smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CC[NH2+]CC(=O)NCC[NH+](C)C 86156666 572876436 /nfs/dbraw/zinc/87/64/36/572876436.db2.gz PBNISPRTYBXUPN-UHFFFAOYSA-N 2 0 183.255 -1.113 20 30 AAEDRP NC(=[NH2+])N=NC1CC[NH+](CCO)CC1 819805769 583015073 /nfs/dbraw/zinc/01/50/73/583015073.db2.gz ALEZLFCGBPOZCZ-UHFFFAOYSA-N 2 0 199.258 -1.086 20 30 AAEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[C@H]1[NH3+] 834495211 583086177 /nfs/dbraw/zinc/08/61/77/583086177.db2.gz SWYSIQFCHXKCOE-RULNZFCNSA-N 2 0 194.238 -1.439 20 30 AAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[C@H]1[NH3+] 834495213 583086479 /nfs/dbraw/zinc/08/64/79/583086479.db2.gz SWYSIQFCHXKCOE-ULAWRXDQSA-N 2 0 194.238 -1.439 20 30 AAEDRP C[NH2+][C@@H](C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N 852828437 583211938 /nfs/dbraw/zinc/21/19/38/583211938.db2.gz XVKZVAXLPQKDHF-RNJXMRFFSA-N 2 0 196.254 -1.178 20 30 AAEDRP C[NH2+][C@@H](C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N 852828435 583212502 /nfs/dbraw/zinc/21/25/02/583212502.db2.gz XVKZVAXLPQKDHF-BIIVOSGPSA-N 2 0 196.254 -1.178 20 30 AAEDRP C[NH2+][C@@H](C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N 852828436 583212780 /nfs/dbraw/zinc/21/27/80/583212780.db2.gz XVKZVAXLPQKDHF-FXQIFTODSA-N 2 0 196.254 -1.178 20 30 AAEDRP C[NH2+][C@@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N 852828438 583212872 /nfs/dbraw/zinc/21/28/72/583212872.db2.gz XVKZVAXLPQKDHF-XLPZGREQSA-N 2 0 196.254 -1.178 20 30 AAEDRP C[C@@H]([NH3+])CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N 870940658 583349842 /nfs/dbraw/zinc/34/98/42/583349842.db2.gz LEPHIEJLBDHRIR-PRJMDXOYSA-N 2 0 196.254 -1.049 20 30 AAEDRP C[C@@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N 870940631 583350089 /nfs/dbraw/zinc/35/00/89/583350089.db2.gz LEPHIEJLBDHRIR-BWZBUEFSSA-N 2 0 196.254 -1.049 20 30 AAEDRP C[C@@H]([NH3+])CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N 870940655 583350126 /nfs/dbraw/zinc/35/01/26/583350126.db2.gz LEPHIEJLBDHRIR-CSMHCCOUSA-N 2 0 196.254 -1.049 20 30 AAEDRP C[C@@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N 870940657 583350232 /nfs/dbraw/zinc/35/02/32/583350232.db2.gz LEPHIEJLBDHRIR-GJMOJQLCSA-N 2 0 196.254 -1.049 20 30 AAEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCC[NH3+] 309023769 697775628 /nfs/dbraw/zinc/77/56/28/697775628.db2.gz YTFDUOPYQBHUHN-JGVFFNPUSA-N 2 0 196.254 -1.047 20 30 AAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCC[NH3+] 309023768 697775746 /nfs/dbraw/zinc/77/57/46/697775746.db2.gz YTFDUOPYQBHUHN-HTQZYQBOSA-N 2 0 196.254 -1.047 20 30 AAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCC[NH3+] 309023770 697775779 /nfs/dbraw/zinc/77/57/79/697775779.db2.gz YTFDUOPYQBHUHN-SFYZADRCSA-N 2 0 196.254 -1.047 20 30 AAEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCC[NH3+] 309023771 697775801 /nfs/dbraw/zinc/77/58/01/697775801.db2.gz YTFDUOPYQBHUHN-YUMQZZPRSA-N 2 0 196.254 -1.047 20 30 AAEDRP C[NH2+]CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N 389963161 698011533 /nfs/dbraw/zinc/01/15/33/698011533.db2.gz WMPVQCZPARTPIM-JGVFFNPUSA-N 2 0 196.254 -1.176 20 30 AAEDRP C[NH2+]CCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N 389963162 698011585 /nfs/dbraw/zinc/01/15/85/698011585.db2.gz WMPVQCZPARTPIM-SFYZADRCSA-N 2 0 196.254 -1.176 20 30 AAEDRP C[NH2+]CCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N 389963158 698011651 /nfs/dbraw/zinc/01/16/51/698011651.db2.gz WMPVQCZPARTPIM-HTQZYQBOSA-N 2 0 196.254 -1.176 20 30 AAEDRP C[NH2+]CCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N 389963163 698011657 /nfs/dbraw/zinc/01/16/57/698011657.db2.gz WMPVQCZPARTPIM-YUMQZZPRSA-N 2 0 196.254 -1.176 20 30 AAEDRP C#CC[NH2+]CC(=O)N1CC[NH2+]CC1 82635193 166021956 /nfs/dbraw/zinc/02/19/56/166021956.db2.gz YZGNRAUJCQJHSD-UHFFFAOYSA-N 2 0 181.239 -1.359 20 30 AAEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C[NH3+] 306288746 345171412 /nfs/dbraw/zinc/17/14/12/345171412.db2.gz NHUOJAQKJXOWLN-WDSKDSINSA-N 2 0 168.200 -1.827 20 30 AAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[NH3+] 306288745 345171548 /nfs/dbraw/zinc/17/15/48/345171548.db2.gz NHUOJAQKJXOWLN-RITPCOANSA-N 2 0 168.200 -1.827 20 30 AAEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C[NH3+] 306288743 345171698 /nfs/dbraw/zinc/17/16/98/345171698.db2.gz NHUOJAQKJXOWLN-NTSWFWBYSA-N 2 0 168.200 -1.827 20 30 AAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[NH3+] 306288744 345171730 /nfs/dbraw/zinc/17/17/30/345171730.db2.gz NHUOJAQKJXOWLN-PHDIDXHHSA-N 2 0 168.200 -1.827 20 30 AAEDRP C[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N 306304705 345184658 /nfs/dbraw/zinc/18/46/58/345184658.db2.gz INGZJPADKKYAIX-ACZMJKKPSA-N 2 0 182.227 -1.439 20 30 AAEDRP C[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N 306304708 345184691 /nfs/dbraw/zinc/18/46/91/345184691.db2.gz INGZJPADKKYAIX-XVMARJQXSA-N 2 0 182.227 -1.439 20 30 AAEDRP C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N 306304706 345184852 /nfs/dbraw/zinc/18/48/52/345184852.db2.gz INGZJPADKKYAIX-LYFYHCNISA-N 2 0 182.227 -1.439 20 30 AAEDRP C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N 306304707 345184932 /nfs/dbraw/zinc/18/49/32/345184932.db2.gz INGZJPADKKYAIX-RRKCRQDMSA-N 2 0 182.227 -1.439 20 30 AAEDRP C[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N 306639831 345507680 /nfs/dbraw/zinc/50/76/80/345507680.db2.gz INGZJPADKKYAIX-QYNIQEEDSA-N 2 0 182.227 -1.439 20 30 AAEDRP C[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N 306639832 345507686 /nfs/dbraw/zinc/50/76/86/345507686.db2.gz INGZJPADKKYAIX-VQVTYTSYSA-N 