C@H]([NH3+])C(=O)NCC[NH2+]C1CC1 379362744 409832387 /nfs/dbraw/zinc/83/23/87/409832387.db2.gz IJDYGSIQITWJAX-LURJTMIESA-N 2 0 171.244 -0.798 20 0 ABADRP C[C@H](C[NH3+])N(C)C[C@H]1CC[NH2+]C1 379362995 409832446 /nfs/dbraw/zinc/83/24/46/409832446.db2.gz IXVKSJUMLWWBFB-BDAKNGLRSA-N 2 0 171.288 -0.125 20 0 ABADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[NH3+] 379357037 409832515 /nfs/dbraw/zinc/83/25/15/409832515.db2.gz QFMCXUNFCODGGX-ZETCQYMHSA-N 2 0 171.244 -0.845 20 0 ABADRP CC[NH2+]CCNC(=O)[C@@H](C)C[NH3+] 379359181 409832552 /nfs/dbraw/zinc/83/25/52/409832552.db2.gz XOSWMRAXCLOWFY-ZETCQYMHSA-N 2 0 173.260 -0.693 20 0 ABADRP C[NH2+]CCC(=O)N[C@H](C)CC[NH3+] 379362001 409832615 /nfs/dbraw/zinc/83/26/15/409832615.db2.gz GHSKAKSHSAVIBN-SSDOTTSWSA-N 2 0 173.260 -0.551 20 0 ABADRP [NH3+]CCC(=O)N1CCC[C@@H]1C[NH3+] 379360846 409832624 /nfs/dbraw/zinc/83/26/24/409832624.db2.gz DIJPOSBFSRRGLE-SSDOTTSWSA-N 2 0 171.244 -0.715 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N(C)CCC[NH3+] 379360004 409832698 /nfs/dbraw/zinc/83/26/98/409832698.db2.gz AQASPEPMLDOZMS-ZETCQYMHSA-N 2 0 173.260 -0.612 20 0 ABADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](C)C[NH3+] 379360336 409832803 /nfs/dbraw/zinc/83/28/03/409832803.db2.gz AZUQMFOVHLJKEI-RNFRBKRXSA-N 2 0 173.260 -0.695 20 0 ABADRP C[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 379360831 409832813 /nfs/dbraw/zinc/83/28/13/409832813.db2.gz DEQVSTMYNYRWOZ-IYSWYEEDSA-N 2 0 171.244 -0.813 20 0 ABADRP C[NH2+]CCNC(=O)[C@@H](C)C[NH2+]C 379354237 409832859 /nfs/dbraw/zinc/83/28/59/409832859.db2.gz HWTXYPUPXQPYNG-ZETCQYMHSA-N 2 0 173.260 -0.823 20 0 ABADRP CC[NH2+]CCNC(=O)C(C)(C)[NH3+] 379359542 409833379 /nfs/dbraw/zinc/83/33/79/409833379.db2.gz YYBBWVZSSKVZGJ-UHFFFAOYSA-N 2 0 173.260 -0.551 20 0 ABADRP C[C@@H](C[NH3+])N(C)C[C@H]1CC[NH2+]C1 379362997 409833018 /nfs/dbraw/zinc/83/30/18/409833018.db2.gz IXVKSJUMLWWBFB-IUCAKERBSA-N 2 0 171.288 -0.125 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@@H]([NH2+]C)C1 379361688 409833091 /nfs/dbraw/zinc/83/30/91/409833091.db2.gz FSRBKNXOVLFHDX-SSDOTTSWSA-N 2 0 171.244 -0.974 20 0 ABADRP CN(CC(C)(C)C[NH3+])C(=O)C[NH3+] 379354199 409833141 /nfs/dbraw/zinc/83/31/41/409833141.db2.gz HSXDSCRFIYKNGO-UHFFFAOYSA-N 2 0 173.260 -0.612 20 0 ABADRP CC(C)([NH3+])CNC(=O)CCC[NH3+] 379355011 409833150 /nfs/dbraw/zinc/83/31/50/409833150.db2.gz KENJWRIDTRJWNZ-UHFFFAOYSA-N 2 0 173.260 -0.421 20 0 ABADRP CC[NH2+][C@H](C)CNC(=O)C[NH2+]C 379363884 409833186 /nfs/dbraw/zinc/83/31/86/409833186.db2.gz LFOGPBKHPCOTTL-SSDOTTSWSA-N 2 0 173.260 -0.680 20 0 ABADRP C[NH2+]C[C@H]1CCN(C[C@H](C)[NH3+])C1 379354026 409833216 /nfs/dbraw/zinc/83/32/16/409833216.db2.gz HFXPRZKNJDGLCR-DTWKUNHWSA-N 2 0 171.288 -0.125 20 0 ABADRP C[C@@H](C[NH3+])N(C)C[C@@H]1CC[NH2+]C1 379362996 409833223 /nfs/dbraw/zinc/83/32/23/409833223.db2.gz IXVKSJUMLWWBFB-DTWKUNHWSA-N 2 0 171.288 -0.125 20 0 ABADRP C[NH2+]CC(=O)N1CCC[C@@H]1C[NH3+] 379355440 409833265 /nfs/dbraw/zinc/83/32/65/409833265.db2.gz ACDCBYVYEAZCCY-SSDOTTSWSA-N 2 0 171.244 -0.845 20 0 ABADRP C[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 379360832 409833277 /nfs/dbraw/zinc/83/32/77/409833277.db2.gz DEQVSTMYNYRWOZ-VDTYLAMSSA-N 2 0 171.244 -0.813 20 0 ABADRP C[NH2+]CC(=O)N1CC[C@H]([NH2+]C)C1 379361689 409833367 /nfs/dbraw/zinc/83/33/67/409833367.db2.gz FSRBKNXOVLFHDX-ZETCQYMHSA-N 2 0 171.244 -0.974 20 0 ABADRP C[NH2+]C[C@@H]1CCN(C[C@@H](C)[NH3+])C1 379354025 409833458 /nfs/dbraw/zinc/83/34/58/409833458.db2.gz HFXPRZKNJDGLCR-BDAKNGLRSA-N 2 0 171.288 -0.125 20 0 ABADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CC[NH2+]1 379363694 409833611 /nfs/dbraw/zinc/83/36/11/409833611.db2.gz KRZQAFLNNAEAQS-NKWVEPMBSA-N 2 0 171.244 -0.846 20 0 ABADRP C[C@H](C[NH3+])NC(=O)C[NH2+]C1CC1 379354858 409833668 /nfs/dbraw/zinc/83/36/68/409833668.db2.gz JTJOXFSFAKEQPQ-ZCFIWIBFSA-N 2 0 171.244 -0.798 20 0 ABADRP C[NH2+]CCC(=O)N[C@@H](C)CC[NH3+] 379362002 409833697 /nfs/dbraw/zinc/83/36/97/409833697.db2.gz GHSKAKSHSAVIBN-ZETCQYMHSA-N 2 0 173.260 -0.551 20 0 ABADRP C[NH2+]CCC(=O)N[C@H]1CC[NH2+]C1 379366789 409834546 /nfs/dbraw/zinc/83/45/46/409834546.db2.gz SRJYUOMFILSTDQ-ZETCQYMHSA-N 2 0 171.244 -0.926 20 0 ABADRP C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 379369181 409834618 /nfs/dbraw/zinc/83/46/18/409834618.db2.gz DEQVSTMYNYRWOZ-FSPLSTOPSA-N 2 0 171.244 -0.813 20 0 ABADRP C[NH2+]CCC(=O)N[C@@H]1CC[NH2+]C1 379366788 409834993 /nfs/dbraw/zinc/83/49/93/409834993.db2.gz SRJYUOMFILSTDQ-SSDOTTSWSA-N 2 0 171.244 -0.926 20 0 ABADRP CC[NH2+][C@H](C)CNC(=O)[C@H](C)[NH3+] 379364860 409835041 /nfs/dbraw/zinc/83/50/41/409835041.db2.gz NSBJDXMEAXZQPA-RQJHMYQMSA-N 2 0 173.260 -0.552 20 0 ABADRP C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 379369178 409835238 /nfs/dbraw/zinc/83/52/38/409835238.db2.gz DEQVSTMYNYRWOZ-CAHLUQPWSA-N 2 0 171.244 -0.813 20 0 ABADRP C[NH+](C)CCNC(=O)[C@H]1CC[NH2+]1 379367286 409835530 /nfs/dbraw/zinc/83/55/30/409835530.db2.gz UOQNSPPDTPHALY-SSDOTTSWSA-N 2 0 171.244 -0.974 20 0 ABADRP C[NH2+]CCCN1CC[C@H](C[NH3+])C1 379377661 409836638 /nfs/dbraw/zinc/83/66/38/409836638.db2.gz YKBRIEYKWNNZBE-SECBINFHSA-N 2 0 171.288 -0.124 20 0 ABADRP C[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 379377125 409836754 /nfs/dbraw/zinc/83/67/54/409836754.db2.gz WIRSGHXTNCUNBN-VDTYLAMSSA-N 2 0 171.244 -0.813 20 0 ABADRP C[C@@H](CC[NH3+])NC(=O)[C@H](C)C[NH3+] 379377830 409836817 /nfs/dbraw/zinc/83/68/17/409836817.db2.gz ZCUZWWCHNTVLHQ-RQJHMYQMSA-N 2 0 173.260 -0.565 20 0 ABADRP C[NH2+]CCCNC(=O)C[C@H](C)[NH3+] 379377281 409837099 /nfs/dbraw/zinc/83/70/99/409837099.db2.gz XAQSDNUQHKDQFP-ZETCQYMHSA-N 2 0 173.260 -0.551 20 0 ABADRP C[NH2+]CCCC(=O)NC[C@@H](C)[NH3+] 379377237 409837140 /nfs/dbraw/zinc/83/71/40/409837140.db2.gz WWGSFZPKAAGSTH-SSDOTTSWSA-N 2 0 173.260 -0.551 20 0 ABADRP C[C@@H](C[NH3+])C(=O)NCC(C)(C)[NH3+] 379377566 409837165 /nfs/dbraw/zinc/83/71/65/409837165.db2.gz YDERDQCLEKUIHT-LURJTMIESA-N 2 0 173.260 -0.565 20 0 ABADRP C[C@@H](CC[NH3+])NC(=O)CCC[NH3+] 379374066 409837216 /nfs/dbraw/zinc/83/72/16/409837216.db2.gz MIZIWDZJLMWJOP-ZETCQYMHSA-N 2 0 173.260 -0.421 20 0 ABADRP C[NH2+]CCCNC(=O)C[C@@H](C)[NH3+] 379377280 409837293 /nfs/dbraw/zinc/83/72/93/409837293.db2.gz XAQSDNUQHKDQFP-SSDOTTSWSA-N 2 0 173.260 -0.551 20 0 ABADRP CN(CCC[NH3+])C(=O)C1([NH3+])CC1 379375448 409837327 /nfs/dbraw/zinc/83/73/27/409837327.db2.gz POESARQIOLDVBW-UHFFFAOYSA-N 2 0 171.244 -0.715 20 0 ABADRP CN(CCC[NH3+])C(=O)CCC[NH3+] 379376021 409837363 /nfs/dbraw/zinc/83/73/63/409837363.db2.gz RMAZUWJHIOXVAA-UHFFFAOYSA-N 2 0 173.260 -0.468 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)C(C)(C)C[NH3+] 379376260 409837552 /nfs/dbraw/zinc/83/75/52/409837552.db2.gz SMKGKSRHNFYLOQ-ZCFIWIBFSA-N 2 0 173.260 -0.565 20 0 ABADRP C[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 379377124 409837618 /nfs/dbraw/zinc/83/76/18/409837618.db2.gz WIRSGHXTNCUNBN-IYSWYEEDSA-N 2 0 171.244 -0.813 20 0 ABADRP C[NH2+]CCCN1CC[C@@H](C[NH3+])C1 379377662 409837464 /nfs/dbraw/zinc/83/74/64/409837464.db2.gz YKBRIEYKWNNZBE-VIFPVBQESA-N 2 0 171.288 -0.124 20 0 ABADRP C[NH2+]CC(=O)NCC[NH2+]C1CC1 379375143 409837586 /nfs/dbraw/zinc/83/75/86/409837586.db2.gz OOXNCSDXAYOCLS-UHFFFAOYSA-N 2 0 171.244 -0.926 20 0 ABADRP CC(C)[C@@H]([NH3+])CNC(=O)CC[NH3+] 379373231 409837636 /nfs/dbraw/zinc/83/76/36/409837636.db2.gz KVMKKHUFBOMJHI-ZETCQYMHSA-N 2 0 173.260 -0.565 20 0 ABADRP C[C@H](C[NH3+])C(=O)NCC(C)(C)[NH3+] 379377567 409837705 /nfs/dbraw/zinc/83/77/05/409837705.db2.gz YDERDQCLEKUIHT-ZCFIWIBFSA-N 2 0 173.260 -0.565 20 0 ABADRP C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 379377123 409837886 /nfs/dbraw/zinc/83/78/86/409837886.db2.gz WIRSGHXTNCUNBN-FSPLSTOPSA-N 2 0 171.244 -0.813 20 0 ABADRP C[C@H]([NH3+])CNC(=O)C(C)(C)C[NH3+] 379376259 409837905 /nfs/dbraw/zinc/83/79/05/409837905.db2.gz SMKGKSRHNFYLOQ-LURJTMIESA-N 2 0 173.260 -0.565 20 0 ABADRP C[C@H](CC[NH3+])NC(=O)CCC[NH3+] 379374065 409837985 /nfs/dbraw/zinc/83/79/85/409837985.db2.gz MIZIWDZJLMWJOP-SSDOTTSWSA-N 2 0 173.260 -0.421 20 0 ABADRP C[C@H](CC[NH3+])NC(=O)[C@H](C)C[NH3+] 379377829 409838101 /nfs/dbraw/zinc/83/81/01/409838101.db2.gz ZCUZWWCHNTVLHQ-RNFRBKRXSA-N 2 0 173.260 -0.565 20 0 ABADRP C[C@@H](CC[NH3+])NC(=O)[C@@H](C)C[NH3+] 379377827 409838631 /nfs/dbraw/zinc/83/86/31/409838631.db2.gz ZCUZWWCHNTVLHQ-BQBZGAKWSA-N 2 0 173.260 -0.565 20 0 ABADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)C[NH3+] 379374119 409838157 /nfs/dbraw/zinc/83/81/57/409838157.db2.gz MMINNHSIHPXTKS-RNFRBKRXSA-N 2 0 173.260 -0.567 20 0 ABADRP CC(C)[C@H]([NH3+])CNC(=O)CC[NH3+] 379373230 409838272 /nfs/dbraw/zinc/83/82/72/409838272.db2.gz KVMKKHUFBOMJHI-SSDOTTSWSA-N 2 0 173.260 -0.565 20 0 ABADRP C[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 379377122 409838494 /nfs/dbraw/zinc/83/84/94/409838494.db2.gz WIRSGHXTNCUNBN-CAHLUQPWSA-N 2 0 171.244 -0.813 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N[C@H](C)CC[NH3+] 379377828 409838543 /nfs/dbraw/zinc/83/85/43/409838543.db2.gz ZCUZWWCHNTVLHQ-NKWVEPMBSA-N 2 0 173.260 -0.565 20 0 ABADRP C[C@@H](C[NH3+])CNC(=O)C1([NH3+])CC1 379377806 409838600 /nfs/dbraw/zinc/83/86/00/409838600.db2.gz YZQLPJLDTSTWCI-LURJTMIESA-N 2 0 171.244 -0.811 20 0 ABADRP C[NH2+]CCCNC(=O)[C@H]1CC[NH2+]1 379377784 409838692 /nfs/dbraw/zinc/83/86/92/409838692.db2.gz YWXVDPOKPCQJOF-SSDOTTSWSA-N 2 0 171.244 -0.926 20 0 ABADRP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)C[NH3+] 379374122 409838749 /nfs/dbraw/zinc/83/87/49/409838749.db2.gz MMINNHSIHPXTKS-RQJHMYQMSA-N 2 0 173.260 -0.567 20 0 ABADRP C[C@H](C[NH3+])CNC(=O)C1([NH3+])CC1 379377807 409838849 /nfs/dbraw/zinc/83/88/49/409838849.db2.gz YZQLPJLDTSTWCI-ZCFIWIBFSA-N 2 0 171.244 -0.811 20 0 ABADRP C[NH2+]CCCC(=O)NC[C@H](C)[NH3+] 379377238 409838854 /nfs/dbraw/zinc/83/88/54/409838854.db2.gz WWGSFZPKAAGSTH-ZETCQYMHSA-N 2 0 173.260 -0.551 20 0 ABADRP CCC[NH2+]CCNC(=O)[C@H](C)[NH3+] 379377316 409838891 /nfs/dbraw/zinc/83/88/91/409838891.db2.gz XDFVYCJCZWFHPA-ZETCQYMHSA-N 2 0 173.260 -0.551 20 0 ABADRP [NH3+]CCOCC[NH2+]CC1([NH3+])CCC1 379575318 409853682 /nfs/dbraw/zinc/85/36/82/409853682.db2.gz LVULPGFTKSUAOM-UHFFFAOYSA-N 2 0 187.287 -0.567 20 0 ABADRP C[NH2+]CCNC(=O)C[C@H]1CCC[NH2+]1 379576434 409853769 /nfs/dbraw/zinc/85/37/69/409853769.db2.gz OALILPLIBVIPDI-MRVPVSSYSA-N 2 0 185.271 -0.536 20 0 ABADRP CC[NH2+][C@H](C)CNC(=O)C[C@@H](C)[NH3+] 379599889 409856388 /nfs/dbraw/zinc/85/63/88/409856388.db2.gz KHRIMUHAZJAWCJ-HTQZYQBOSA-N 2 0 187.287 -0.162 20 0 ABADRP [NH3+]C1(C(=O)NCC[NH2+]C2CC2)CC1 379564675 409848416 /nfs/dbraw/zinc/84/84/16/409848416.db2.gz BBRUXRIXPLDGRH-UHFFFAOYSA-N 2 0 183.255 -0.654 20 0 ABADRP CC[NH2+]CCNC(=O)[C@@H](C)C[NH2+]C 379569582 409849053 /nfs/dbraw/zinc/84/90/53/409849053.db2.gz BHTURUFNFJTYLV-QMMMGPOBSA-N 2 0 187.287 -0.432 20 0 ABADRP C[NH2+]CC(=O)NCCC[NH2+]C(C)C 379569637 409849595 /nfs/dbraw/zinc/84/95/95/409849595.db2.gz BMOOTRCWQSVQBJ-UHFFFAOYSA-N 2 0 187.287 -0.290 20 0 ABADRP CC[NH2+]CCNC(=O)[C@H](C)C[NH2+]C 379569580 409849803 /nfs/dbraw/zinc/84/98/03/409849803.db2.gz BHTURUFNFJTYLV-MRVPVSSYSA-N 2 0 187.287 -0.432 20 0 ABADRP CCC[NH2+]CCNC(=O)C[C@@H](C)[NH3+] 379579428 409851816 /nfs/dbraw/zinc/85/18/16/409851816.db2.gz WPPBDDRHKBZUJD-MRVPVSSYSA-N 2 0 187.287 -0.161 20 0 ABADRP C[C@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 379572493 409851630 /nfs/dbraw/zinc/85/16/30/409851630.db2.gz GREOMXZZZNOLNS-SVRRBLITSA-N 2 0 185.271 -0.565 20 0 ABADRP C[NH2+]CCCNC(=O)CCC[NH2+]C 379574110 409851795 /nfs/dbraw/zinc/85/17/95/409851795.db2.gz JRMJFXOTBXSKRW-UHFFFAOYSA-N 2 0 187.287 -0.288 20 0 ABADRP CCC[NH2+]CCNC(=O)C[C@H](C)[NH3+] 379579433 409851810 /nfs/dbraw/zinc/85/18/10/409851810.db2.gz WPPBDDRHKBZUJD-QMMMGPOBSA-N 2 0 187.287 -0.161 20 0 ABADRP C[C@H]([NH3+])[C@@H](C)C(=O)N(C)CCC[NH3+] 379579389 409851929 /nfs/dbraw/zinc/85/19/29/409851929.db2.gz WOHWFDLIYQYISL-SFYZADRCSA-N 2 0 187.287 -0.223 20 0 ABADRP C[NH2+]CCC(=O)NCC[NH2+]C1CC1 379574141 409852003 /nfs/dbraw/zinc/85/20/03/409852003.db2.gz JTMYKPDNTGWNGZ-UHFFFAOYSA-N 2 0 185.271 -0.536 20 0 ABADRP CC[NH2+]CCNC(=O)[C@@H]1CCC[NH2+]1 379579983 409852138 /nfs/dbraw/zinc/85/21/38/409852138.db2.gz XTHBXKFGCGXZFH-QMMMGPOBSA-N 2 0 185.271 -0.536 20 0 ABADRP C[C@H]([NH3+])CC(=O)NC[C@@H]([NH3+])C1CC1 379578977 409852067 /nfs/dbraw/zinc/85/20/67/409852067.db2.gz VMWTWXICHCAXGV-POYBYMJQSA-N 2 0 185.271 -0.423 20 0 ABADRP CC(C)([NH3+])C(=O)NCC[NH2+]C1CC1 379576002 409852074 /nfs/dbraw/zinc/85/20/74/409852074.db2.gz MXUOJHQFUPOXLP-UHFFFAOYSA-N 2 0 185.271 -0.408 20 0 ABADRP C[C@H](C(=O)N(C)CCC[NH3+])[C@@H](C)[NH3+] 379579383 409852166 /nfs/dbraw/zinc/85/21/66/409852166.db2.gz WOHWFDLIYQYISL-JGVFFNPUSA-N 2 0 187.287 -0.223 20 0 ABADRP [NH3+]CCCC(=O)NCC[NH2+]C1CC1 379575984 409852185 /nfs/dbraw/zinc/85/21/85/409852185.db2.gz MUGXZASABLAZCT-UHFFFAOYSA-N 2 0 185.271 -0.407 20 0 ABADRP C[C@H](C[NH3+])N(C)C(=O)CCCC[NH3+] 379578616 409852271 /nfs/dbraw/zinc/85/22/71/409852271.db2.gz ULJGMITXMTWLKC-MRVPVSSYSA-N 2 0 187.287 -0.079 20 0 ABADRP C[C@H]([NH3+])CC(=O)NCC[NH2+]C1CC1 379578550 409852312 /nfs/dbraw/zinc/85/23/12/409852312.db2.gz UGOGQKLJCYNGHM-ZETCQYMHSA-N 2 0 185.271 -0.408 20 0 ABADRP C[NH2+]CCCNC(=O)C(C)(C)C[NH3+] 379579767 409852373 /nfs/dbraw/zinc/85/23/73/409852373.db2.gz XIEXZDRWDCFWGU-UHFFFAOYSA-N 2 0 187.287 -0.303 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 379572494 409852382 /nfs/dbraw/zinc/85/23/82/409852382.db2.gz GREOMXZZZNOLNS-XPUUQOCRSA-N 2 0 185.271 -0.565 20 0 ABADRP CC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C 379578863 409852403 /nfs/dbraw/zinc/85/24/03/409852403.db2.gz VLDTVNBGEPFYAR-JGVFFNPUSA-N 2 0 187.287 -0.177 20 0 ABADRP CC(C)[NH2+]CCCNC(=O)[C@H](C)[NH3+] 379577111 409852693 /nfs/dbraw/zinc/85/26/93/409852693.db2.gz PUXDTXPXBJHINK-QMMMGPOBSA-N 2 0 187.287 -0.162 20 0 ABADRP CC(C)([NH3+])C(=O)NCC(F)(F)CN 379572513 409852729 /nfs/dbraw/zinc/85/27/29/409852729.db2.gz GTOFOMQGCOULTB-UHFFFAOYSA-N 2 0 195.213 -0.566 20 0 ABADRP CN(C(=O)CCC[NH3+])[C@@H]1CC[NH2+]C1 379572020 409852745 /nfs/dbraw/zinc/85/27/45/409852745.db2.gz GHDGLVMQPOBDPB-MRVPVSSYSA-N 2 0 185.271 -0.454 20 0 ABADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)C[NH3+] 379577056 409852834 /nfs/dbraw/zinc/85/28/34/409852834.db2.gz PLTRHYJQHCBEOK-SFYZADRCSA-N 2 0 187.287 -0.177 20 0 ABADRP C[C@@H]([NH3+])CC(=O)NC[C@@H]([NH3+])C1CC1 379578976 409852971 /nfs/dbraw/zinc/85/29/71/409852971.db2.gz VMWTWXICHCAXGV-HTRCEHHLSA-N 2 0 185.271 -0.423 20 0 ABADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)CCC[NH3+] 379579390 409852981 /nfs/dbraw/zinc/85/29/81/409852981.db2.gz WOHWFDLIYQYISL-YUMQZZPRSA-N 2 0 187.287 -0.223 20 0 ABADRP CN(C(=O)CCC[NH3+])[C@H]1CC[NH2+]C1 379572021 409853028 /nfs/dbraw/zinc/85/30/28/409853028.db2.gz GHDGLVMQPOBDPB-QMMMGPOBSA-N 2 0 185.271 -0.454 20 0 ABADRP C[C@H](C[NH3+])C(=O)N[C@H](C[NH3+])C1CC1 379572491 409853082 /nfs/dbraw/zinc/85/30/82/409853082.db2.gz GREOMXZZZNOLNS-HTRCEHHLSA-N 2 0 185.271 -0.565 20 0 ABADRP CC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C 379578864 409853097 /nfs/dbraw/zinc/85/30/97/409853097.db2.gz VLDTVNBGEPFYAR-YUMQZZPRSA-N 2 0 187.287 -0.177 20 0 ABADRP C[C@H]([NH3+])CC(=O)NC[C@H]([NH3+])C1CC1 379578979 409853312 /nfs/dbraw/zinc/85/33/12/409853312.db2.gz VMWTWXICHCAXGV-XPUUQOCRSA-N 2 0 185.271 -0.423 20 0 ABADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)C[NH3+] 379577055 409853380 /nfs/dbraw/zinc/85/33/80/409853380.db2.gz PLTRHYJQHCBEOK-HTQZYQBOSA-N 2 0 187.287 -0.177 20 0 ABADRP COC[C@](C)(CO)[NH2+]Cc1cnc[nH]1 379586520 409853430 /nfs/dbraw/zinc/85/34/30/409853430.db2.gz RBGGADBYGBFDTD-VIFPVBQESA-N 2 0 199.254 -0.103 20 0 ABADRP CC(C)[NH2+]CCCNC(=O)[C@@H](C)[NH3+] 379577110 409853479 /nfs/dbraw/zinc/85/34/79/409853479.db2.gz PUXDTXPXBJHINK-MRVPVSSYSA-N 2 0 187.287 -0.162 20 0 ABADRP C[NH2+]CCNC(=O)C[C@@H]1CCC[NH2+]1 379576435 409853494 /nfs/dbraw/zinc/85/34/94/409853494.db2.gz OALILPLIBVIPDI-QMMMGPOBSA-N 2 0 185.271 -0.536 20 0 ABADRP C[C@@H]([NH3+])CC(=O)NCC[NH2+]C1CC1 379578549 409853523 /nfs/dbraw/zinc/85/35/23/409853523.db2.gz UGOGQKLJCYNGHM-SSDOTTSWSA-N 2 0 185.271 -0.408 20 0 ABADRP COC[C@@](C)(CO)[NH2+]Cc1cnc[nH]1 379586519 409853599 /nfs/dbraw/zinc/85/35/99/409853599.db2.gz RBGGADBYGBFDTD-SECBINFHSA-N 2 0 199.254 -0.103 20 0 ABADRP C[C@@H](C[NH3+])N(C)C(=O)CCCC[NH3+] 379578618 409853660 /nfs/dbraw/zinc/85/36/60/409853660.db2.gz ULJGMITXMTWLKC-QMMMGPOBSA-N 2 0 187.287 -0.079 20 0 ABADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CCC[NH3+] 379579382 409853708 /nfs/dbraw/zinc/85/37/08/409853708.db2.gz WOHWFDLIYQYISL-HTQZYQBOSA-N 2 0 187.287 -0.223 20 0 ABADRP C[C@@H]([NH3+])CC(=O)NC[C@H]([NH3+])C1CC1 379578978 409853747 /nfs/dbraw/zinc/85/37/47/409853747.db2.gz VMWTWXICHCAXGV-SVRRBLITSA-N 2 0 185.271 -0.423 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N[C@H](C[NH3+])C1CC1 379572492 409853782 /nfs/dbraw/zinc/85/37/82/409853782.db2.gz GREOMXZZZNOLNS-POYBYMJQSA-N 2 0 185.271 -0.565 20 0 ABADRP [NH3+]CCCC(=O)NC[C@@H]1CCC[NH2+]1 379609125 409855642 /nfs/dbraw/zinc/85/56/42/409855642.db2.gz RVUJFMCZOFEELQ-QMMMGPOBSA-N 2 0 185.271 -0.407 20 0 ABADRP CC[NH2+][C@H](C)CNC(=O)[C@H](C)C[NH3+] 379594811 409855665 /nfs/dbraw/zinc/85/56/65/409855665.db2.gz DAVRNARBXAESTE-HTQZYQBOSA-N 2 0 187.287 -0.305 20 0 ABADRP [NH3+]CCCC(=O)N1CCC[C@@H]([NH3+])C1 379599495 409855185 /nfs/dbraw/zinc/85/51/85/409855185.db2.gz JNMYSVSOBIWPGT-MRVPVSSYSA-N 2 0 185.271 -0.325 20 0 ABADRP [NH3+]C[C@@H](NC(=O)[C@H]1CC[NH2+]1)C1CC1 379591384 409855209 /nfs/dbraw/zinc/85/52/09/409855209.db2.gz XJEMPIOKMUSCIS-HTQZYQBOSA-N 2 0 183.255 -0.798 20 0 ABADRP CCC[C@](C)([NH3+])C(=O)NCC[NH2+]C 379618217 409855228 /nfs/dbraw/zinc/85/52/28/409855228.db2.gz BCEHKDYDAZFNEJ-VIFPVBQESA-N 2 0 187.287 -0.161 20 0 ABADRP [NH3+]C[C@H](NC(=O)[C@H]1CC[NH2+]1)C1CC1 379591386 409855333 /nfs/dbraw/zinc/85/53/33/409855333.db2.gz XJEMPIOKMUSCIS-SFYZADRCSA-N 2 0 183.255 -0.798 20 0 ABADRP C[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[NH2+]1 379601806 409855461 /nfs/dbraw/zinc/85/54/61/409855461.db2.gz MFQPKOFMYAZUEL-SFYZADRCSA-N 2 0 185.271 -0.408 20 0 ABADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[NH2+]1 379601804 409855528 /nfs/dbraw/zinc/85/55/28/409855528.db2.gz MFQPKOFMYAZUEL-HTQZYQBOSA-N 2 0 185.271 -0.408 20 0 ABADRP C[C@H]([NH3+])CC(=O)NC[C@H]1CCC[NH2+]1 379601805 409855547 /nfs/dbraw/zinc/85/55/47/409855547.db2.gz MFQPKOFMYAZUEL-JGVFFNPUSA-N 2 0 185.271 -0.408 20 0 ABADRP CC(C)([NH3+])CNC(=O)C[NH2+]C1CC1 379614258 409855694 /nfs/dbraw/zinc/85/56/94/409855694.db2.gz XMVKQOUTIUJTFJ-UHFFFAOYSA-N 2 0 185.271 -0.408 20 0 ABADRP [NH3+]CCCC(=O)NC[C@H]1CCC[NH2+]1 379609100 409855791 /nfs/dbraw/zinc/85/57/91/409855791.db2.gz RVUJFMCZOFEELQ-MRVPVSSYSA-N 2 0 185.271 -0.407 20 0 ABADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH3+] 379607114 409855801 /nfs/dbraw/zinc/85/58/01/409855801.db2.gz QWPMXPWGIDIWEM-JGVFFNPUSA-N 2 0 187.287 -0.177 20 0 ABADRP CC(C)[NH2+]CCC(=O)NC[C@@H](C)[NH3+] 379618054 409856053 /nfs/dbraw/zinc/85/60/53/409856053.db2.gz AUZDXALNTYZZMS-MRVPVSSYSA-N 2 0 187.287 -0.162 20 0 ABADRP C[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])C(C)(C)C 379602511 409856146 /nfs/dbraw/zinc/85/61/46/409856146.db2.gz MQWPLQGDQJAIEJ-RNFRBKRXSA-N 2 0 187.287 -0.177 20 0 ABADRP [NH3+][C@H]1CCC[C@@H]1N[C@H]1CC[NH2+]C1 665241577 409856249 /nfs/dbraw/zinc/85/62/49/409856249.db2.gz SDKABJJPTDZRAT-CIUDSAMLSA-N 2 0 169.272 -0.182 20 0 ABADRP CC(C)([NH3+])CNC(=O)CC(C)(C)[NH3+] 379602240 409856350 /nfs/dbraw/zinc/85/63/50/409856350.db2.gz MOVGLGVGBCZKDQ-UHFFFAOYSA-N 2 0 187.287 -0.033 20 0 ABADRP CC[NH2+][C@H](C)CNC(=O)C[C@H](C)[NH3+] 379599890 409856358 /nfs/dbraw/zinc/85/63/58/409856358.db2.gz KHRIMUHAZJAWCJ-JGVFFNPUSA-N 2 0 187.287 -0.162 20 0 ABADRP [NH3+][C@@H]1CCC[C@@H]1N[C@H]1CC[NH2+]C1 665241580 409856420 /nfs/dbraw/zinc/85/64/20/409856420.db2.gz SDKABJJPTDZRAT-YIZRAAEISA-N 2 0 169.272 -0.182 20 0 ABADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](C)[NH3+] 379598014 409856427 /nfs/dbraw/zinc/85/64/27/409856427.db2.gz GZLKNIZILVUTCD-IONNQARKSA-N 2 0 187.287 -0.177 20 0 ABADRP C[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[NH2+]1 379601807 409856484 /nfs/dbraw/zinc/85/64/84/409856484.db2.gz MFQPKOFMYAZUEL-YUMQZZPRSA-N 2 0 185.271 -0.408 20 0 ABADRP CCC[C@@](C)([NH3+])C(=O)NCC[NH2+]C 379618131 409857567 /nfs/dbraw/zinc/85/75/67/409857567.db2.gz BCEHKDYDAZFNEJ-SECBINFHSA-N 2 0 187.287 -0.161 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH3+] 379594375 409856659 /nfs/dbraw/zinc/85/66/59/409856659.db2.gz CPMJFRXPTAXNGQ-HTQZYQBOSA-N 2 0 185.271 -0.327 20 0 ABADRP [NH3+][C@H](CNC(=O)C1([NH3+])CC1)C1CC1 379599364 409856767 /nfs/dbraw/zinc/85/67/67/409856767.db2.gz JFUCYOXALMVASS-SSDOTTSWSA-N 2 0 183.255 -0.669 20 0 ABADRP CC(C)[NH2+]CCC(=O)NC[C@H](C)[NH3+] 379618055 409856798 /nfs/dbraw/zinc/85/67/98/409856798.db2.gz AUZDXALNTYZZMS-QMMMGPOBSA-N 2 0 187.287 -0.162 20 0 ABADRP CC(C)[C@@H]([NH3+])CNC(=O)C(C)(C)[NH3+] 379604139 409856809 /nfs/dbraw/zinc/85/68/09/409856809.db2.gz OVHNUJGVWYQEII-ZETCQYMHSA-N 2 0 187.287 -0.177 20 0 ABADRP [NH3+][C@@H](CNC(=O)C1([NH3+])CC1)C1CC1 379599365 409856824 /nfs/dbraw/zinc/85/68/24/409856824.db2.gz JFUCYOXALMVASS-ZETCQYMHSA-N 2 0 183.255 -0.669 20 0 ABADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC[NH2+]C1 665241702 409856830 /nfs/dbraw/zinc/85/68/30/409856830.db2.gz WQEQBKYTMDMSKB-KXUCPTDWSA-N 2 0 183.299 -0.064 20 0 ABADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH3+] 379606879 409857022 /nfs/dbraw/zinc/85/70/22/409857022.db2.gz QWPMXPWGIDIWEM-HTQZYQBOSA-N 2 0 187.287 -0.177 20 0 ABADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](C)[NH3+] 379598013 409857051 /nfs/dbraw/zinc/85/70/51/409857051.db2.gz GZLKNIZILVUTCD-CBAPKCEASA-N 2 0 187.287 -0.177 20 0 ABADRP C[C@H]1CC[NH2+]C[C@H]1N[C@H]1CC[NH2+]C1 665241703 409857058 /nfs/dbraw/zinc/85/70/58/409857058.db2.gz WQEQBKYTMDMSKB-LPEHRKFASA-N 2 0 183.299 -0.064 20 0 ABADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](C)C[NH3+] 379594812 409857327 /nfs/dbraw/zinc/85/73/27/409857327.db2.gz DAVRNARBXAESTE-JGVFFNPUSA-N 2 0 187.287 -0.305 20 0 ABADRP [NH3+][C@@H]1CCC[C@H]1N[C@H]1CC[NH2+]C1 665241578 409857542 /nfs/dbraw/zinc/85/75/42/409857542.db2.gz SDKABJJPTDZRAT-DJLDLDEBSA-N 2 0 169.272 -0.182 20 0 ABADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](C)[NH3+] 379598012 409857543 /nfs/dbraw/zinc/85/75/43/409857543.db2.gz GZLKNIZILVUTCD-APPZFPTMSA-N 2 0 187.287 -0.177 20 0 ABADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](C)[NH3+] 379598128 409857730 /nfs/dbraw/zinc/85/77/30/409857730.db2.gz GZLKNIZILVUTCD-VXNVDRBHSA-N 2 0 187.287 -0.177 20 0 ABADRP CC(C)[C@H]([NH3+])CNC(=O)C(C)(C)[NH3+] 379604138 409857761 /nfs/dbraw/zinc/85/77/61/409857761.db2.gz OVHNUJGVWYQEII-SSDOTTSWSA-N 2 0 187.287 -0.177 20 0 ABADRP C[NH2+]CCC(=O)NC[C@H]([NH3+])C1CC1 379639172 409859797 /nfs/dbraw/zinc/85/97/97/409859797.db2.gz SYXGOOVDPWFOAL-QMMMGPOBSA-N 2 0 185.271 -0.551 20 0 ABADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[NH2+]C1 665241704 409858463 /nfs/dbraw/zinc/85/84/63/409858463.db2.gz WQEQBKYTMDMSKB-UTLUCORTSA-N 2 0 183.299 -0.064 20 0 ABADRP [NH3+][C@H]1CCC[C@H]1N[C@H]1CC[NH2+]C1 665241579 409858600 /nfs/dbraw/zinc/85/86/00/409858600.db2.gz SDKABJJPTDZRAT-XHNCKOQMSA-N 2 0 169.272 -0.182 20 0 ABADRP C[C@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[NH2+]C1 665241701 409858608 /nfs/dbraw/zinc/85/86/08/409858608.db2.gz WQEQBKYTMDMSKB-GUBZILKMSA-N 2 0 183.299 -0.064 20 0 ABADRP CCC[NH2+]CCNC(=O)[C@H](C)C[NH3+] 379621989 409858890 /nfs/dbraw/zinc/85/88/90/409858890.db2.gz GHGLQGFWHARLAD-MRVPVSSYSA-N 2 0 187.287 -0.303 20 0 ABADRP C[C@H]([NH3+])C(=O)NCC[NH2+]C(C)(C)C 379623890 409859024 /nfs/dbraw/zinc/85/90/24/409859024.db2.gz IHTORYHSVLPFSS-ZETCQYMHSA-N 2 0 187.287 -0.162 20 0 ABADRP CCC[C@](C)([NH3+])C(=O)NC[C@H](C)[NH3+] 379620032 409859066 /nfs/dbraw/zinc/85/90/66/409859066.db2.gz DGFZJENQRZBPAE-CBAPKCEASA-N 2 0 187.287 -0.033 20 0 ABADRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])CC 379634975 409859200 /nfs/dbraw/zinc/85/92/00/409859200.db2.gz QJYLYKDJKMLTMA-MRVPVSSYSA-N 2 0 187.287 -0.161 20 0 ABADRP CCCC[C@@H](C[NH3+])NC(=O)CC[NH3+] 379621356 409859325 /nfs/dbraw/zinc/85/93/25/409859325.db2.gz FSHIVRQCXVCTNC-QMMMGPOBSA-N 2 0 187.287 -0.031 20 0 ABADRP C[NH2+]CCCC(=O)N[C@H](C)CC[NH3+] 379621677 409859346 /nfs/dbraw/zinc/85/93/46/409859346.db2.gz GEWWZDBFXBPSIO-MRVPVSSYSA-N 2 0 187.287 -0.161 20 0 ABADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[NH2+]1 379641083 409859374 /nfs/dbraw/zinc/85/93/74/409859374.db2.gz UYFQQBWGPPBJHQ-QMMMGPOBSA-N 2 0 185.271 -0.407 20 0 ABADRP CCC[NH2+]CCNC(=O)[C@@H](C)C[NH3+] 379621990 409859500 /nfs/dbraw/zinc/85/95/00/409859500.db2.gz GHGLQGFWHARLAD-QMMMGPOBSA-N 2 0 187.287 -0.303 20 0 ABADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C)[NH3+] 379620034 409859510 /nfs/dbraw/zinc/85/95/10/409859510.db2.gz DGFZJENQRZBPAE-VXNVDRBHSA-N 2 0 187.287 -0.033 20 0 ABADRP CCCC[C@H](C[NH3+])NC(=O)CC[NH3+] 379621355 409859523 /nfs/dbraw/zinc/85/95/23/409859523.db2.gz FSHIVRQCXVCTNC-MRVPVSSYSA-N 2 0 187.287 -0.031 20 0 ABADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)C[NH3+] 379633188 409859592 /nfs/dbraw/zinc/85/95/92/409859592.db2.gz PNYGTEHKYXBJPI-HTQZYQBOSA-N 2 0 187.287 -0.447 20 0 ABADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H](C)[NH3+] 379620033 409859633 /nfs/dbraw/zinc/85/96/33/409859633.db2.gz DGFZJENQRZBPAE-IONNQARKSA-N 2 0 187.287 -0.033 20 0 ABADRP [NH3+]CCOCCN1CCC[C@H]([NH3+])C1 379629188 409859764 /nfs/dbraw/zinc/85/97/64/409859764.db2.gz LXPNMDZYANOIQS-VIFPVBQESA-N 3 0 187.287 -0.615 20 0 ABADRP CC[C@@H](O)C[NH2+][C@H](C)C1C[NH2+]C1 665261407 409860202 /nfs/dbraw/zinc/86/02/02/409860202.db2.gz BOTIXIUKEZINPI-VXNVDRBHSA-N 2 0 172.272 -0.045 20 0 ABADRP C[NH2+]CCC(=O)N1CCC[C@@H]1C[NH3+] 379625071 409860206 /nfs/dbraw/zinc/86/02/06/409860206.db2.gz JLEQBYCMOAFCNS-MRVPVSSYSA-N 2 0 185.271 -0.454 20 0 ABADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)C[NH3+] 379633191 409860393 /nfs/dbraw/zinc/86/03/93/409860393.db2.gz PNYGTEHKYXBJPI-YUMQZZPRSA-N 2 0 187.287 -0.447 20 0 ABADRP C[NH2+]CCCC(=O)N(C)[C@H](C)C[NH3+] 379632266 409860418 /nfs/dbraw/zinc/86/04/18/409860418.db2.gz OSQRLGXMEAFZRD-MRVPVSSYSA-N 2 0 187.287 -0.208 20 0 ABADRP [NH3+]CCOCCN1CCC[C@@H]([NH3+])C1 379629180 409860437 /nfs/dbraw/zinc/86/04/37/409860437.db2.gz LXPNMDZYANOIQS-SECBINFHSA-N 3 0 187.287 -0.615 20 0 ABADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)C[NH3+] 379633189 409860528 /nfs/dbraw/zinc/86/05/28/409860528.db2.gz PNYGTEHKYXBJPI-JGVFFNPUSA-N 2 0 187.287 -0.447 20 0 ABADRP C[NH2+]CCC(=O)NC[C@@H]([NH3+])C1CC1 379639161 409860545 /nfs/dbraw/zinc/86/05/45/409860545.db2.gz SYXGOOVDPWFOAL-MRVPVSSYSA-N 2 0 185.271 -0.551 20 0 ABADRP CC[NH2+]CCCNC(=O)CCC[NH3+] 379622078 409860652 /nfs/dbraw/zinc/86/06/52/409860652.db2.gz GQAVQZGGIRBAHE-UHFFFAOYSA-N 2 0 187.287 -0.159 20 0 ABADRP C[NH2+]CCCC(=O)N(C)[C@@H](C)C[NH3+] 379632267 409860704 /nfs/dbraw/zinc/86/07/04/409860704.db2.gz OSQRLGXMEAFZRD-QMMMGPOBSA-N 2 0 187.287 -0.208 20 0 ABADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H](C)[NH3+] 379620031 409860807 /nfs/dbraw/zinc/86/08/07/409860807.db2.gz DGFZJENQRZBPAE-APPZFPTMSA-N 2 0 187.287 -0.033 20 0 ABADRP C[NH2+]C[C@H](C)C(=O)NC[C@H](C)C[NH3+] 379633190 409860958 /nfs/dbraw/zinc/86/09/58/409860958.db2.gz PNYGTEHKYXBJPI-SFYZADRCSA-N 2 0 187.287 -0.447 20 0 ABADRP [NH3+]CCC(=O)NC[C@H]1CCCC[NH2+]1 379641082 409861135 /nfs/dbraw/zinc/86/11/35/409861135.db2.gz UYFQQBWGPPBJHQ-MRVPVSSYSA-N 2 0 185.271 -0.407 20 0 ABADRP C[NH2+]CCCC(=O)N[C@@H](C)CC[NH3+] 379621678 409861193 /nfs/dbraw/zinc/86/11/93/409861193.db2.gz GEWWZDBFXBPSIO-QMMMGPOBSA-N 2 0 187.287 -0.161 20 0 ABADRP C[NH2+][C@H]1CCN(CCOCC[NH3+])C1 379662568 409862432 /nfs/dbraw/zinc/86/24/32/409862432.db2.gz RQMHYISHQKTWMI-VIFPVBQESA-N 2 0 187.287 -0.745 20 0 ABADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1CCC[NH2+]1 379645302 409862453 /nfs/dbraw/zinc/86/24/53/409862453.db2.gz XPQYKRFIHUVMRQ-JGVFFNPUSA-N 2 0 185.271 -0.551 20 0 ABADRP CN(CC(C)(C)C[NH3+])C(=O)CC[NH3+] 379661118 409862640 /nfs/dbraw/zinc/86/26/40/409862640.db2.gz PSHFIMQYZZLTSI-UHFFFAOYSA-N 2 0 187.287 -0.222 20 0 ABADRP C[NH2+]CCNC(=O)[C@@H]1CCCC[NH2+]1 379657927 409862687 /nfs/dbraw/zinc/86/26/87/409862687.db2.gz MXVGEINTKLCVIB-QMMMGPOBSA-N 2 0 185.271 -0.536 20 0 ABADRP CC[C@@H](O)C[NH2+][C@@H](C)C1C[NH2+]C1 665261406 409862804 /nfs/dbraw/zinc/86/28/04/409862804.db2.gz BOTIXIUKEZINPI-IONNQARKSA-N 2 0 172.272 -0.045 20 0 ABADRP C[NH2+]CCC(=O)NC[C@@H]1CCC[NH2+]1 379656942 409862869 /nfs/dbraw/zinc/86/28/69/409862869.db2.gz LZFLKRLHFUDSHG-QMMMGPOBSA-N 2 0 185.271 -0.536 20 0 ABADRP C[C@H](C[NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 379645305 409863017 /nfs/dbraw/zinc/86/30/17/409863017.db2.gz XPQYKRFIHUVMRQ-SFYZADRCSA-N 2 0 185.271 -0.551 20 0 ABADRP C[NH2+]CCC(=O)NC[C@H]1CCC[NH2+]1 379656939 409863053 /nfs/dbraw/zinc/86/30/53/409863053.db2.gz LZFLKRLHFUDSHG-MRVPVSSYSA-N 2 0 185.271 -0.536 20 0 ABADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C)[NH3+] 379652082 409863092 /nfs/dbraw/zinc/86/30/92/409863092.db2.gz GGDYUQJJUIPXSZ-JGVFFNPUSA-N 2 0 187.287 -0.177 20 0 ABADRP C[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@H]1C 379654849 409863126 /nfs/dbraw/zinc/86/31/26/409863126.db2.gz JLXLSQMIJNKVKC-YUMQZZPRSA-N 2 0 185.271 -0.680 20 0 ABADRP C[NH2+]C[C@H](C)C(=O)N(C)[C@@H](C)C[NH3+] 379656590 409863161 /nfs/dbraw/zinc/86/31/61/409863161.db2.gz LKYHFIKSQVDYCL-YUMQZZPRSA-N 2 0 187.287 -0.353 20 0 ABADRP C[NH2+]CC(=O)N[C@@](C)(C[NH3+])C1CC1 379661814 409863169 /nfs/dbraw/zinc/86/31/69/409863169.db2.gz QQQOEIUQHRCHOW-VIFPVBQESA-N 2 0 185.271 -0.551 20 0 ABADRP C[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C 379654846 409863232 /nfs/dbraw/zinc/86/32/32/409863232.db2.gz JLXLSQMIJNKVKC-HTQZYQBOSA-N 2 0 185.271 -0.680 20 0 ABADRP C[NH2+]CC(=O)NC1(C[NH3+])CCCC1 379652265 409863237 /nfs/dbraw/zinc/86/32/37/409863237.db2.gz GLJUOTQITGQSOI-UHFFFAOYSA-N 2 0 185.271 -0.407 20 0 ABADRP C[NH2+]CC(=O)N[C@](C)(C[NH3+])C1CC1 379661813 409863291 /nfs/dbraw/zinc/86/32/91/409863291.db2.gz QQQOEIUQHRCHOW-SECBINFHSA-N 2 0 185.271 -0.551 20 0 ABADRP C[NH2+][C@@H]1CCN(CCOCC[NH3+])C1 379662566 409863349 /nfs/dbraw/zinc/86/33/49/409863349.db2.gz RQMHYISHQKTWMI-SECBINFHSA-N 2 0 187.287 -0.745 20 0 ABADRP C[C@@H](C[NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 379645306 409863385 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LKYHFIKSQVDYCL-SFYZADRCSA-N 2 0 187.287 -0.353 20 0 ABADRP C[NH2+]CCCC(=O)N[C@@H]1CC[NH2+]C1 379656074 409863822 /nfs/dbraw/zinc/86/38/22/409863822.db2.gz KVDQKHAETGQZAD-MRVPVSSYSA-N 