2 0 182.227 -1.439 20 30 AAEDRP C[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N 306639829 345508129 /nfs/dbraw/zinc/50/81/29/345508129.db2.gz INGZJPADKKYAIX-DSYKOEDSSA-N 2 0 182.227 -1.439 20 30 AAEDRP C[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N 306639830 345508294 /nfs/dbraw/zinc/50/82/94/345508294.db2.gz INGZJPADKKYAIX-FSDSQADBSA-N 2 0 182.227 -1.439 20 30 AAEDRP CC(C)([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N 306719692 345570811 /nfs/dbraw/zinc/57/08/11/345570811.db2.gz YIRYDHVPUQZLPT-NKWVEPMBSA-N 2 0 196.254 -1.049 20 30 AAEDRP CC(C)([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N 306719691 345570841 /nfs/dbraw/zinc/57/08/41/345570841.db2.gz YIRYDHVPUQZLPT-BQBZGAKWSA-N 2 0 196.254 -1.049 20 30 AAEDRP CC(C)([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N 306719694 345570866 /nfs/dbraw/zinc/57/08/66/345570866.db2.gz YIRYDHVPUQZLPT-RQJHMYQMSA-N 2 0 196.254 -1.049 20 30 AAEDRP CC(C)([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N 306719693 345570907 /nfs/dbraw/zinc/57/09/07/345570907.db2.gz YIRYDHVPUQZLPT-RNFRBKRXSA-N 2 0 196.254 -1.049 20 30 AAEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC[NH2+]1 307542128 346101879 /nfs/dbraw/zinc/10/18/79/346101879.db2.gz YRTSOJVUJAWIEF-RNJXMRFFSA-N 2 0 194.238 -1.424 20 30 AAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC[NH2+]1 307542127 346101904 /nfs/dbraw/zinc/10/19/04/346101904.db2.gz YRTSOJVUJAWIEF-PRJMDXOYSA-N 2 0 194.238 -1.424 20 30 AAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC[NH2+]1 307542126 346101963 /nfs/dbraw/zinc/10/19/63/346101963.db2.gz YRTSOJVUJAWIEF-BWZBUEFSSA-N 2 0 194.238 -1.424 20 30 AAEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC[NH2+]1 307542129 346102000 /nfs/dbraw/zinc/10/20/00/346102000.db2.gz YRTSOJVUJAWIEF-XLPZGREQSA-N 2 0 194.238 -1.424 20 30 AAEDRP C[C@H](C[NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N 306755160 629673100 /nfs/dbraw/zinc/67/31/00/629673100.db2.gz NHQFBWBUTLDXCY-PRJMDXOYSA-N 2 0 196.254 -1.191 20 30 AAEDRP CC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N 307083425 629738715 /nfs/dbraw/zinc/73/87/15/629738715.db2.gz QPQLHEFONVJGHI-XLPZGREQSA-N 2 0 196.254 -1.049 20 30 AAEDRP CC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N 307195049 629749845 /nfs/dbraw/zinc/74/98/45/629749845.db2.gz QPQLHEFONVJGHI-FXQIFTODSA-N 2 0 196.254 -1.049 20 30 AAEDRP CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N 307195050 629750111 /nfs/dbraw/zinc/75/01/11/629750111.db2.gz QPQLHEFONVJGHI-GJMOJQLCSA-N 2 0 196.254 -1.049 20 30 AAEDRP CC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N 307083420 630145073 /nfs/dbraw/zinc/14/50/73/630145073.db2.gz QPQLHEFONVJGHI-BWZBUEFSSA-N 2 0 196.254 -1.049 20 30 AAEDRP CC[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N 