2 0 185.271 -0.536 20 0 ABADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](C)[NH3+] 379652083 409863917 /nfs/dbraw/zinc/86/39/17/409863917.db2.gz GGDYUQJJUIPXSZ-YUMQZZPRSA-N 2 0 187.287 -0.177 20 0 ABADRP C[NH2+]C[C@@H](C)C(=O)N(C)[C@H](C)C[NH3+] 379656582 409864346 /nfs/dbraw/zinc/86/43/46/409864346.db2.gz LKYHFIKSQVDYCL-HTQZYQBOSA-N 2 0 187.287 -0.353 20 0 ABADRP C[NH2+]CCCN1C[C@@H]2C[NH2+]C[C@@H]2C1 379654593 409864370 /nfs/dbraw/zinc/86/43/70/409864370.db2.gz JCWSBIFYDKMEDF-AOOOYVTPSA-N 2 0 183.299 -0.253 20 0 ABADRP C[C@H](C[NH3+])C(=O)NC[C@H]1CCC[NH2+]1 379645293 409864445 /nfs/dbraw/zinc/86/44/45/409864445.db2.gz XPQYKRFIHUVMRQ-HTQZYQBOSA-N 2 0 185.271 -0.551 20 0 ABADRP C[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@H]1C 379654847 409864467 /nfs/dbraw/zinc/86/44/67/409864467.db2.gz JLXLSQMIJNKVKC-JGVFFNPUSA-N 2 0 185.271 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C[C@@H](C[NH3+])N(C)C(=O)[C@H](C)[NH+](C)C 379776592 409866129 /nfs/dbraw/zinc/86/61/29/409866129.db2.gz DEAXXUTWCBMRBF-YUMQZZPRSA-N 2 0 187.287 -0.258 20 0 ABADRP [NH3+]CCCCC(=O)NC[C@@H]([NH3+])C1CC1 379819776 409866340 /nfs/dbraw/zinc/86/63/40/409866340.db2.gz SXNXYUMQEUXTSZ-SECBINFHSA-N 2 0 199.298 -0.031 20 0 ABADRP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 379773587 409866537 /nfs/dbraw/zinc/86/65/37/409866537.db2.gz BTUCQJUCQPNGJE-RKDXNWHRSA-N 2 0 199.298 -0.210 20 0 ABADRP CC(C)[C@H]([NH3+])CNC(=O)C[NH2+]C1CC1 379771178 409866789 /nfs/dbraw/zinc/86/67/89/409866789.db2.gz AJAWKXJARVWPDP-SECBINFHSA-N 2 0 199.298 -0.162 20 0 ABADRP CC(C)(C[NH3+])C(=O)NC[C@H]1CCC[NH2+]1 379799090 409867142 /nfs/dbraw/zinc/86/71/42/409867142.db2.gz LLDTVIMUZAETRM-MRVPVSSYSA-N 2 0 199.298 -0.161 20 0 ABADRP CC(C)([NH3+])CNC(=O)C[NH2+]CC1CC1 379783222 409867309 /nfs/dbraw/zinc/86/73/09/409867309.db2.gz GVXIJRONXZLJRV-UHFFFAOYSA-N 2 0 199.298 -0.161 20 0 ABADRP CC(C)([NH3+])CC(=O)NC[C@H]1CCC[NH2+]1 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/nfs/dbraw/zinc/87/24/58/409872458.db2.gz LNRNJTIVPPOVLJ-RBXMUDONSA-N 2 0 197.282 -0.695 20 0 ABADRP C[NH2+]C[C@@H](C)N[C@H](C)C1C[NH2+]C1 665297307 409872688 /nfs/dbraw/zinc/87/26/88/409872688.db2.gz CXZGBKCSDGGQOM-HTQZYQBOSA-N 2 0 171.288 -0.208 20 0 ABADRP C[NH2+]C[C@@H](C)N[C@@H](C)C1C[NH2+]C1 665297309 409873188 /nfs/dbraw/zinc/87/31/88/409873188.db2.gz CXZGBKCSDGGQOM-SFYZADRCSA-N 2 0 171.288 -0.208 20 0 ABADRP C[NH2+]CCC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 380234224 409873513 /nfs/dbraw/zinc/87/35/13/409873513.db2.gz MCRACMIACRYEFQ-DTWKUNHWSA-N 2 0 199.298 -0.208 20 0 ABADRP CC[NH2+]CCNC(=O)[C@H](C)[NH+](C)C 380250323 409873552 /nfs/dbraw/zinc/87/35/52/409873552.db2.gz PBSHTWOTDGDAON-QMMMGPOBSA-N 2 0 187.287 -0.338 20 0 ABADRP C[NH2+]CCC(=O)NC1(C)CC[NH2+]CC1 380183465 409873632 /nfs/dbraw/zinc/87/36/32/409873632.db2.gz GKRUIHIAXKCMCG-UHFFFAOYSA-N 2 0 199.298 -0.146 20 0 ABADRP C[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] 380228740 409873705 /nfs/dbraw/zinc/87/37/05/409873705.db2.gz KVBQLDYTKYFBOV-RKDXNWHRSA-N 2 0 199.298 -0.161 20 0 ABADRP C[NH2+]CCCC(=O)NC[C@H]1CCC[NH2+]1 380200530 409873999 /nfs/dbraw/zinc/87/39/99/409873999.db2.gz SWULKEZTVAPUNK-SECBINFHSA-N 2 0 199.298 -0.146 20 0 ABADRP C[NH2+]CC(=O)N1CCC([C@@H](C)[NH3+])CC1 380260510 409874046 /nfs/dbraw/zinc/87/40/46/409874046.db2.gz RISXRWDDCFWOSI-MRVPVSSYSA-N 2 0 199.298 -0.208 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@@H]1C 380239378 409874131 /nfs/dbraw/zinc/87/41/31/409874131.db2.gz NBLYEHDJEWCYET-CIUDSAMLSA-N 2 0 199.298 -0.081 20 0 ABADRP C[NH2+]CCCC(=O)NC[C@@H]1CCC[NH2+]1 380200539 409874157 /nfs/dbraw/zinc/87/41/57/409874157.db2.gz SWULKEZTVAPUNK-VIFPVBQESA-N 2 0 199.298 -0.146 20 0 ABADRP C[NH2+]CCC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 380234225 409874180 /nfs/dbraw/zinc/87/41/80/409874180.db2.gz MCRACMIACRYEFQ-IUCAKERBSA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] 380228738 409874274 /nfs/dbraw/zinc/87/42/74/409874274.db2.gz KVBQLDYTKYFBOV-DTWKUNHWSA-N 2 0 199.298 -0.161 20 0 ABADRP C[NH2+]CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] 380279138 409874367 /nfs/dbraw/zinc/87/43/67/409874367.db2.gz YNIFQBRDCLIJOI-BDAKNGLRSA-N 2 0 199.298 -0.208 20 0 ABADRP CCCN(C(=O)CC[NH3+])[C@H]1CC[NH2+]C1 380258448 409874407 /nfs/dbraw/zinc/87/44/07/409874407.db2.gz QWTCGXXEMRTFCB-VIFPVBQESA-N 2 0 199.298 -0.064 20 0 ABADRP CC1(C)C[NH2+]CCN1C(=O)CCC[NH3+] 380214988 409874431 /nfs/dbraw/zinc/87/44/31/409874431.db2.gz HXEOPZVNSHQWTG-UHFFFAOYSA-N 2 0 199.298 -0.064 20 0 ABADRP C[NH2+]CCC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 380234223 409874488 /nfs/dbraw/zinc/87/44/88/409874488.db2.gz MCRACMIACRYEFQ-BDAKNGLRSA-N 2 0 199.298 -0.208 20 0 ABADRP C[C@H]([NH3+])CCNC(=O)[C@]1(C)CC[NH2+]C1 380233316 409874498 /nfs/dbraw/zinc/87/44/98/409874498.db2.gz LSZXFWHRQLABAH-WCBMZHEXSA-N 2 0 199.298 -0.161 20 0 ABADRP C[NH2+]CCCNC(=O)[C@@H]1CC[NH2+][C@H]1C 380262511 409874525 /nfs/dbraw/zinc/87/45/25/409874525.db2.gz SAUWGEMINDCSTP-DTWKUNHWSA-N 2 0 199.298 -0.290 20 0 ABADRP C[NH2+]CCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C 380262513 409874596 /nfs/dbraw/zinc/87/45/96/409874596.db2.gz SAUWGEMINDCSTP-RKDXNWHRSA-N 2 0 199.298 -0.290 20 0 ABADRP CC(C)[C@H](C(=O)NCC[NH3+])[NH+](C)C 380277155 409874661 /nfs/dbraw/zinc/87/46/61/409874661.db2.gz XXERPZXCIIDNLW-MRVPVSSYSA-N 2 0 187.287 -0.353 20 0 ABADRP C[NH2+]CCCNC(=O)[C@H]1CC[NH2+][C@H]1C 380262512 409874723 /nfs/dbraw/zinc/87/47/23/409874723.db2.gz SAUWGEMINDCSTP-IUCAKERBSA-N 2 0 199.298 -0.290 20 0 ABADRP C[NH2+]CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] 380279139 409874732 /nfs/dbraw/zinc/87/47/32/409874732.db2.gz YNIFQBRDCLIJOI-DTWKUNHWSA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH2+]CCC(=O)N1CCC[C@H]1C[NH2+]C 380238411 409874774 /nfs/dbraw/zinc/87/47/74/409874774.db2.gz MVXSTTZJZAOOGO-VIFPVBQESA-N 2 0 199.298 -0.194 20 0 ABADRP C[NH2+]CC(=O)N1CCC([C@H](C)[NH3+])CC1 380260519 409874781 /nfs/dbraw/zinc/87/47/81/409874781.db2.gz RISXRWDDCFWOSI-QMMMGPOBSA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH2+]CCCC(=O)N1CC[C@H]([NH2+]C)C1 380270904 409874939 /nfs/dbraw/zinc/87/49/39/409874939.db2.gz WBKPUFTVNFJKNS-VIFPVBQESA-N 2 0 199.298 -0.194 20 0 ABADRP [NH3+][C@@H]1CCN(C(=O)C[NH2+]CC2CC2)C1 380255104 409874953 /nfs/dbraw/zinc/87/49/53/409874953.db2.gz QBKNNUQTBOFDAO-SECBINFHSA-N 2 0 197.282 -0.454 20 0 ABADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CC[NH2+]1 380233356 409875006 /nfs/dbraw/zinc/87/50/06/409875006.db2.gz LTNWMQRXYWVOTH-MRVPVSSYSA-N 2 0 199.298 -0.018 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C 380239383 409875086 /nfs/dbraw/zinc/87/50/86/409875086.db2.gz NBLYEHDJEWCYET-YIZRAAEISA-N 2 0 199.298 -0.081 20 0 ABADRP C[NH2+]CCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 380264740 409875212 /nfs/dbraw/zinc/87/52/12/409875212.db2.gz SVYSKPRRLBDCBL-IUCAKERBSA-N 2 0 199.298 -0.018 20 0 ABADRP C[NH2+]CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] 380228739 409875223 /nfs/dbraw/zinc/87/52/23/409875223.db2.gz KVBQLDYTKYFBOV-IUCAKERBSA-N 2 0 199.298 -0.161 20 0 ABADRP CC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@@H]1C 380205726 409875254 /nfs/dbraw/zinc/87/52/54/409875254.db2.gz WEUBVSXZSJQYJN-BDAKNGLRSA-N 2 0 199.298 -0.290 20 0 ABADRP [NH3+]CCCC(=O)NCC[C@@H]1CC[NH2+]C1 380263537 409875266 /nfs/dbraw/zinc/87/52/66/409875266.db2.gz SNJJDNLMTNPPGQ-VIFPVBQESA-N 2 0 199.298 -0.159 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@H]1C 380239381 409875292 /nfs/dbraw/zinc/87/52/92/409875292.db2.gz NBLYEHDJEWCYET-HLTSFMKQSA-N 2 0 199.298 -0.081 20 0 ABADRP CC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@H]1C 380239382 409875321 /nfs/dbraw/zinc/87/53/21/409875321.db2.gz NBLYEHDJEWCYET-VGMNWLOBSA-N 2 0 199.298 -0.081 20 0 ABADRP C[NH2+]CCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 380264742 409875335 /nfs/dbraw/zinc/87/53/35/409875335.db2.gz SVYSKPRRLBDCBL-RKDXNWHRSA-N 2 0 199.298 -0.018 20 0 ABADRP C[C@@H](CC[NH3+])NC(=O)C[NH2+]CC1CC1 380271731 409875426 /nfs/dbraw/zinc/87/54/26/409875426.db2.gz WLOZKKXEWXMSON-QMMMGPOBSA-N 2 0 199.298 -0.161 20 0 ABADRP C[NH2+]CCCC(=O)N1CC[C@@H]([NH2+]C)C1 380270899 409875451 /nfs/dbraw/zinc/87/54/51/409875451.db2.gz WBKPUFTVNFJKNS-SECBINFHSA-N 2 0 199.298 -0.194 20 0 ABADRP CC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@H]1C 380205733 409875465 /nfs/dbraw/zinc/87/54/65/409875465.db2.gz WEUBVSXZSJQYJN-IUCAKERBSA-N 2 0 199.298 -0.290 20 0 ABADRP CC(C)C[C@@H]([NH3+])C(=O)NCC1C[NH2+]C1 380271474 409875486 /nfs/dbraw/zinc/87/54/86/409875486.db2.gz WGJJJABHLBUCLL-SECBINFHSA-N 2 0 199.298 -0.305 20 0 ABADRP CC[NH2+]CCNC(=O)C1([NH3+])CCCC1 380255662 409875540 /nfs/dbraw/zinc/87/55/40/409875540.db2.gz QFQMALOQFLTQFR-UHFFFAOYSA-N 2 0 199.298 -0.016 20 0 ABADRP C[NH2+]CCC(=O)N1CCC[C@@H]1C[NH2+]C 380238407 409875662 /nfs/dbraw/zinc/87/56/62/409875662.db2.gz MVXSTTZJZAOOGO-SECBINFHSA-N 2 0 199.298 -0.194 20 0 ABADRP C[NH2+]CCC(=O)N1CCC[C@@H]([NH2+]C)C1 380226938 409875696 /nfs/dbraw/zinc/87/56/96/409875696.db2.gz KJMURAUJEDDARZ-SECBINFHSA-N 2 0 199.298 -0.194 20 0 ABADRP CCCN(C(=O)CC[NH3+])[C@@H]1CC[NH2+]C1 380258444 409875735 /nfs/dbraw/zinc/87/57/35/409875735.db2.gz QWTCGXXEMRTFCB-SECBINFHSA-N 2 0 199.298 -0.064 20 0 ABADRP [NH3+]CCCC(=O)NCC[C@H]1CC[NH2+]C1 380263536 409875753 /nfs/dbraw/zinc/87/57/53/409875753.db2.gz SNJJDNLMTNPPGQ-SECBINFHSA-N 2 0 199.298 -0.159 20 0 ABADRP CC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@H]1C 380205732 409875793 /nfs/dbraw/zinc/87/57/93/409875793.db2.gz WEUBVSXZSJQYJN-DTWKUNHWSA-N 2 0 199.298 -0.290 20 0 ABADRP C[NH2+]CCC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 380234228 409875885 /nfs/dbraw/zinc/87/58/85/409875885.db2.gz MCRACMIACRYEFQ-RKDXNWHRSA-N 2 0 199.298 -0.208 20 0 ABADRP CC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C 380205735 409875919 /nfs/dbraw/zinc/87/59/19/409875919.db2.gz WEUBVSXZSJQYJN-RKDXNWHRSA-N 2 0 199.298 -0.290 20 0 ABADRP C[NH2+]CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] 380279140 409875947 /nfs/dbraw/zinc/87/59/47/409875947.db2.gz YNIFQBRDCLIJOI-IUCAKERBSA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] 380228735 409875968 /nfs/dbraw/zinc/87/59/68/409875968.db2.gz KVBQLDYTKYFBOV-BDAKNGLRSA-N 2 0 199.298 -0.161 20 0 ABADRP C[NH2+]CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] 380279141 409876021 /nfs/dbraw/zinc/87/60/21/409876021.db2.gz YNIFQBRDCLIJOI-RKDXNWHRSA-N 2 0 199.298 -0.208 20 0 ABADRP C[C@H](CC[NH3+])NC(=O)C[NH2+]CC1CC1 380271728 409876057 /nfs/dbraw/zinc/87/60/57/409876057.db2.gz WLOZKKXEWXMSON-MRVPVSSYSA-N 2 0 199.298 -0.161 20 0 ABADRP C[C@H]([NH3+])CCNC(=O)[C@@]1(C)CC[NH2+]C1 380233320 409876068 /nfs/dbraw/zinc/87/60/68/409876068.db2.gz LSZXFWHRQLABAH-WPRPVWTQSA-N 2 0 199.298 -0.161 20 0 ABADRP C[NH2+]CCC(=O)N1CCC[C@H]([NH2+]C)C1 380226947 409876099 /nfs/dbraw/zinc/87/60/99/409876099.db2.gz KJMURAUJEDDARZ-VIFPVBQESA-N 2 0 199.298 -0.194 20 0 ABADRP CC[NH2+]CCNC(=O)CC1([NH3+])CCC1 380183835 409876135 /nfs/dbraw/zinc/87/61/35/409876135.db2.gz GQIYCJFFYKKWQL-UHFFFAOYSA-N 2 0 199.298 -0.016 20 0 ABADRP CC(C)[C@@H](C(=O)NCC[NH3+])[NH+](C)C 380277157 409876150 /nfs/dbraw/zinc/87/61/50/409876150.db2.gz XXERPZXCIIDNLW-QMMMGPOBSA-N 2 0 187.287 -0.353 20 0 ABADRP C[NH2+]CCC(=O)NC1(C[NH3+])CCCC1 380259770 409876162 /nfs/dbraw/zinc/87/61/62/409876162.db2.gz RDTDXAAAHYDOEM-UHFFFAOYSA-N 2 0 199.298 -0.016 20 0 ABADRP C[NH2+]CCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 380264736 409876229 /nfs/dbraw/zinc/87/62/29/409876229.db2.gz SVYSKPRRLBDCBL-BDAKNGLRSA-N 2 0 199.298 -0.018 20 0 ABADRP C[NH2+]CCCNC(=O)[C@H]1CC[NH2+][C@@H]1C 380262510 409876289 /nfs/dbraw/zinc/87/62/89/409876289.db2.gz SAUWGEMINDCSTP-BDAKNGLRSA-N 2 0 199.298 -0.290 20 0 ABADRP C[NH2+]CCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 380264738 409876348 /nfs/dbraw/zinc/87/63/48/409876348.db2.gz SVYSKPRRLBDCBL-DTWKUNHWSA-N 2 0 199.298 -0.018 20 0 ABADRP [NH3+]CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 381258179 409877420 /nfs/dbraw/zinc/87/74/20/409877420.db2.gz RHSZCFXFYGBIHA-SECBINFHSA-N 2 0 197.282 -0.454 20 0 ABADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH3+])C1 381179879 409877457 /nfs/dbraw/zinc/87/74/57/409877457.db2.gz VZHOECJDWXVBCP-VIFPVBQESA-N 2 0 199.298 -0.112 20 0 ABADRP CN(CCC[NH3+])C(=O)[C@@H]1[NH2+]CC1(C)C 380316108 409877557 /nfs/dbraw/zinc/87/75/57/409877557.db2.gz IXOJGEUUKVIMBF-QMMMGPOBSA-N 2 0 199.298 -0.208 20 0 ABADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH3+])C1 381111963 409877859 /nfs/dbraw/zinc/87/78/59/409877859.db2.gz GCYNVIDXVYESPL-VIFPVBQESA-N 2 0 199.298 -0.255 20 0 ABADRP C[NH2+]CCCC(=O)N1CC[NH2+][C@@H](C)C1 380331976 409877910 /nfs/dbraw/zinc/87/79/10/409877910.db2.gz OMKORQFLHQYWII-VIFPVBQESA-N 2 0 199.298 -0.194 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 380320004 409877951 /nfs/dbraw/zinc/87/79/51/409877951.db2.gz KEHQFGYMXCQEPF-PSASIEDQSA-N 2 0 199.298 -0.079 20 0 ABADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C[NH3+] 381250680 409878258 /nfs/dbraw/zinc/87/82/58/409878258.db2.gz PFWIAKXMCYZMGE-SECBINFHSA-N 2 0 199.298 -0.064 20 0 ABADRP CN(CCC[NH3+])C(=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 380315318 409878295 /nfs/dbraw/zinc/87/82/95/409878295.db2.gz IQYALJLFWDURID-BRPSZJMVSA-N 2 0 197.282 -0.741 20 0 ABADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 380320005 409878305 /nfs/dbraw/zinc/87/83/05/409878305.db2.gz KEHQFGYMXCQEPF-SCZZXKLOSA-N 2 0 199.298 -0.079 20 0 ABADRP C[C@H](C[NH3+])CNC(=O)C1([NH3+])CCCC1 380316512 409878843 /nfs/dbraw/zinc/87/88/43/409878843.db2.gz JBJXPQRNWAPRKI-MRVPVSSYSA-N 2 0 199.298 -0.031 20 0 ABADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C[NH3+] 381250681 409878860 /nfs/dbraw/zinc/87/88/60/409878860.db2.gz PFWIAKXMCYZMGE-VIFPVBQESA-N 2 0 199.298 -0.064 20 0 ABADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH3+])C1 381111959 409878901 /nfs/dbraw/zinc/87/89/01/409878901.db2.gz GCYNVIDXVYESPL-SECBINFHSA-N 2 0 199.298 -0.255 20 0 ABADRP CN(CCC[NH3+])C(=O)[C@H]1[NH2+]CC1(C)C 380316097 409879360 /nfs/dbraw/zinc/87/93/60/409879360.db2.gz IXOJGEUUKVIMBF-MRVPVSSYSA-N 2 0 199.298 -0.208 20 0 ABADRP C[C@@H](C[NH3+])CNC(=O)C1([NH3+])CCCC1 380316518 409879593 /nfs/dbraw/zinc/87/95/93/409879593.db2.gz JBJXPQRNWAPRKI-QMMMGPOBSA-N 2 0 199.298 -0.031 20 0 ABADRP [NH3+]CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 381258180 409879716 /nfs/dbraw/zinc/87/97/16/409879716.db2.gz RHSZCFXFYGBIHA-VIFPVBQESA-N 2 0 197.282 -0.454 20 0 ABADRP CN(CCC[NH3+])C(=O)C[NH2+]CC1CC1 380355972 409879847 /nfs/dbraw/zinc/87/98/47/409879847.db2.gz WSZWJTUSHWVJHK-UHFFFAOYSA-N 2 0 199.298 -0.207 20 0 ABADRP C[C@@H](C(=O)NCC1([NH3+])CCC1)[NH+](C)C 381354133 409879990 /nfs/dbraw/zinc/87/99/90/409879990.db2.gz CICAPQIASCFBGC-QMMMGPOBSA-N 2 0 199.298 -0.066 20 0 ABADRP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H](C)[NH3+])C1 381436077 409881133 /nfs/dbraw/zinc/88/11/33/409881133.db2.gz XWDISJQJBXYIRJ-DTWKUNHWSA-N 2 0 199.298 -0.208 20 0 ABADRP C[C@@H](C(=O)NCC[NH2+]C1CC1)[NH+](C)C 381502370 409880415 /nfs/dbraw/zinc/88/04/15/409880415.db2.gz PXAZNUDOZZVRLE-QMMMGPOBSA-N 2 0 199.298 -0.195 20 0 ABADRP [NH3+]CCCC(=O)NC[C@H]([NH3+])C1CC1 381560647 409880612 /nfs/dbraw/zinc/88/06/12/409880612.db2.gz KZLLTSCRGIKJME-QMMMGPOBSA-N 2 0 185.271 -0.421 20 0 ABADRP C[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)NCC[NH3+] 381453770 409880781 /nfs/dbraw/zinc/88/07/81/409880781.db2.gz HPXDTYCHTMQQCS-DTORHVGOSA-N 2 0 199.298 -0.066 20 0 ABADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]C1 381506240 409880861 /nfs/dbraw/zinc/88/08/61/409880861.db2.gz SIONYHNOXSBFFK-SECBINFHSA-N 2 0 199.298 -0.195 20 0 ABADRP CCC[N@H+](C)CC(=O)NCC1C[NH2+]C1 381494965 409881190 /nfs/dbraw/zinc/88/11/90/409881190.db2.gz LYLCROJRGFTLBT-UHFFFAOYSA-N 2 0 199.298 -0.336 20 0 ABADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH3+] 381453771 409881258 /nfs/dbraw/zinc/88/12/58/409881258.db2.gz HPXDTYCHTMQQCS-IUCAKERBSA-N 2 0 199.298 -0.066 20 0 ABADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH3+] 381453772 409881547 /nfs/dbraw/zinc/88/15/47/409881547.db2.gz HPXDTYCHTMQQCS-RKDXNWHRSA-N 2 0 199.298 -0.066 20 0 ABADRP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H](C)[NH3+])C1 381436085 409881669 /nfs/dbraw/zinc/88/16/69/409881669.db2.gz XWDISJQJBXYIRJ-RKDXNWHRSA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH2+][C@@H]1CCN(C(=O)[C@H](C)[NH+](C)C)C1 381512142 409881719 /nfs/dbraw/zinc/88/17/19/409881719.db2.gz XJWVPTPIEPSSJJ-DTWKUNHWSA-N 2 0 199.298 -0.243 20 0 ABADRP [NH3+]CCCC(=O)NC[C@@H]([NH3+])C1CC1 381560619 409882393 /nfs/dbraw/zinc/88/23/93/409882393.db2.gz KZLLTSCRGIKJME-MRVPVSSYSA-N 2 0 185.271 -0.421 20 0 ABADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C1 381506241 409882620 /nfs/dbraw/zinc/88/26/20/409882620.db2.gz SIONYHNOXSBFFK-VIFPVBQESA-N 2 0 199.298 -0.195 20 0 ABADRP C[NH2+]CC(=O)NC[C@@H](C1CC1)[NH+](C)C 381478889 409882864 /nfs/dbraw/zinc/88/28/64/409882864.db2.gz BSWUADOQJFXCRK-VIFPVBQESA-N 2 0 199.298 -0.338 20 0 ABADRP C[NH2+]CC(=O)NC[C@H](C1CC1)[NH+](C)C 381478887 409882961 /nfs/dbraw/zinc/88/29/61/409882961.db2.gz BSWUADOQJFXCRK-SECBINFHSA-N 2 0 199.298 -0.338 20 0 ABADRP C[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+](C)C)C1 381512143 409882986 /nfs/dbraw/zinc/88/29/86/409882986.db2.gz XJWVPTPIEPSSJJ-IUCAKERBSA-N 2 0 199.298 -0.243 20 0 ABADRP CN(CCC[NH3+])C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 381970286 409883693 /nfs/dbraw/zinc/88/36/93/409883693.db2.gz BRJRTZXSTOMGLK-HLTSFMKQSA-N 2 0 197.282 -0.456 20 0 ABADRP C[NH2+]CCC(=O)N1CC[C@@H]([NH2+]C)C1 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/nfs/dbraw/zinc/88/81/36/409888136.db2.gz UCNMGUQFYAEJGG-RKDXNWHRSA-N 2 0 199.298 -0.147 20 0 ABADRP C[NH2+]CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 381998636 409888153 /nfs/dbraw/zinc/88/81/53/409888153.db2.gz JCEJBRBZAUMNBC-PRJMDXOYSA-N 2 0 183.255 -0.928 20 0 ABADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 381994596 409888884 /nfs/dbraw/zinc/88/88/84/409888884.db2.gz IEVYLMPTOSHYAI-KDXUFGMBSA-N 2 0 197.282 -0.552 20 0 ABADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CC[NH3+] 382208179 409896527 /nfs/dbraw/zinc/89/65/27/409896527.db2.gz KSOOFHCJNNGLGK-YUMQZZPRSA-N 2 0 175.251 -0.423 20 0 ABADRP C[NH2+]CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 382202505 409897185 /nfs/dbraw/zinc/89/71/85/409897185.db2.gz FKLVAZTUXWKQGG-BQBZGAKWSA-N 2 0 189.234 -0.978 20 0 ABADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 382334026 409901102 /nfs/dbraw/zinc/90/11/02/409901102.db2.gz XLPIBEWZTMJUDG-HLTSFMKQSA-N 2 0 197.282 -0.538 20 0 ABADRP C[NH2+]CCNC(=O)C1([NH3+])CCCCC1 382396111 409903105 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UQEHLUDDYPXWLG-MRVPVSSYSA-N 2 0 187.287 -0.338 20 0 ABADRP C[NH2+]CCCNC(=O)[C@H](C)C[NH3+] 388226316 409948056 /nfs/dbraw/zinc/94/80/56/409948056.db2.gz KLNBSZAZTHNQSP-SSDOTTSWSA-N 2 0 173.260 -0.693 20 0 ABADRP CCCC[C@@H](C[NH3+])NC(=O)C[NH3+] 388220475 409948075 /nfs/dbraw/zinc/94/80/75/409948075.db2.gz HZSAAIIPRMDYMQ-ZETCQYMHSA-N 2 0 173.260 -0.421 20 0 ABADRP C[NH2+]CC(=O)NC[C@@H]1CCC[NH2+]1 388206277 409948139 /nfs/dbraw/zinc/94/81/39/409948139.db2.gz DIRBSAAJLVWMIY-ZETCQYMHSA-N 2 0 171.244 -0.926 20 0 ABADRP CN(C(=O)CC[NH3+])[C@H]1CC[NH2+]C1 388262249 409948346 /nfs/dbraw/zinc/94/83/46/409948346.db2.gz DGLSEGDUOUWJIV-ZETCQYMHSA-N 2 0 171.244 -0.845 20 0 ABADRP CN(CCC[NH3+])C(=O)[C@H]1CC[NH2+]1 388242493 409948457 /nfs/dbraw/zinc/94/84/57/409948457.db2.gz RESLWHDZYXQGRI-SSDOTTSWSA-N 2 0 171.244 -0.845 20 0 ABADRP CCCC[C@H](C[NH3+])NC(=O)C[NH3+] 388220473 409948582 /nfs/dbraw/zinc/94/85/82/409948582.db2.gz HZSAAIIPRMDYMQ-SSDOTTSWSA-N 2 0 173.260 -0.421 20 0 ABADRP C[C@@H](C[NH3+])N(C)C(=O)CCC[NH3+] 388261469 409948783 /nfs/dbraw/zinc/94/87/83/409948783.db2.gz DBOLITIOPIPOLN-ZETCQYMHSA-N 2 0 173.260 -0.469 20 0 ABADRP C[C@@H]([NH3+])CC(=O)N(C)CCC[NH3+] 388259945 409948899 /nfs/dbraw/zinc/94/88/99/409948899.db2.gz CQABRSPZXGFNHA-SSDOTTSWSA-N 2 0 173.260 -0.469 20 0 ABADRP CN(CCC[NH3+])C[C@@H]1CC[NH2+]C1 388209477 409949050 /nfs/dbraw/zinc/94/90/50/409949050.db2.gz FRUNGRMWXDHWNC-SECBINFHSA-N 2 0 171.288 -0.124 20 0 ABADRP C[NH2+]CC(=O)NC[C@H]1CCC[NH2+]1 388206275 409949215 /nfs/dbraw/zinc/94/92/15/409949215.db2.gz DIRBSAAJLVWMIY-SSDOTTSWSA-N 2 0 171.244 -0.926 20 0 ABADRP C[C@H](C[NH3+])N(C)C(=O)CCC[NH3+] 