307083423 630145782 /nfs/dbraw/zinc/14/57/82/630145782.db2.gz QPQLHEFONVJGHI-RNJXMRFFSA-N 2 0 196.254 -1.049 20 30 AAEDRP CC[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N 307083421 630145952 /nfs/dbraw/zinc/14/59/52/630145952.db2.gz QPQLHEFONVJGHI-PRJMDXOYSA-N 2 0 196.254 -1.049 20 30 AAEDRP CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N 307195047 630153485 /nfs/dbraw/zinc/15/34/85/630153485.db2.gz QPQLHEFONVJGHI-BIIVOSGPSA-N 2 0 196.254 -1.049 20 30 AAEDRP CC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N 307195048 630154031 /nfs/dbraw/zinc/15/40/31/630154031.db2.gz QPQLHEFONVJGHI-CSMHCCOUSA-N 2 0 196.254 -1.049 20 30 AAEDRP C#CC[NH2+]CC(=O)N[C@H]1CC[NH2+]C1 911694906 630806237 /nfs/dbraw/zinc/80/62/37/630806237.db2.gz GFECUCPUWYOMLK-QMMMGPOBSA-N 2 0 181.239 -1.313 20 30 AAEDRP C#CC[NH2+]CC(=O)NCCC[NH2+]C 911676333 630806527 /nfs/dbraw/zinc/80/65/27/630806527.db2.gz HBXIFNOGFUMTBA-UHFFFAOYSA-N 2 0 183.255 -1.065 20 30 AAEDRP C#CC[NH2+]CC(=O)N[C@@H]1CC[NH2+]C1 911694905 630806909 /nfs/dbraw/zinc/80/69/09/630806909.db2.gz GFECUCPUWYOMLK-MRVPVSSYSA-N 2 0 181.239 -1.313 20 30 AAEDRP C#CC[NH2+]CC(=O)N1CC[C@@H]([NH3+])C1 911652137 630808202 /nfs/dbraw/zinc/80/82/02/630808202.db2.gz JSOKMOWGXJOCIO-MRVPVSSYSA-N 2 0 181.239 -1.231 20 30 AAEDRP C#CC[NH2+]CC(=O)NCC[NH2+]C 911747254 630809807 /nfs/dbraw/zinc/80/98/07/630809807.db2.gz XJICIEDEFKQFBD-UHFFFAOYSA-N 2 0 169.228 -1.455 20 30 AAEDRP C#CC[NH2+]CC(=O)NCC[NH2+]CC 911750444 630810075 /nfs/dbraw/zinc/81/00/75/630810075.db2.gz JSBDCJMSQSVVAE-UHFFFAOYSA-N 2 0 183.255 -1.065 20 30 AAEDRP C#CC[NH2+]CC(=O)N1CC[C@H]([NH3+])C1 911729806 630810693 /nfs/dbraw/zinc/81/06/93/630810693.db2.gz JSOKMOWGXJOCIO-QMMMGPOBSA-N 2 0 181.239 -1.231 20 30 AAEDRP C#CC[NH2+]CC(=O)NCC[NH3+] 86157061 630871386 /nfs/dbraw/zinc/87/13/86/630871386.db2.gz XDPNDHSVSWUJTB-UHFFFAOYSA-N 2 0 155.201 -1.716 20 30 AAEDRP C[C@H]([NH3+])CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N 306261632 631169509 /nfs/dbraw/zinc/16/95/09/631169509.db2.gz LEPHIEJLBDHRIR-RNJXMRFFSA-N 2 0 196.254 -1.049 20 30 AAEDRP C[C@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N 306261633 631169923 /nfs/dbraw/zinc/16/99/23/631169923.db2.gz LEPHIEJLBDHRIR-XLPZGREQSA-N 2 0 196.254 -1.049 20 30 AAEDRP C[N@@H+]1CC[C@](O)(CNC(N)=[NH2+])C1 306161720 757057374 /nfs/dbraw/zinc/05/73/74/757057374.db2.gz GMHXHYZJPCKYTI-ZETCQYMHSA-N 2 0 172.232 -1.674 20 30 AAEDRP C[N@@H+]1CC[C@@](O)(CNC(N)=[NH2+])C1 306161718 757057411 /nfs/dbraw/zinc/05/74/11/757057411.db2.gz GMHXHYZJPCKYTI-SSDOTTSWSA-N 2 0 172.232 -1.674 20 30 AAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1([NH3+])CC1 306161515 757057617 /nfs/dbraw/zinc/05/76/17/757057617.db2.gz GOCJKODWBCIYII-RQJHMYQMSA-N 2 0 194.238 -1.295 20 30 AAEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1([NH3+])CC1 