388261466 409949385 /nfs/dbraw/zinc/94/93/85/409949385.db2.gz DBOLITIOPIPOLN-SSDOTTSWSA-N 2 0 173.260 -0.469 20 0 ABADRP C[C@H]([NH3+])CC(=O)N(C)CCC[NH3+] 388259946 409949526 /nfs/dbraw/zinc/94/95/26/409949526.db2.gz CQABRSPZXGFNHA-ZETCQYMHSA-N 2 0 173.260 -0.469 20 0 ABADRP CN(CCC[NH3+])C[C@H]1CC[NH2+]C1 388209478 409949555 /nfs/dbraw/zinc/94/95/55/409949555.db2.gz FRUNGRMWXDHWNC-VIFPVBQESA-N 2 0 171.288 -0.124 20 0 ABADRP CN(C(=O)CC[NH3+])[C@@H]1CC[NH2+]C1 388262247 409949633 /nfs/dbraw/zinc/94/96/33/409949633.db2.gz DGLSEGDUOUWJIV-SSDOTTSWSA-N 2 0 171.244 -0.845 20 0 ABADRP C[NH2+]CCCNC(=O)[C@@H](C)C[NH3+] 388226318 409949823 /nfs/dbraw/zinc/94/98/23/409949823.db2.gz KLNBSZAZTHNQSP-ZETCQYMHSA-N 2 0 173.260 -0.693 20 0 ABADRP CCC[NH2+]CCNC(=O)[C@@H](C)[NH3+] 388251819 409949970 /nfs/dbraw/zinc/94/99/70/409949970.db2.gz XDFVYCJCZWFHPA-SSDOTTSWSA-N 2 0 173.260 -0.551 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)C[NH2+]C1CC1 388297786 409952427 /nfs/dbraw/zinc/95/24/27/409952427.db2.gz MBVQZNHGIVSDPF-ZCFIWIBFSA-N 2 0 171.244 -0.798 20 0 ABADRP C[NH2+]CCC(=O)N(C)[C@@H](C)C[NH3+] 388306261 409952518 /nfs/dbraw/zinc/95/25/18/409952518.db2.gz PSPHETPVTDSBRB-ZETCQYMHSA-N 2 0 173.260 -0.599 20 0 ABADRP CC[NH2+]CCNC(=O)C1([NH3+])CC1 388311309 409951187 /nfs/dbraw/zinc/95/11/87/409951187.db2.gz RUDIMIMZPHYRNW-UHFFFAOYSA-N 2 0 171.244 -0.797 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)CC(C)(C)[NH3+] 388315147 409951305 /nfs/dbraw/zinc/95/13/05/409951305.db2.gz UPCRYSQWXLVITI-ZCFIWIBFSA-N 2 0 173.260 -0.423 20 0 ABADRP C[C@@H](CC[NH3+])NC(=O)C(C)(C)[NH3+] 388297565 409951639 /nfs/dbraw/zinc/95/16/39/409951639.db2.gz LXVRXOMEYWGFNR-LURJTMIESA-N 2 0 173.260 -0.423 20 0 ABADRP C[NH2+]CCC(=O)NC[C@@H](C)C[NH3+] 388293752 409951937 /nfs/dbraw/zinc/95/19/37/409951937.db2.gz YHBQTDZDSGAZMB-ZETCQYMHSA-N 2 0 173.260 -0.693 20 0 ABADRP C[C@H](CC[NH3+])NC(=O)C(C)(C)[NH3+] 388297566 409951988 /nfs/dbraw/zinc/95/19/88/409951988.db2.gz LXVRXOMEYWGFNR-ZCFIWIBFSA-N 2 0 173.260 -0.423 20 0 ABADRP C[NH2+]CCC(=O)NC[C@H](C)C[NH3+] 388293750 409952086 /nfs/dbraw/zinc/95/20/86/409952086.db2.gz YHBQTDZDSGAZMB-SSDOTTSWSA-N 2 0 173.260 -0.693 20 0 ABADRP [NH3+]CCCC(=O)N[C@@H]1CC[NH2+]C1 388329812 409952186 /nfs/dbraw/zinc/95/21/86/409952186.db2.gz DLLBTHADIIYQRI-SSDOTTSWSA-N 2 0 171.244 -0.797 20 0 ABADRP C[C@H]([NH3+])CNC(=O)C[NH2+]C1CC1 388297783 409952294 /nfs/dbraw/zinc/95/22/94/409952294.db2.gz MBVQZNHGIVSDPF-LURJTMIESA-N 2 0 171.244 -0.798 20 0 ABADRP CC[NH2+]CCNC(=O)C[C@@H](C)[NH3+] 388278296 409952400 /nfs/dbraw/zinc/95/24/00/409952400.db2.gz KKQUQXRXPGJTDB-SSDOTTSWSA-N 2 0 173.260 -0.551 20 0 ABADRP CC[NH2+]CCNC(=O)C[C@H](C)[NH3+] 388278297 409952534 /nfs/dbraw/zinc/95/25/34/409952534.db2.gz KKQUQXRXPGJTDB-ZETCQYMHSA-N 2 0 173.260 -0.551 20 0 ABADRP C[NH2+]CCC(=O)N(C)[C@H](C)C[NH3+] 388306260 409952552 /nfs/dbraw/zinc/95/25/52/409952552.db2.gz PSPHETPVTDSBRB-SSDOTTSWSA-N 2 0 173.260 -0.599 20 0 ABADRP [NH3+]CCC(=O)NCC[NH2+]C1CC1 388266223 409952711 /nfs/dbraw/zinc/95/27/11/409952711.db2.gz FLBQAWZULPPQDN-UHFFFAOYSA-N 2 0 171.244 -0.797 20 0 ABADRP [NH3+]CCCC(=O)N[C@H]1CC[NH2+]C1 388329814 409952848 /nfs/dbraw/zinc/95/28/48/409952848.db2.gz DLLBTHADIIYQRI-ZETCQYMHSA-N 2 0 171.244 -0.797 20 0 ABADRP C[C@H]([NH3+])CNC(=O)CC(C)(C)[NH3+] 388315146 409952890 /nfs/dbraw/zinc/95/28/90/409952890.db2.gz 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306457976 1169480917 /nfs/dbraw/zinc/48/09/17/1169480917.db2.gz XGRZZJHCYOKPCJ-HTQZYQBOSA-N 2 0 197.282 -0.327 20 0 ABADRP C[C@H]([NH3+])CNC(=O)C1CC[NH2+]CC1 306459892 1169480946 /nfs/dbraw/zinc/48/09/46/1169480946.db2.gz DWGFTSURQPVCOT-ZETCQYMHSA-N 2 0 185.271 -0.551 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)C1CC[NH2+]CC1 306459891 1169481075 /nfs/dbraw/zinc/48/10/75/1169481075.db2.gz DWGFTSURQPVCOT-SSDOTTSWSA-N 2 0 185.271 -0.551 20 0 ABADRP C[C@H]1CN(C(=O)C2([NH3+])CC2)CC[C@H]1[NH3+] 306457977 1169481254 /nfs/dbraw/zinc/48/12/54/1169481254.db2.gz XGRZZJHCYOKPCJ-JGVFFNPUSA-N 2 0 197.282 -0.327 20 0 ABADRP C[C@H]1CN(C(=O)C2([NH3+])CC2)CC[C@@H]1[NH3+] 306457979 1169481631 /nfs/dbraw/zinc/48/16/31/1169481631.db2.gz XGRZZJHCYOKPCJ-YUMQZZPRSA-N 2 0 197.282 -0.327 20 0 ABADRP C[C@@H]1CN(C(=O)C2([NH3+])CC2)CC[C@@H]1[NH3+] 306457978 1169481696 /nfs/dbraw/zinc/48/16/96/1169481696.db2.gz XGRZZJHCYOKPCJ-SFYZADRCSA-N 2 0 197.282 -0.327 20 0 ABADRP C[C@H]([NH3+])CNC(=O)[C@H]1CCCCC[NH2+]1 306673961 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1263320799 1170143833 /nfs/dbraw/zinc/14/38/33/1170143833.db2.gz LUKDBWWKKDBLCV-XWEPSHTISA-N 2 0 197.282 -0.266 20 0 ABADRP [NH3+][C@H](C(=O)NCC1C[NH2+]C1)C1CCC1 1326049908 1170234268 /nfs/dbraw/zinc/23/42/68/1170234268.db2.gz YACNNTLCXCPUFL-VIFPVBQESA-N 2 0 197.282 -0.551 20 0 ABADRP [NH3+][C@@H](C(=O)NCC1C[NH2+]C1)C1CCC1 1326049907 1170235096 /nfs/dbraw/zinc/23/50/96/1170235096.db2.gz YACNNTLCXCPUFL-SECBINFHSA-N 2 0 197.282 -0.551 20 0 ABADRP C[C@@H](C[NH3+])C(=O)N[C@H](C)CCC[NH3+] 1326114275 1170238090 /nfs/dbraw/zinc/23/80/90/1170238090.db2.gz WLSBPCYKBNOHMW-JGVFFNPUSA-N 2 0 187.287 -0.175 20 0 ABADRP C[C@@H](CCC[NH3+])NC(=O)[C@H](C)[NH3+] 1326305324 1170238356 /nfs/dbraw/zinc/23/83/56/1170238356.db2.gz FUDLLKVMHIFSRU-BQBZGAKWSA-N 2 0 173.260 -0.423 20 0 ABADRP [NH3+]Cc1nnnn1C[C@H]1CCC[NH2+]C1 1326329775 1170238382 /nfs/dbraw/zinc/23/83/82/1170238382.db2.gz KULYXHQIPHLXEW-ZETCQYMHSA-N 2 0 196.258 -0.869 20 0 ABADRP CN(CC[NH3+])C(=O)[C@@H]1CCCCC[NH2+]1 1326293789 1170238617 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CC[C@H]([NH3+])C(=O)N1CC[C@H](CC[NH3+])C1 1341125363 1170431718 /nfs/dbraw/zinc/43/17/18/1170431718.db2.gz XHGOPGJPDSFBEA-IUCAKERBSA-N 2 0 199.298 -0.079 20 0 ABADRP C[C@H]([NH3+])C(=O)N1[C@@H](C)C[NH2+][C@@H](C)[C@@H]1C 1341142173 1170431800 /nfs/dbraw/zinc/43/18/00/1170431800.db2.gz WGLHNHJSEFAGBQ-JBDRJPRFSA-N 2 0 199.298 -0.069 20 0 ABADRP C[C@H]([NH3+])C(=O)N1[C@H](C)C[NH2+][C@@H](C)[C@H]1C 1341142174 1170432648 /nfs/dbraw/zinc/43/26/48/1170432648.db2.gz WGLHNHJSEFAGBQ-RYPBNFRJSA-N 2 0 199.298 -0.069 20 0 ABADRP C[C@@H]([NH3+])C(=O)N1CC[C@H](CC[NH3+])C1 1341121939 1170432786 /nfs/dbraw/zinc/43/27/86/1170432786.db2.gz HPOIKDWRUKAFPV-SFYZADRCSA-N 2 0 185.271 -0.469 20 0 ABADRP C[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 1341155003 1170432796 /nfs/dbraw/zinc/43/27/96/1170432796.db2.gz CELXQOOKGMQYIH-HRDYMLBCSA-N 2 0 197.282 -0.599 20 0 ABADRP C[C@H]([NH3+])C(=O)N1[C@@H](C)[C@H](C)[NH2+]C[C@H]1C 1341142175 1170433098 /nfs/dbraw/zinc/43/30/98/1170433098.db2.gz 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C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[NH2+]C[C@H]1O 1576670053 1170706280 /nfs/dbraw/zinc/70/62/80/1170706280.db2.gz XCJSFXUVAZCWNO-DOLQZWNJSA-N 2 0 184.283 -0.045 20 0 ABADRP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[NH2+]C[C@H]1O 1576670058 1170706447 /nfs/dbraw/zinc/70/64/47/1170706447.db2.gz XCJSFXUVAZCWNO-ZYUZMQFOSA-N 2 0 184.283 -0.045 20 0 ABADRP C[C@H]1CC[C@@H]1[NH2+]C[C@H]1C[NH2+]C[C@H]1O 1576670055 1170706456 /nfs/dbraw/zinc/70/64/56/1170706456.db2.gz XCJSFXUVAZCWNO-QCLAVDOMSA-N 2 0 184.283 -0.045 20 0 ABADRP CC[C@@H](O)C[N@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1577182562 1170712787 /nfs/dbraw/zinc/71/27/87/1170712787.db2.gz PQURCTWIKNFGST-IMSYWVGJSA-N 2 0 184.283 -0.093 20 0 ABADRP CC[C@@H](CO)[N@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1577089077 1170713265 /nfs/dbraw/zinc/71/32/65/1170713265.db2.gz JVMSHCGNYSEJLY-AXTSPUMRSA-N 2 0 184.283 -0.093 20 0 ABADRP CC[C@H](O)C[N@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1577182559 1170713915 /nfs/dbraw/zinc/71/39/15/1170713915.db2.gz PQURCTWIKNFGST-AXTSPUMRSA-N 2 0 184.283 -0.093 20 0 ABADRP CC[C@H](CO)[N@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1577089079 1170713997 /nfs/dbraw/zinc/71/39/97/1170713997.db2.gz JVMSHCGNYSEJLY-IMSYWVGJSA-N 2 0 184.283 -0.093 20 0 ABADRP CCC[N@H+](CCO)C[C@@H](O)CC[NH3+] 1577524205 1170714870 /nfs/dbraw/zinc/71/48/70/1170714870.db2.gz ZPXUNFTWXIQKCH-VIFPVBQESA-N 2 0 190.287 -0.600 20 0 ABADRP CCC[N@H+](CCO)C[C@H](O)CC[NH3+] 1577524204 1170714946 /nfs/dbraw/zinc/71/49/46/1170714946.db2.gz ZPXUNFTWXIQKCH-SECBINFHSA-N 2 0 190.287 -0.600 20 0 ABADRP CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH3+])C1 1577655283 1170717985 /nfs/dbraw/zinc/71/79/85/1170717985.db2.gz YHBJVCOZDRCCQO-SECBINFHSA-N 2 0 199.298 -0.112 20 0 ABADRP CC[C@@H](CO)[NH2+]C[C@@H]([NH3+])CCOC 1578221545 1170718068 /nfs/dbraw/zinc/71/80/68/1170718068.db2.gz DGEWPMRUGNZVCH-IUCAKERBSA-N 2 0 190.287 -0.289 20 0 ABADRP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH3+])C1 1577654806 1170718099 /nfs/dbraw/zinc/71/80/99/1170718099.db2.gz IBQNGKARITWRHI-RKDXNWHRSA-N 2 0 199.298 -0.114 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CCNC(=O)C[NH2+]C1CC2(C1)C[C@@H]2[NH3+] 1577789095 1170719805 /nfs/dbraw/zinc/71/98/05/1170719805.db2.gz NLXCOCDENPSBNT-ZCUBBSJVSA-N 2 0 197.282 -0.408 20 0 ABADRP CC[N@H+](CCCO)C[C@@H](O)CC[NH3+] 1577715655 1170719876 /nfs/dbraw/zinc/71/98/76/1170719876.db2.gz RTZLGTLNBHMCHF-VIFPVBQESA-N 2 0 190.287 -0.600 20 0 ABADRP CC[C@@H](CO)[NH2+]C[C@H]([NH3+])CCOC 1578221544 1170720004 /nfs/dbraw/zinc/72/00/04/1170720004.db2.gz DGEWPMRUGNZVCH-BDAKNGLRSA-N 2 0 190.287 -0.289 20 0 ABADRP CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH3+])C1 1577654805 1170720147 /nfs/dbraw/zinc/72/01/47/1170720147.db2.gz IBQNGKARITWRHI-BDAKNGLRSA-N 2 0 199.298 -0.114 20 0 ABADRP CC[N@H+](C)[C@H]1CCN(C2C[NH2+]C2)C1 1577654911 1170720178 /nfs/dbraw/zinc/72/01/78/1170720178.db2.gz LELATIDLKWAGDN-VIFPVBQESA-N 2 0 183.299 -0.016 20 0 ABADRP CC[N@H+](C)[C@@H]1CCN(CC[NH3+])C1 1577655032 1170720357 /nfs/dbraw/zinc/72/03/57/1170720357.db2.gz PFDFDHPDYFZFNJ-SECBINFHSA-N 2 0 171.288 -0.029 20 0 ABADRP CC[N@H+](CCCO)C[C@H](O)CC[NH3+] 1577715652 1170720452 /nfs/dbraw/zinc/72/04/52/1170720452.db2.gz RTZLGTLNBHMCHF-SECBINFHSA-N 2 0 190.287 -0.600 20 0 ABADRP CC[N@@H+]1CC[C@@H]1C(=O)N(C)CC[NH3+] 1577768006 1170720474 /nfs/dbraw/zinc/72/04/74/1170720474.db2.gz SSCPBPZBFDPGSP-MRVPVSSYSA-N 2 0 185.271 -0.502 20 0 ABADRP CC[N@H+](C)[C@H]1CCN(CC[NH3+])C1 1577655033 1170720535 /nfs/dbraw/zinc/72/05/35/1170720535.db2.gz PFDFDHPDYFZFNJ-VIFPVBQESA-N 2 0 171.288 -0.029 20 0 ABADRP CC[N@@H+]1CC[C@@H]1C(=O)N(C)CC[NH2+]C 1577767688 1170720575 /nfs/dbraw/zinc/72/05/75/1170720575.db2.gz OPNVWKQEGSKRQQ-SECBINFHSA-N 2 0 199.298 -0.242 20 0 ABADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1[NH3+] 1577768187 1170720845 /nfs/dbraw/zinc/72/08/45/1170720845.db2.gz VQDRWYNOESGZSU-HRDYMLBCSA-N 2 0 197.282 -0.456 20 0 ABADRP CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH3+])C1 1577654619 1170721076 /nfs/dbraw/zinc/72/10/76/1170721076.db2.gz FLRUBPWQPREYHA-MRVPVSSYSA-N 2 0 185.271 -0.502 20 0 ABADRP CC[N@H+](C)[C@H]1CCN(C(=O)C[NH3+])C1 1577654624 1170721297 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[NH3+]CC1(O)CC[NH+](CCCO)CC1 238614580 572873519 /nfs/dbraw/zinc/87/35/19/572873519.db2.gz FPNGAGYZHJVZEP-UHFFFAOYSA-N 2 0 188.271 -0.846 20 0 ABADRP C[NH2+]CC(=O)NCC[C@@H](C)[NH2+]C 308159699 572880873 /nfs/dbraw/zinc/88/08/73/572880873.db2.gz DAUYPSMOQSAQLL-SSDOTTSWSA-N 2 0 173.260 -0.680 20 0 ABADRP C[NH2+]CC(=O)NCC[C@H](C)[NH2+]C 308159701 572882260 /nfs/dbraw/zinc/88/22/60/572882260.db2.gz DAUYPSMOQSAQLL-ZETCQYMHSA-N 2 0 173.260 -0.680 20 0 ABADRP [NH3+]CCc1nc2nccc(C[NH3+])n2n1 236270512 572898033 /nfs/dbraw/zinc/89/80/33/572898033.db2.gz GNRLICRGDPTLCL-UHFFFAOYSA-N 2 0 192.226 -0.916 20 0 ABADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCCC[NH3+] 86271550 572900732 /nfs/dbraw/zinc/90/07/32/572900732.db2.gz VWZCUFYYSUHBLM-RKDXNWHRSA-N 2 0 199.298 -0.161 20 0 ABADRP C[NH2+]CCN(C)C(=O)[C@H]1CC[NH2+][C@@H]1C 86272120 572901686 /nfs/dbraw/zinc/90/16/86/572901686.db2.gz RAADKTNLNNZFFW-BDAKNGLRSA-N 2 0 199.298 -0.338 20 0 ABADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[NH3+] 86271553 572901094 /nfs/dbraw/zinc/90/10/94/572901094.db2.gz VWZCUFYYSUHBLM-IUCAKERBSA-N 2 0 199.298 -0.161 20 0 ABADRP C[NH2+]CCN(C)C(=O)[C@H]1CC[NH2+][C@H]1C 86272121 572901716 /nfs/dbraw/zinc/90/17/16/572901716.db2.gz RAADKTNLNNZFFW-IUCAKERBSA-N 2 0 199.298 -0.338 20 0 ABADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[NH3+] 86271552 572901847 /nfs/dbraw/zinc/90/18/47/572901847.db2.gz VWZCUFYYSUHBLM-BDAKNGLRSA-N 2 0 199.298 -0.161 20 0 ABADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCC[NH3+] 86271551 572901981 /nfs/dbraw/zinc/90/19/81/572901981.db2.gz VWZCUFYYSUHBLM-DTWKUNHWSA-N 2 0 199.298 -0.161 20 0 ABADRP C[NH2+]CCN(C)C(=O)[C@@H]1CC[NH2+][C@H]1C 86272119 572902103 /nfs/dbraw/zinc/90/21/03/572902103.db2.gz RAADKTNLNNZFFW-DTWKUNHWSA-N 2 0 199.298 -0.338 20 0 ABADRP C[NH2+]CCN(C)C(=O)[C@@H]1CC[NH2+][C@@H]1C 86272118 572902210 /nfs/dbraw/zinc/90/22/10/572902210.db2.gz RAADKTNLNNZFFW-RKDXNWHRSA-N 2 0 199.298 -0.338 20 0 ABADRP CN1CC[NH+]=C1NCCC[NH+](C)C 308177502 572902944 /nfs/dbraw/zinc/90/29/44/572902944.db2.gz BDCFBHFBBUWUAJ-UHFFFAOYSA-N 2 0 184.287 -0.171 20 0 ABADRP [NH3+]CCCC(=O)N1CC[C@@H]([NH3+])C1 308183809 572906626 /nfs/dbraw/zinc/90/66/26/572906626.db2.gz IALNJQQUFZUOGG-SSDOTTSWSA-N 2 0 171.244 -0.715 20 0 ABADRP [NH3+]CCCC(=O)N1CC[C@H]([NH3+])C1 308183812 572907545 /nfs/dbraw/zinc/90/75/45/572907545.db2.gz IALNJQQUFZUOGG-ZETCQYMHSA-N 2 0 171.244 -0.715 20 0 ABADRP C[NH2+]CCN(C)C(=O)[C@H](C)[NH+](C)C 237312503 572910759 /nfs/dbraw/zinc/91/07/59/572910759.db2.gz KPNAFYRPMIRMIV-QMMMGPOBSA-N 2 0 187.287 -0.386 20 0 ABADRP C[NH2+][C@H](C)CCNC(=O)[C@@H](C)[NH3+] 308182629 572910763 /nfs/dbraw/zinc/91/07/63/572910763.db2.gz HHOQLFPYQUITAK-RNFRBKRXSA-N 2 0 173.260 -0.552 20 0 ABADRP C[NH2+][C@H](C)CCNC(=O)[C@H](C)[NH3+] 308182630 572911543 /nfs/dbraw/zinc/91/15/43/572911543.db2.gz HHOQLFPYQUITAK-RQJHMYQMSA-N 2 0 173.260 -0.552 20 0 ABADRP C[NH2+]CCC(=O)N1CC[C@H]([NH3+])C1 308190891 572922113 /nfs/dbraw/zinc/92/21/13/572922113.db2.gz NTCIQGQCNRKYDE-ZETCQYMHSA-N 2 0 171.244 -0.845 20 0 ABADRP C[NH2+]CCC(=O)N1CC[C@@H]([NH3+])C1 308190889 572922307 /nfs/dbraw/zinc/92/23/07/572922307.db2.gz NTCIQGQCNRKYDE-SSDOTTSWSA-N 2 0 171.244 -0.845 20 0 ABADRP [NH3+]CC(C[NH3+])NCc1ccno1 308196455 572938680 /nfs/dbraw/zinc/93/86/80/572938680.db2.gz SODSOWBQPAZPPS-UHFFFAOYSA-N 2 0 170.216 -0.950 20 0 ABADRP [NH3+]CCCCNC(=O)C1([NH3+])CCC1 88050777 572944793 /nfs/dbraw/zinc/94/47/93/572944793.db2.gz AHJKKPCXHUUYEH-UHFFFAOYSA-N 2 0 185.271 -0.277 20 0 ABADRP c1nnc(C[NH2+]CC2CC[NH2+]CC2)[nH]1 86700748 572971806 /nfs/dbraw/zinc/97/18/06/572971806.db2.gz QHKBHSQAUJOVJN-UHFFFAOYSA-N 2 0 195.270 -0.106 20 0 ABADRP [NH3+]CCC(=O)NC1CCC([NH3+])CC1 51694814 572976100 /nfs/dbraw/zinc/97/61/00/572976100.db2.gz ASSXWECRLDXJJP-UHFFFAOYSA-N 2 0 185.271 -0.279 20 0 ABADRP C[NH2+]CCN(C)C(=O)[C@@H]([NH3+])CC1CC1 308483889 573022449 /nfs/dbraw/zinc/02/24/49/573022449.db2.gz NVQSMDQFLNSZMF-VIFPVBQESA-N 2 0 199.298 -0.208 20 0 ABADRP NC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 82393526 573025515 /nfs/dbraw/zinc/02/55/15/573025515.db2.gz UDYIKFSNNSFXBN-HTQZYQBOSA-N 2 0 198.270 -0.667 20 0 ABADRP CN(C(=O)CCC[NH3+])C1CC[NH2+]CC1 308843720 573037424 /nfs/dbraw/zinc/03/74/24/573037424.db2.gz LCKSSMPYHVBIBH-UHFFFAOYSA-N 2 0 199.298 -0.064 20 0 ABADRP C[C@@H]1CN(CCOCC[NH3+])CC[NH2+]1 308494310 573064829 /nfs/dbraw/zinc/06/48/29/573064829.db2.gz BFYYRXDZOXYSHJ-SECBINFHSA-N 2 0 187.287 -0.745 20 0 ABADRP C[C@@H]([NH3+])CNC(=O)CCCCC[NH3+] 308494331 573066048 /nfs/dbraw/zinc/06/60/48/573066048.db2.gz BGPSLFKZVOAARO-MRVPVSSYSA-N 2 0 187.287 -0.031 20 0 ABADRP CC[NH2+]CC(=O)NCC[C@H](C)[NH2+]C 393656552 573066674 /nfs/dbraw/zinc/06/66/74/573066674.db2.gz ISYFJWGLWJNZQO-QMMMGPOBSA-N 2 0 187.287 -0.290 20 0 ABADRP C[N@@H+]1CCN(C(=O)CC[NH3+])CC1(C)C 82483974 573067221 /nfs/dbraw/zinc/06/72/21/573067221.db2.gz BDBWGJFJSLAVLR-UHFFFAOYSA-N 2 0 199.298 -0.112 20 0 ABADRP C[C@H]([NH3+])CNC(=O)CCCCC[NH3+] 308494332 573068124 /nfs/dbraw/zinc/06/81/24/573068124.db2.gz BGPSLFKZVOAARO-QMMMGPOBSA-N 2 0 187.287 -0.031 20 0 ABADRP C[C@H](C[NH3+])NC(=O)CCCCC[NH3+] 308489064 573070254 /nfs/dbraw/zinc/07/02/54/573070254.db2.gz AWZZBONYKPJQKP-MRVPVSSYSA-N 2 0 187.287 -0.031 20 0 ABADRP CC(C)([NH3+])CCC(=O)NCC1C[NH2+]C1 308847175 573107196 /nfs/dbraw/zinc/10/71/96/573107196.db2.gz PTRPPMXKMNUXFI-UHFFFAOYSA-N 2 0 199.298 -0.161 20 0 ABADRP OCCCN1CC[C@H]2C[NH2+]C[C@H]21 686252675 573107853 /nfs/dbraw/zinc/10/78/53/573107853.db2.gz PKTIKPGDCWSBRS-DTWKUNHWSA-N 2 0 170.256 -0.338 20 0 ABADRP C[NH2+]CC(=O)N(C)CCC[NH+](C)C 77273851 573112321 /nfs/dbraw/zinc/11/23/21/573112321.db2.gz MNAPDTYNPDMNSI-UHFFFAOYSA-N 2 0 187.287 -0.384 20 0 ABADRP C[C@@H]([NH3+])C1(O)CC[NH+](C)CC1 258547950 573141078 /nfs/dbraw/zinc/14/10/78/573141078.db2.gz PBNRHIOCSYOVRM-SSDOTTSWSA-N 2 0 158.245 -0.210 20 0 ABADRP C[C@H]([NH3+])C1(O)CC[NH+](C)CC1 258547959 573141492 /nfs/dbraw/zinc/14/14/92/573141492.db2.gz PBNRHIOCSYOVRM-ZETCQYMHSA-N 2 0 158.245 -0.210 20 0 ABADRP Cn1cncc1CNC1(C(N)=O)CC1 308505743 573155405 /nfs/dbraw/zinc/15/54/05/573155405.db2.gz DZEVWRYXQUYGMQ-UHFFFAOYSA-N 2 0 194.238 -0.472 20 0 ABADRP C[C@H](C[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 308511031 573160436 /nfs/dbraw/zinc/16/04/36/573160436.db2.gz KZUHEBGWXKIUJY-SVRRBLITSA-N 2 0 185.271 -0.423 20 0 ABADRP [NH3+]CCCCCC(=O)N[C@@H]1CC[NH2+]C1 308807145 573161853 /nfs/dbraw/zinc/16/18/53/573161853.db2.gz BDEHHPVOWTYGSP-SECBINFHSA-N 2 0 199.298 -0.016 20 0 ABADRP [NH3+]CCCCCC(=O)N[C@H]1CC[NH2+]C1 308807149 573162424 /nfs/dbraw/zinc/16/24/24/573162424.db2.gz BDEHHPVOWTYGSP-VIFPVBQESA-N 2 0 199.298 -0.016 20 0 ABADRP C[C@H](C[NH3+])NC(=O)C[C@@H]1CC[NH2+]C1 308512659 573164471 /nfs/dbraw/zinc/16/44/71/573164471.db2.gz LOAPDJZSRGVKLB-SFYZADRCSA-N 2 0 185.271 -0.551 20 0 ABADRP CC[NH2+]CC(=O)N1CCCC[C@@H]1C[NH3+] 308850127 573172455 /nfs/dbraw/zinc/17/24/55/573172455.db2.gz NYIMWWRDHBXUQZ-SECBINFHSA-N 2 0 199.298 -0.064 20 0 ABADRP CC[NH2+]CC(=O)N1CCCC[C@H]1C[NH3+] 308850129 573173486 /nfs/dbraw/zinc/17/34/86/573173486.db2.gz NYIMWWRDHBXUQZ-VIFPVBQESA-N 2 0 199.298 -0.064 20 0 ABADRP CNC(=O)C[N@H+](C)C1CCC([NH3+])CC1 85870096 573174120 /nfs/dbraw/zinc/17/41/20/573174120.db2.gz GJHPZKFXZRHARM-UHFFFAOYSA-N 2 0 199.298 -0.066 20 0 ABADRP C[N@H+](CC(N)=O)C1CCC([NH3+])CC1 85869696 573174314 /nfs/dbraw/zinc/17/43/14/573174314.db2.gz GTSOBWDCRUUMQK-UHFFFAOYSA-N 2 0 185.271 -0.327 20 0 ABADRP [NH3+]C1(C2C[NH2+]C2)CC1 211597275 573216143 /nfs/dbraw/zinc/21/61/43/573216143.db2.gz ZLMLDWNYXBIMCG-UHFFFAOYSA-N 2 0 112.176 -0.303 20 0 ABADRP C[C@H]([NH2+][C@H]1CCOC1)C1C[NH2+]C1 686243990 573260139 /nfs/dbraw/zinc/26/01/39/573260139.db2.gz XHXNRCKFKVRYRB-CBAPKCEASA-N 2 0 170.256 -0.027 20 0 ABADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[NH2+]1 308887263 573264195 /nfs/dbraw/zinc/26/41/95/573264195.db2.gz UMSYNZHFQYDEPN-RKDXNWHRSA-N 2 0 199.298 -0.290 20 0 ABADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[NH2+]1 308887260 573264538 /nfs/dbraw/zinc/26/45/38/573264538.db2.gz UMSYNZHFQYDEPN-BDAKNGLRSA-N 2 0 199.298 -0.290 20 0 ABADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[NH2+]1 308887261 573265886 /nfs/dbraw/zinc/26/58/86/573265886.db2.gz UMSYNZHFQYDEPN-DTWKUNHWSA-N 2 0 199.298 -0.290 20 0 ABADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[NH2+]1 308887262 573267384 /nfs/dbraw/zinc/26/73/84/573267384.db2.gz UMSYNZHFQYDEPN-IUCAKERBSA-N 2 0 199.298 -0.290 20 0 ABADRP CC[NH2+]CC(=O)NCC[NH2+]C1CC1 308539976 573284100 /nfs/dbraw/zinc/28/41/00/573284100.db2.gz IETPUSRUKUKEIZ-UHFFFAOYSA-N 2 0 185.271 -0.536 20 0 ABADRP CN(C[C@H]1CCC[N@@H+]1C)C1C[NH2+]C1 86188786 573288688 /nfs/dbraw/zinc/28/86/88/573288688.db2.gz XSYZXTROECSJPH-SECBINFHSA-N 2 0 183.299 -0.016 20 0 ABADRP CC[NH2+]CC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 308858753 573311228 /nfs/dbraw/zinc/31/12/28/573311228.db2.gz AAUMFHDOTKCTCA-DTWKUNHWSA-N 2 0 199.298 -0.147 20 0 ABADRP CC[NH2+]CC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 308858754 573311455 /nfs/dbraw/zinc/31/14/55/573311455.db2.gz AAUMFHDOTKCTCA-IUCAKERBSA-N 2 0 199.298 -0.147 20 0 ABADRP C[NH2+]CCNC(=O)[C@@H]1CCCCC[NH2+]1 308858641 573312583 /nfs/dbraw/zinc/31/25/83/573312583.db2.gz WAWHBGSOTKDZDH-VIFPVBQESA-N 2 0 199.298 -0.146 20 0 ABADRP C[C@H](CC(N)=O)[NH2+][C@H]1CCN(C)C1 129355406 573316897 /nfs/dbraw/zinc/31/68/97/573316897.db2.gz HJVVPTLHPYORBX-SFYZADRCSA-N 2 0 185.271 -0.456 20 0 ABADRP [NH3+]C[C@H](CO)C1CC[NH2+]CC1 107119199 573354399 /nfs/dbraw/zinc/35/43/99/573354399.db2.gz VTLCGSCZASRYKF-MRVPVSSYSA-N 