306161503 757057932 /nfs/dbraw/zinc/05/79/32/757057932.db2.gz GOCJKODWBCIYII-NKWVEPMBSA-N 2 0 194.238 -1.295 20 30 AAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1([NH3+])CC1 306161509 757057999 /nfs/dbraw/zinc/05/79/99/757057999.db2.gz GOCJKODWBCIYII-RNFRBKRXSA-N 2 0 194.238 -1.295 20 30 AAEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1([NH3+])CC1 306161493 757058378 /nfs/dbraw/zinc/05/83/78/757058378.db2.gz GOCJKODWBCIYII-BQBZGAKWSA-N 2 0 194.238 -1.295 20 30 AAEDRP C[C@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N 306755157 757074056 /nfs/dbraw/zinc/07/40/56/757074056.db2.gz NHQFBWBUTLDXCY-BWZBUEFSSA-N 2 0 196.254 -1.191 20 30 AAEDRP C[C@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N 306755159 757075473 /nfs/dbraw/zinc/07/54/73/757075473.db2.gz NHQFBWBUTLDXCY-GJMOJQLCSA-N 2 0 196.254 -1.191 20 30 AAEDRP C[C@H](C[NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N 306755158 757076521 /nfs/dbraw/zinc/07/65/21/757076521.db2.gz NHQFBWBUTLDXCY-CSMHCCOUSA-N 2 0 196.254 -1.191 20 30 AAEDRP C#CC[NH2+]CC(=O)NC[C@@H](C)[NH3+] 1121936364 757828531 /nfs/dbraw/zinc/82/85/31/757828531.db2.gz BRKPOFAVOTUMLS-SSDOTTSWSA-N 2 0 169.228 -1.327 20 30 AAEDRP C#CC[NH2+]CC(=O)NC[C@H](C)[NH3+] 1121936365 757829381 /nfs/dbraw/zinc/82/93/81/757829381.db2.gz BRKPOFAVOTUMLS-ZETCQYMHSA-N 2 0 169.228 -1.327 20 30 AAEDRP C#CC[NH2+]CC(=O)N(C)CC[NH3+] 1121989419 757829421 /nfs/dbraw/zinc/82/94/21/757829421.db2.gz JTBIZRQJCGTRAQ-UHFFFAOYSA-N 2 0 169.228 -1.374 20 30 AAEDRP C#CC[NH2+]CC(=O)N[C@@H](C)C[NH3+] 1122017330 757830576 /nfs/dbraw/zinc/83/05/76/757830576.db2.gz JVXWPEWRBXIOGP-ZETCQYMHSA-N 2 0 169.228 -1.327 20 30 AAEDRP C#CC[NH2+]CC(=O)N[C@H]1C[NH2+]C[C@H]1O 1122155729 757833972 /nfs/dbraw/zinc/83/39/72/757833972.db2.gz BGAQPMLWPKYOHX-JGVFFNPUSA-N 2 0 197.238 -2.342 20 30 AAEDRP C#CC[NH2+]CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 1122185898 757834881 /nfs/dbraw/zinc/83/48/81/757834881.db2.gz ZJXCXHALABCRPY-IUCAKERBSA-N 2 0 193.250 -1.218 20 30 AAEDRP C#CC[NH2+]CC(=O)N(C)CC[NH2+]C 86157415 1169122077 /nfs/dbraw/zinc/12/20/77/1169122077.db2.gz WBQZYNYJXYHKJU-UHFFFAOYSA-N 2 0 183.255 -1.113 20 30 AAEDRP C[NH2+]CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N 306417358 1169478645 /nfs/dbraw/zinc/47/86/45/1169478645.db2.gz RYZWSFUCMQMRAM-RQJHMYQMSA-N 2 0 182.227 -1.566 20 30 AAEDRP C[NH2+]CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N 306417356 1169478757 /nfs/dbraw/zinc/47/87/57/1169478757.db2.gz RYZWSFUCMQMRAM-NKWVEPMBSA-N 2 0 182.227 -1.566 20 30 AAEDRP C[NH2+]CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N 306417355 1169479084 /nfs/dbraw/zinc/47/90/84/1169479084.db2.gz RYZWSFUCMQMRAM-BQBZGAKWSA-N 2 0 182.227 -1.566 20 30 AAEDRP C[NH2+]CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N 306417357 1169479209 /nfs/dbraw/zinc/47/92/09/1169479209.db2.gz RYZWSFUCMQMRAM-RNFRBKRXSA-N 2 0 182.227 -1.566 20 30 AAEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CC[NH3+] 307539868 1169525663 /nfs/dbraw/zinc/52/56/63/1169525663.db2.gz QQQZWQKPPNXKDX-BQBZGAKWSA-N 2 0 182.227 -1.437 20 30 AAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[NH3+] 307539870 1169526459 /nfs/dbraw/zinc/52/64/59/1169526459.db2.gz QQQZWQKPPNXKDX-RNFRBKRXSA-N 2 0 182.227 -1.437 20 30 AAEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CC[NH3+] 307539869 1169526477 /nfs/dbraw/zinc/52/64/77/1169526477.db2.gz QQQZWQKPPNXKDX-NKWVEPMBSA-N 2 0 182.227 -1.437 20 30 AAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[NH3+] 307539871 1169526592 /nfs/dbraw/zinc/52/65/92/1169526592.db2.gz QQQZWQKPPNXKDX-RQJHMYQMSA-N 2 0 182.227 -1.437 20 30 AAEDRP C#CC[NH2+]CC(=O)NC[C@H](C)C[NH3+] 1263103925 1170138482 /nfs/dbraw/zinc/13/84/82/1170138482.db2.gz QWUFLSGFFWUXKA-MRVPVSSYSA-N 2 0 183.255 -1.080 20 30 AAEDRP C#CC[NH2+]CC(=O)NCC1C[NH2+]C1 1263104557 1170138737 /nfs/dbraw/zinc/13/87/37/1170138737.db2.gz LZJBECMKZPSWKV-UHFFFAOYSA-N 2 0 181.239 -1.455 20 30 AAEDRP C#CC[NH2+]CC(=O)NC[C@@H](C)C[NH3+] 1263103926 1170139556 /nfs/dbraw/zinc/13/95/56/1170139556.db2.gz QWUFLSGFFWUXKA-QMMMGPOBSA-N 2 0 183.255 -1.080 20 30 AAEDRP C#CC[NH2+]CC(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1340298650 1170425413 /nfs/dbraw/zinc/42/54/13/1170425413.db2.gz DZGHUXOCHBMGSN-MBTKJCJQSA-N 2 0 193.250 -1.457 20 30 AAEDRP C#CC[NH2+]CC(=O)N[C@H](C)C[NH2+]C 1340658565 1170427966 /nfs/dbraw/zinc/42/79/66/1170427966.db2.gz AZMWMWQSYFXBPZ-MRVPVSSYSA-N 2 0 183.255 -1.067 20 30 AAEDRP C#CC[NH2+]CC(=O)N[C@@H](C)C[NH2+]C 1340658567 1170428986 /nfs/dbraw/zinc/42/89/86/1170428986.db2.gz AZMWMWQSYFXBPZ-QMMMGPOBSA-N 2 0 183.255 -1.067 20 30 AAEDRP C#CC[NH2+]CC(=O)NC[C@H](O)C[NH3+] 1341383447 1170434811 /nfs/dbraw/zinc/43/48/11/1170434811.db2.gz NCALLPCRDSQLET-SSDOTTSWSA-N 2 0 185.227 -2.355 20 30 AAEDRP C#CC[NH2+]CC(=O)NC[C@@H](O)C[NH3+] 1341383451 1170436013 /nfs/dbraw/zinc/43/60/13/1170436013.db2.gz NCALLPCRDSQLET-ZETCQYMHSA-N 2 0 185.227 -2.355 20 30 AAEDRP C#CC[NH2+]CC(=O)NCC1(O)C[NH2+]C1 1342085149 1170442716 /nfs/dbraw/zinc/44/27/16/1170442716.db2.gz GXBBGIPBRNMTTL-UHFFFAOYSA-N 2 0 197.238 -2.340 20 30 AAEDRP C#CC[NH2+]CC(=O)N[C@H](C)C[NH3+] 1353613025 1170541042 /nfs/dbraw/zinc/54/10/42/1170541042.db2.gz JVXWPEWRBXIOGP-SSDOTTSWSA-N 2 0 169.228 -1.327 20 30 AAEDRP C#CC[NH2+]CC(=O)NCC1([NH3+])CC1 1355297481 1170554278 /nfs/dbraw/zinc/55/42/78/1170554278.db2.gz DMPKWNKBSMOFLN-UHFFFAOYSA-N 2 0 181.239 -1.183 20 30 AAEDRP C#CC[NH2+]CC(=O)N[C@H]1C[C@H]([NH3+])C1 1515627773 1170614852 /nfs/dbraw/zinc/61/48/52/1170614852.db2.gz XWLSUCJSOXEEBR-ZKCHVHJHSA-N 2 0 181.239 -1.185 20 30 AAEDRP