2 0 158.245 -0.447 20 0 ABADRP [NH3+]C[C@@H](CO)C1CC[NH2+]CC1 107119197 573354694 /nfs/dbraw/zinc/35/46/94/573354694.db2.gz VTLCGSCZASRYKF-QMMMGPOBSA-N 2 0 158.245 -0.447 20 0 ABADRP C[NH+](C)CCNC(=O)C[C@H]([NH3+])C1CC1 129737437 573358201 /nfs/dbraw/zinc/35/82/01/573358201.db2.gz CRRWSAXWPYEXNC-VIFPVBQESA-N 2 0 199.298 -0.208 20 0 ABADRP C[NH+]1CCC([C@H](C[NH3+])CO)CC1 107123969 573358661 /nfs/dbraw/zinc/35/86/61/573358661.db2.gz BPFIDQTXSXFYCR-SECBINFHSA-N 2 0 172.272 -0.105 20 0 ABADRP O=C(C[C@H]1CCC[NH2+]1)NCC1C[NH2+]C1 308890210 573364527 /nfs/dbraw/zinc/36/45/27/573364527.db2.gz WKCDNUUMJPEEND-SECBINFHSA-N 2 0 197.282 -0.536 20 0 ABADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH3+] 308374291 573367870 /nfs/dbraw/zinc/36/78/70/573367870.db2.gz MMINNHSIHPXTKS-NKWVEPMBSA-N 2 0 173.260 -0.567 20 0 ABADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C[NH3+] 308374290 573368218 /nfs/dbraw/zinc/36/82/18/573368218.db2.gz MMINNHSIHPXTKS-BQBZGAKWSA-N 2 0 173.260 -0.567 20 0 ABADRP CC[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] 308889870 573375842 /nfs/dbraw/zinc/37/58/42/573375842.db2.gz XFDHLGPCUSXNDM-RKDXNWHRSA-N 2 0 199.298 -0.018 20 0 ABADRP C[NH+](C)CCNC(=O)C[NH+]1CCCC1 74693480 573376800 /nfs/dbraw/zinc/37/68/00/573376800.db2.gz IQPUDGGTATVAIH-UHFFFAOYSA-N 2 0 199.298 -0.240 20 0 ABADRP [NH3+]CCCCNC(=O)C[C@@H]([NH3+])C1CC1 129830699 573393256 /nfs/dbraw/zinc/39/32/56/573393256.db2.gz QPTUOSFSPBUNLY-SECBINFHSA-N 2 0 199.298 -0.031 20 0 ABADRP [NH3+]CCCCNC(=O)C[C@H]([NH3+])C1CC1 129830892 573394949 /nfs/dbraw/zinc/39/49/49/573394949.db2.gz QPTUOSFSPBUNLY-VIFPVBQESA-N 2 0 199.298 -0.031 20 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WRYWGVUDHHRWGM-MRVPVSSYSA-N 2 0 185.271 -0.584 20 0 ABADRP CC[NH2+]CC1CC[NH+](CC(N)=O)CC1 82645676 486823513 /nfs/dbraw/zinc/82/35/13/486823513.db2.gz RRZBKRIDZUFCFR-UHFFFAOYSA-N 2 0 199.298 -0.207 20 0 ABADRP C[NH+](C)CCNC(=O)CC(C)(C)[NH3+] 82771492 486825511 /nfs/dbraw/zinc/82/55/11/486825511.db2.gz CSEGVLCAEJVCGU-UHFFFAOYSA-N 2 0 187.287 -0.208 20 0 ABADRP CC(C)([NH3+])CC(=O)N1CC[NH2+]CC1 82771821 486826023 /nfs/dbraw/zinc/82/60/23/486826023.db2.gz ZDFLFBFJWBSEFR-UHFFFAOYSA-N 2 0 185.271 -0.454 20 0 ABADRP CC(C)([NH3+])CC(=O)NCC[NH3+] 82772255 486826055 /nfs/dbraw/zinc/82/60/55/486826055.db2.gz RCLWIVDOZXPSGC-UHFFFAOYSA-N 2 0 159.233 -0.811 20 0 ABADRP CC(C)([NH3+])CC(=O)N1CCC[NH2+]CC1 82771840 486826382 /nfs/dbraw/zinc/82/63/82/486826382.db2.gz ZMNROTZSVVPJBS-UHFFFAOYSA-N 2 0 199.298 -0.064 20 0 ABADRP C[NH+](C)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] 82920027 486828381 /nfs/dbraw/zinc/82/83/81/486828381.db2.gz HMIDORGYRFCIOX-BDAKNGLRSA-N 2 0 199.298 -0.208 20 0 ABADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 82920673 486828742 /nfs/dbraw/zinc/82/87/42/486828742.db2.gz JYFAVEJCTHFLND-DTWKUNHWSA-N 2 0 197.282 -0.454 20 0 ABADRP [NH3+]CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] 82921315 486828820 /nfs/dbraw/zinc/82/88/20/486828820.db2.gz UWDUVXNSOMMREF-RQJHMYQMSA-N 2 0 171.244 -0.811 20 0 ABADRP C[NH2+]CCCN1CC[NH2+]C[C@@H]1C 83340088 486832449 /nfs/dbraw/zinc/83/24/49/486832449.db2.gz NSOLQDJGWUKDQN-VIFPVBQESA-N 2 0 171.288 -0.110 20 0 ABADRP C[NH2+]CCCNC(=O)C(C)(C)[NH3+] 83340177 486832474 /nfs/dbraw/zinc/83/24/74/486832474.db2.gz FJJUXLZZZVMOGR-UHFFFAOYSA-N 2 0 173.260 -0.551 20 0 ABADRP CC[C@@H]([NH3+])C(=O)NCCC[NH2+]C 83340176 486832490 /nfs/dbraw/zinc/83/24/90/486832490.db2.gz YRENGPSPDHQWSL-SSDOTTSWSA-N 2 0 173.260 -0.551 20 0 ABADRP C[NH2+]CCCNC(=O)CCC[NH3+] 83340174 486832559 /nfs/dbraw/zinc/83/25/59/486832559.db2.gz NHXFBRNNFKTHAC-UHFFFAOYSA-N 2 0 173.260 -0.549 20 0 ABADRP C[NH+](C)CCNC(=O)C1([NH3+])CC1 83340077 486832594 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20 0 ABADRP C[C@@H](CC[NH+](C)C)NC(=O)C1([NH3+])CC1 83835556 486842873 /nfs/dbraw/zinc/84/28/73/486842873.db2.gz ZUKOVICIVRYCPO-QMMMGPOBSA-N 2 0 199.298 -0.066 20 0 ABADRP C[NH+](C)C(C)(C)CNC(=O)C1([NH3+])CC1 83835329 486843042 /nfs/dbraw/zinc/84/30/42/486843042.db2.gz QLHCMJUBGLBAFD-UHFFFAOYSA-N 2 0 199.298 -0.066 20 0 ABADRP C[N@@H+]1CCCN(C(=O)C2([NH3+])CC2)CC1 83834026 486843093 /nfs/dbraw/zinc/84/30/93/486843093.db2.gz HPIBROUCAYSPKN-UHFFFAOYSA-N 2 0 197.282 -0.358 20 0 ABADRP CC(C)[N@H+](C)CCNC(=O)C1([NH3+])CC1 83835885 486843242 /nfs/dbraw/zinc/84/32/42/486843242.db2.gz XFSLLQQUTBCGIX-UHFFFAOYSA-N 2 0 199.298 -0.066 20 0 ABADRP C[C@H](CNC(=O)C1([NH3+])CC1)[NH+](C)C 83835087 486843348 /nfs/dbraw/zinc/84/33/48/486843348.db2.gz XZALOTNZGLSOCC-SSDOTTSWSA-N 2 0 185.271 -0.456 20 0 ABADRP C[N@H+](CCNC(=O)C1([NH3+])CC1)C1CC1 83835981 486843440 /nfs/dbraw/zinc/84/34/40/486843440.db2.gz FAMNLADDBRRQBI-UHFFFAOYSA-N 2 0 197.282 -0.312 20 0 ABADRP [NH3+]C1(C(=O)NCC[NH+]2CCCC2)CC1 83834195 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C[NH2+]C[C@@H](C)C(=O)NCc1ncc[nH]1 86069741 486873448 /nfs/dbraw/zinc/87/34/48/486873448.db2.gz WCIQBMLUCZYQFL-SSDOTTSWSA-N 2 0 196.254 -0.119 20 0 ABADRP C[NH2+]C[C@H](C)C(=O)NCc1ncc[nH]1 86069736 486873559 /nfs/dbraw/zinc/87/35/59/486873559.db2.gz WCIQBMLUCZYQFL-ZETCQYMHSA-N 2 0 196.254 -0.119 20 0 ABADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+](C)C 86270477 486875353 /nfs/dbraw/zinc/87/53/53/486875353.db2.gz SDRIQWQGHVTNAF-RKDXNWHRSA-N 2 0 199.298 -0.338 20 0 ABADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+](C)C 86270479 486875629 /nfs/dbraw/zinc/87/56/29/486875629.db2.gz SDRIQWQGHVTNAF-BDAKNGLRSA-N 2 0 199.298 -0.338 20 0 ABADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+](C)C 86270478 486875715 /nfs/dbraw/zinc/87/57/15/486875715.db2.gz SDRIQWQGHVTNAF-DTWKUNHWSA-N 2 0 199.298 -0.338 20 0 ABADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+](C)C 86270480 486875897 /nfs/dbraw/zinc/87/58/97/486875897.db2.gz SDRIQWQGHVTNAF-IUCAKERBSA-N 2 0 199.298 -0.338 20 0 ABADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH3+] 86271544 486876323 /nfs/dbraw/zinc/87/63/23/486876323.db2.gz SRNAPMUTUHKIOU-RQJHMYQMSA-N 2 0 171.244 -0.941 20 0 ABADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]CC1 86271008 486876458 /nfs/dbraw/zinc/87/64/58/486876458.db2.gz OQJGIRDPAUWNRZ-BDAKNGLRSA-N 2 0 197.282 -0.584 20 0 ABADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH3+] 86271543 486876543 /nfs/dbraw/zinc/87/65/43/486876543.db2.gz SRNAPMUTUHKIOU-NKWVEPMBSA-N 2 0 171.244 -0.941 20 0 ABADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]CC1 86271009 486876721 /nfs/dbraw/zinc/87/67/21/486876721.db2.gz OQJGIRDPAUWNRZ-IUCAKERBSA-N 2 0 197.282 -0.584 20 0 ABADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]CC1 86271007 486876742 /nfs/dbraw/zinc/87/67/42/486876742.db2.gz OQJGIRDPAUWNRZ-DTWKUNHWSA-N 2 0 197.282 -0.584 20 0 ABADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]CC1 86271006 486876906 /nfs/dbraw/zinc/87/69/06/486876906.db2.gz OQJGIRDPAUWNRZ-RKDXNWHRSA-N 2 0 197.282 -0.584 20 0 ABADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH3+] 86271545 486876923 /nfs/dbraw/zinc/87/69/23/486876923.db2.gz SRNAPMUTUHKIOU-BQBZGAKWSA-N 2 0 171.244 -0.941 20 0 ABADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH3+] 86271542 486877045 /nfs/dbraw/zinc/87/70/45/486877045.db2.gz SRNAPMUTUHKIOU-RNFRBKRXSA-N 2 0 171.244 -0.941 20 0 ABADRP [NH3+]CCN[C@H]1CCC[C@@H]([NH3+])C1 86403241 486878592 /nfs/dbraw/zinc/87/85/92/486878592.db2.gz ATCMPIOVLVFGIY-SFYZADRCSA-N 2 0 157.261 -0.195 20 0 ABADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCO)C1 86402634 486878728 /nfs/dbraw/zinc/87/87/28/486878728.db2.gz RVFIJUMEUAATLI-JGVFFNPUSA-N 2 0 158.245 -0.162 20 0 ABADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCO)C1 86402639 486878776 /nfs/dbraw/zinc/87/87/76/486878776.db2.gz RVFIJUMEUAATLI-SFYZADRCSA-N 2 0 158.245 -0.162 20 0 ABADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCO)C1 86402637 486879020 /nfs/dbraw/zinc/87/90/20/486879020.db2.gz RVFIJUMEUAATLI-YUMQZZPRSA-N 2 0 158.245 -0.162 20 0 ABADRP [NH3+]CCN[C@@H]1CCC[C@@H]([NH3+])C1 86403236 486879112 /nfs/dbraw/zinc/87/91/12/486879112.db2.gz ATCMPIOVLVFGIY-HTQZYQBOSA-N 2 0 157.261 -0.195 20 0 ABADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCO)C1 86402636 486879182 /nfs/dbraw/zinc/87/91/82/486879182.db2.gz RVFIJUMEUAATLI-HTQZYQBOSA-N 2 0 158.245 -0.162 20 0 ABADRP [NH3+]CCN[C@H]1CCC[C@H]([NH3+])C1 86403238 486879326 /nfs/dbraw/zinc/87/93/26/486879326.db2.gz ATCMPIOVLVFGIY-YUMQZZPRSA-N 2 0 157.261 -0.195 20 0 ABADRP [NH3+]CCN[C@@H]1CCC[C@H]([NH3+])C1 86403234 486879399 /nfs/dbraw/zinc/87/93/99/486879399.db2.gz ATCMPIOVLVFGIY-JGVFFNPUSA-N 2 0 157.261 -0.195 20 0 ABADRP [NH3+]CCOCC[N@@H+]1CCCOCC1 86435710 486879891 /nfs/dbraw/zinc/87/98/91/486879891.db2.gz SVIXVMVIPZKZBB-UHFFFAOYSA-N 2 0 188.271 -0.316 20 0 ABADRP COC[C@H](C)[N@H+](C)CCOCC[NH3+] 86435510 486879914 /nfs/dbraw/zinc/87/99/14/486879914.db2.gz BVAHWMUXALBQNB-VIFPVBQESA-N 2 0 190.287 -0.072 20 0 ABADRP COCCC[N@H+](C)CCOCC[NH3+] 86435712 486879955 /nfs/dbraw/zinc/87/99/55/486879955.db2.gz JYUICKFBQMHGIX-UHFFFAOYSA-N 2 0 190.287 -0.070 20 0 ABADRP COC[C@@H](C)[N@H+](C)CCOCC[NH3+] 86435511 486880029 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C[C@@H]1[NH2+]CC[C@@H](C)[C@H]1NC(=O)CC[NH3+] 307698533 487188471 /nfs/dbraw/zinc/18/84/71/487188471.db2.gz NCGLQJPYZIRLDL-KHQFGBGNSA-N 2 0 199.298 -0.162 20 0 ABADRP [NH3+]CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 307715277 487189481 /nfs/dbraw/zinc/18/94/81/487189481.db2.gz FWMLHJNMMQJULQ-BDAKNGLRSA-N 2 0 197.282 -0.312 20 0 ABADRP C[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1NC(=O)[C@@H](C)[NH3+] 307722226 487189519 /nfs/dbraw/zinc/18/95/19/487189519.db2.gz RXQTWMARLITQEQ-HXFLIBJXSA-N 2 0 199.298 -0.164 20 0 ABADRP C[NH2+][C@@H]1CCCN(C(=O)C2([NH3+])CC2)C1 307725401 487189532 /nfs/dbraw/zinc/18/95/32/487189532.db2.gz AZCQOQUERLZBPY-MRVPVSSYSA-N 2 0 197.282 -0.312 20 0 ABADRP O=C(NCC1CC[NH2+]CC1)[C@H]1CC[NH2+]1 307723962 487189563 /nfs/dbraw/zinc/18/95/63/487189563.db2.gz WSUWJNHGMDONBN-SECBINFHSA-N 2 0 197.282 -0.536 20 0 ABADRP C[C@@H]([NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C 307722225 487189578 /nfs/dbraw/zinc/18/95/78/487189578.db2.gz RXQTWMARLITQEQ-FNCVBFRFSA-N 2 0 199.298 -0.164 20 0 ABADRP 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